
def load_dfitm(dbinstance):

    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=1.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-8.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-6.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-6.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-8.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-6.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-6.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-8.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-7.1818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-8.2291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-8.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-8.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.2909)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=2.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=3.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.7941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=3.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.2095)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.8183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6412)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.7878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=2.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0007)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6284)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=1.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.2020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.8725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=3.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.0320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.5205)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=2.5801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3762)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.9612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=3.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=2.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9512)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8416)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2887)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4474)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6784)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9284)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2283)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=2.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=2.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=3.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=2.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-8.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-8.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-8.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=1.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-8.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6957)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=3.0253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6926)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-8.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4526)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=2.3793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1944)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=1.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=3.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=2.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=1.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=3.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=2.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.8591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=1.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=3.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.9918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2451)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=2.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9006)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-9.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=2.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-9.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-6.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-6.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=1.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=2.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.2255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2130)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=1.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=2.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=2.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.9257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0533)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8829)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8224)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=1.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=3.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=2.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1373)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8555)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=2.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=1.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=1.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=2.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8378)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2324)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5959)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6946)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-9.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=1.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.9209)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4300)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=2.8646)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-9.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=2.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-9.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=1.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=2.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=2.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=3.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=1.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=3.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=2.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.4292)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3224)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=3.1652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-9.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=2.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.9466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.9571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.9545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.4298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='004GLU-063LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005ASP-008SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='005LEU-008VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007GLN-010ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='007VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008ILE-012LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='008TRP-251HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='011ILE-014PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='012LEU-085ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014LYS-018GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='014VAL-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015GLN-018LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='015LEU-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017ASN-021LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='017LEU-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='019LEU-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='023LYS-146SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024PHE-028ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='024THR-041GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025GLY-029SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='025ILE-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='027VAL-068GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='029GLU-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='030TRP-178GLY-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033ASN-036TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='033VAL-115VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='035TRP-056ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='037PRO-041ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038ALA-041GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='038GLU-047GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='039SER-046MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-048VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='040THR-049GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041GLY-045LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='041LEU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='042LEU-047ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044SER-047GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='044TRP-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='048GLU-052LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='051ALA-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='052CYS-056ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='054ARG-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='055ASN-058GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060LEU-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='060TYR-064LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='061VAL-064TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='062LEU-066LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064GLN-067ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='064TYR-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='066PHE-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='068ASP-072GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='071GLU-075ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072ASN-075ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='072THR-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081ASN-084GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='081LEU-084LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='082LEU-106LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='084LEU-088MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087ALA-171PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='087LEU-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='088PHE-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='089MET-093GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='092SER-096ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095GLN-183ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='095LYS-107ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='097GLU-100THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='102GLN-106ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='104VAL-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108LYS-112TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='108TYR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112SER-115ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='112TRP-115ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='113TRP-124HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='115GLN-118ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='119MET-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121LYS-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='121VAL-155THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='126VAL-129ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='133LYS-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='134GLU-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='135ARG-152ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='137SER-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='140SER-144THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='142ALA-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='143VAL-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='146PHE-150LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='150LYS-158LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='157LYS-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='162ALA-176GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='167GLY-232GLY-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='168GLY-172LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='171ALA-175GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='172GLY-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='197TYR-201LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='199SER-202TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-208GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='205THR-209LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='BBI', rxn='228ARG-232GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3833)
