| <ForceField> | |
| <Info> | |
| <DateGenerated>2021-01-26</DateGenerated> | |
| <Source Source="leaprc.protein.ff14SBonlysc" md5hash="90a6e56450fc04da9136e90e25d04cf5" sourcePackage="AmberTools" sourcePackageVersion="20.15">leaprc.protein.ff14SBonlysc</Source> | |
| <Reference>Maier, J.A., Martinez, C., Kasavajhala, K., Wickstrom, L., Hauser, K.E., and Simmerling, C. (2015). ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB. J. Chem. Theory Comput. 11, 3696-3713.</Reference> | |
| <Reference>Hornak, V., Abel, R., Okur, A., Strockbine, B., Roitberg, A., and Simmerling, C. (2006). Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins 65, 712-725.</Reference> | |
| </Info> | |
| <AtomTypes> | |
| <Type element="C" name="protein-C" class="C" mass="12.01"/> | |
| <Type element="C" name="protein-CA" class="CA" mass="12.01"/> | |
| <Type element="C" name="protein-CB" class="CB" mass="12.01"/> | |
| <Type element="C" name="protein-CC" class="CC" mass="12.01"/> | |
| <Type element="C" name="protein-CN" class="CN" mass="12.01"/> | |
| <Type element="C" name="protein-CR" class="CR" mass="12.01"/> | |
| <Type element="C" name="protein-CT" class="CT" mass="12.01"/> | |
| <Type element="C" name="protein-CV" class="CV" mass="12.01"/> | |
| <Type element="C" name="protein-CW" class="CW" mass="12.01"/> | |
| <Type element="C" name="protein-C*" class="C*" mass="12.01"/> | |
| <Type element="C" name="protein-CX" class="CX" mass="12.01"/> | |
| <Type element="H" name="protein-H" class="H" mass="1.008"/> | |
| <Type element="H" name="protein-HC" class="HC" mass="1.008"/> | |
| <Type element="H" name="protein-H1" class="H1" mass="1.008"/> | |
| <Type element="H" name="protein-HA" class="HA" mass="1.008"/> | |
| <Type element="H" name="protein-H4" class="H4" mass="1.008"/> | |
| <Type element="H" name="protein-H5" class="H5" mass="1.008"/> | |
| <Type element="H" name="protein-HO" class="HO" mass="1.008"/> | |
| <Type element="H" name="protein-HS" class="HS" mass="1.008"/> | |
| <Type element="H" name="protein-HP" class="HP" mass="1.008"/> | |
| <Type element="N" name="protein-N" class="N" mass="14.01"/> | |
| <Type element="N" name="protein-NA" class="NA" mass="14.01"/> | |
| <Type element="N" name="protein-NB" class="NB" mass="14.01"/> | |
| <Type element="N" name="protein-N2" class="N2" mass="14.01"/> | |
| <Type element="N" name="protein-N3" class="N3" mass="14.01"/> | |
| <Type element="O" name="protein-O" class="O" mass="16.0"/> | |
| <Type element="O" name="protein-O2" class="O2" mass="16.0"/> | |
| <Type element="O" name="protein-OH" class="OH" mass="16.0"/> | |
| <Type element="S" name="protein-S" class="S" mass="32.06"/> | |
| <Type element="S" name="protein-SH" class="SH" mass="32.06"/> | |
| <Type element="C" name="protein-CO" class="CO" mass="12.01"/> | |
| <Type element="C" name="protein-2C" class="2C" mass="12.01"/> | |
| <Type element="C" name="protein-3C" class="3C" mass="12.01"/> | |
| <Type element="C" name="protein-C8" class="C8" mass="12.01"/> | |
| </AtomTypes> | |
| <Residues> | |
| <Residue name="ALA"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0337"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0823"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.1825"/> | |
| <Atom name="HB1" type="protein-HC" charge="0.0603"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0603"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0603"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB1"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="ARG"> | |
| <Atom name="N" type="protein-N" charge="-0.3479"/> | |
| <Atom name="H" type="protein-H" charge="0.2747"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2637"/> | |
| <Atom name="HA" type="protein-H1" charge="0.156"/> | |
| <Atom name="CB" type="protein-C8" charge="-0.0007"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0327"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0327"/> | |
| <Atom name="CG" type="protein-C8" charge="0.039"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0285"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0285"/> | |
| <Atom name="CD" type="protein-C8" charge="0.0486"/> | |
| <Atom name="HD2" type="protein-H1" charge="0.0687"/> | |
| <Atom name="HD3" type="protein-H1" charge="0.0687"/> | |
| <Atom name="NE" type="protein-N2" charge="-0.5295"/> | |
| <Atom name="HE" type="protein-H" charge="0.3456"/> | |
| <Atom name="CZ" type="protein-CA" charge="0.8076"/> | |
| <Atom name="NH1" type="protein-N2" charge="-0.8627"/> | |
| <Atom name="HH11" type="protein-H" charge="0.4478"/> | |
| <Atom name="HH12" type="protein-H" charge="0.4478"/> | |
| <Atom name="NH2" type="protein-N2" charge="-0.8627"/> | |
| <Atom name="HH21" type="protein-H" charge="0.4478"/> | |
| <Atom name="HH22" type="protein-H" charge="0.4478"/> | |
| <Atom name="C" type="protein-C" charge="0.7341"/> | |
| <Atom name="O" type="protein-O" charge="-0.5894"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="NE"/> | |
| <Bond atomName1="NE" atomName2="HE"/> | |
| <Bond atomName1="NE" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="NH1"/> | |
| <Bond atomName1="CZ" atomName2="NH2"/> | |
| <Bond atomName1="NH1" atomName2="HH11"/> | |
| <Bond atomName1="NH1" atomName2="HH12"/> | |
| <Bond atomName1="NH2" atomName2="HH21"/> | |
| <Bond atomName1="NH2" atomName2="HH22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="ASH"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0341"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0864"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0316"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0488"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0488"/> | |
| <Atom name="CG" type="protein-C" charge="0.6462"/> | |
| <Atom name="OD1" type="protein-O" charge="-0.5554"/> | |
| <Atom name="OD2" type="protein-OH" charge="-0.6376"/> | |
| <Atom name="HD2" type="protein-HO" charge="0.4747"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="OD2"/> | |
| <Bond atomName1="OD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="ASN"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0143"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1048"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.2041"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0797"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0797"/> | |
| <Atom name="CG" type="protein-C" charge="0.713"/> | |
| <Atom name="OD1" type="protein-O" charge="-0.5931"/> | |
| <Atom name="ND2" type="protein-N" charge="-0.9191"/> | |
| <Atom name="HD21" type="protein-H" charge="0.4196"/> | |
| <Atom name="HD22" type="protein-H" charge="0.4196"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="ND2"/> | |
| <Bond atomName1="ND2" atomName2="HD21"/> | |
| <Bond atomName1="ND2" atomName2="HD22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="ASP"> | |
| <Atom name="N" type="protein-N" charge="-0.5163"/> | |
| <Atom name="H" type="protein-H" charge="0.2936"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0381"/> | |
| <Atom name="HA" type="protein-H1" charge="0.088"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0303"/> | |
| <Atom name="HB2" type="protein-HC" charge="-0.0122"/> | |
| <Atom name="HB3" type="protein-HC" charge="-0.0122"/> | |
| <Atom name="CG" type="protein-CO" charge="0.7994"/> | |
| <Atom name="OD1" type="protein-O2" charge="-0.8014"/> | |
| <Atom name="OD2" type="protein-O2" charge="-0.8014"/> | |
| <Atom name="C" type="protein-C" charge="0.5366"/> | |
| <Atom name="O" type="protein-O" charge="-0.5819"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="OD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="CYM"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0351"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0508"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.2413"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.1122"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.1122"/> | |
| <Atom name="SG" type="protein-SH" charge="-0.8844"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="SG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="CYS"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0213"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1124"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.1231"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.1112"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.1112"/> | |
| <Atom name="SG" type="protein-SH" charge="-0.3119"/> | |
| <Atom name="HG" type="protein-HS" charge="0.1933"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="SG"/> | |
| <Bond atomName1="SG" atomName2="HG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="CYX"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0429"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0766"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.079"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.091"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.091"/> | |
| <Atom name="SG" type="protein-S" charge="-0.1081"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="SG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="SG"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="GLH"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0145"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0779"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0071"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0256"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0256"/> | |
| <Atom name="CG" type="protein-2C" charge="-0.0174"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.043"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.043"/> | |
| <Atom name="CD" type="protein-C" charge="0.6801"/> | |
| <Atom name="OE1" type="protein-O" charge="-0.5838"/> | |
| <Atom name="OE2" type="protein-OH" charge="-0.6511"/> | |
| <Atom name="HE2" type="protein-HO" charge="0.4641"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="OE1"/> | |
| <Bond atomName1="CD" atomName2="OE2"/> | |
| <Bond atomName1="OE2" atomName2="HE2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="GLN"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0031"/> | |
| <Atom name="HA" type="protein-H1" charge="0.085"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0036"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0171"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0171"/> | |
| <Atom name="CG" type="protein-2C" charge="-0.0645"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0352"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0352"/> | |
| <Atom name="CD" type="protein-C" charge="0.6951"/> | |
| <Atom name="OE1" type="protein-O" charge="-0.6086"/> | |
| <Atom name="NE2" type="protein-N" charge="-0.9407"/> | |
| <Atom name="HE21" type="protein-H" charge="0.4251"/> | |
| <Atom name="HE22" type="protein-H" charge="0.4251"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="OE1"/> | |
| <Bond atomName1="CD" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE21"/> | |
| <Bond atomName1="NE2" atomName2="HE22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="GLU"> | |
| <Atom name="N" type="protein-N" charge="-0.5163"/> | |
| <Atom name="H" type="protein-H" charge="0.2936"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0397"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1105"/> | |
| <Atom name="CB" type="protein-2C" charge="0.056"/> | |
| <Atom name="HB2" type="protein-HC" charge="-0.0173"/> | |
| <Atom name="HB3" type="protein-HC" charge="-0.0173"/> | |
| <Atom name="CG" type="protein-2C" charge="0.0136"/> | |
| <Atom name="HG2" type="protein-HC" charge="-0.0425"/> | |
| <Atom name="HG3" type="protein-HC" charge="-0.0425"/> | |
| <Atom name="CD" type="protein-CO" charge="0.8054"/> | |
| <Atom name="OE1" type="protein-O2" charge="-0.8188"/> | |
| <Atom name="OE2" type="protein-O2" charge="-0.8188"/> | |
| <Atom name="C" type="protein-C" charge="0.5366"/> | |
| <Atom name="O" type="protein-O" charge="-0.5819"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="OE1"/> | |
| <Bond atomName1="CD" atomName2="OE2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="GLY"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0252"/> | |
| <Atom name="HA2" type="protein-H1" charge="0.0698"/> | |
| <Atom name="HA3" type="protein-H1" charge="0.0698"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA2"/> | |
| <Bond atomName1="CA" atomName2="HA3"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="HID"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0188"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0881"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0462"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0402"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0402"/> | |
| <Atom name="CG" type="protein-CC" charge="-0.0266"/> | |
| <Atom name="ND1" type="protein-NA" charge="-0.3811"/> | |
| <Atom name="HD1" type="protein-H" charge="0.3649"/> | |
| <Atom name="CE1" type="protein-CR" charge="0.2057"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.1392"/> | |
| <Atom name="NE2" type="protein-NB" charge="-0.5727"/> | |
| <Atom name="CD2" type="protein-CV" charge="0.1292"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.1147"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="HD1"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="HIE"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0581"/> | |
| <Atom name="HA" type="protein-H1" charge="0.136"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0074"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0367"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0367"/> | |
| <Atom name="CG" type="protein-CC" charge="0.1868"/> | |
| <Atom name="ND1" type="protein-NB" charge="-0.5432"/> | |
| <Atom name="CE1" type="protein-CR" charge="0.1635"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.1435"/> | |
| <Atom name="NE2" type="protein-NA" charge="-0.2795"/> | |
| <Atom name="HE2" type="protein-H" charge="0.3339"/> | |
| <Atom name="CD2" type="protein-CW" charge="-0.2207"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.1862"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="HIP"> | |
| <Atom name="N" type="protein-N" charge="-0.3479"/> | |
| <Atom name="H" type="protein-H" charge="0.2747"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1354"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1212"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0414"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.081"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.081"/> | |
| <Atom name="CG" type="protein-CC" charge="-0.0012"/> | |
| <Atom name="ND1" type="protein-NA" charge="-0.1513"/> | |
| <Atom name="HD1" type="protein-H" charge="0.3866"/> | |
| <Atom name="CE1" type="protein-CR" charge="-0.017"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.2681"/> | |
| <Atom name="NE2" type="protein-NA" charge="-0.1718"/> | |
| <Atom name="HE2" type="protein-H" charge="0.3911"/> | |
| <Atom name="CD2" type="protein-CW" charge="-0.1141"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.2317"/> | |
| <Atom name="C" type="protein-C" charge="0.7341"/> | |
| <Atom name="O" type="protein-O" charge="-0.5894"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="HD1"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="HYP"> | |
| <Atom name="N" type="protein-N" charge="-0.2548"/> | |
| <Atom name="CD" type="protein-CT" charge="0.0595"/> | |
| <Atom name="HD22" type="protein-H1" charge="0.07"/> | |
| <Atom name="HD23" type="protein-H1" charge="0.07"/> | |
| <Atom name="CG" type="protein-CT" charge="0.04"/> | |
| <Atom name="HG" type="protein-H1" charge="0.0416"/> | |
| <Atom name="OD1" type="protein-OH" charge="-0.6134"/> | |
| <Atom name="HD1" type="protein-HO" charge="0.3851"/> | |
| <Atom name="CB" type="protein-CT" charge="0.0203"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0426"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0426"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0047"/> | |
| <Atom name="HA" type="protein-H1" charge="0.077"/> | |
| <Atom name="C" type="protein-C" charge="0.5896"/> | |
| <Atom name="O" type="protein-O" charge="-0.5748"/> | |
| <Bond atomName1="N" atomName2="CD"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CD" atomName2="HD22"/> | |
| <Bond atomName1="CD" atomName2="HD23"/> | |
| <Bond atomName1="CD" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="CB"/> | |
| <Bond atomName1="OD1" atomName2="HD1"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="ILE"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0597"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0869"/> | |
| <Atom name="CB" type="protein-3C" charge="0.1303"/> | |
| <Atom name="HB" type="protein-HC" charge="0.0187"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.3204"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.0882"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.0882"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.0882"/> | |
| <Atom name="CG1" type="protein-2C" charge="-0.043"/> | |
| <Atom name="HG12" type="protein-HC" charge="0.0236"/> | |
| <Atom name="HG13" type="protein-HC" charge="0.0236"/> | |
| <Atom name="CD1" type="protein-CT" charge="-0.066"/> | |
| <Atom name="HD11" type="protein-HC" charge="0.0186"/> | |
| <Atom name="HD12" type="protein-HC" charge="0.0186"/> | |
| <Atom name="HD13" type="protein-HC" charge="0.0186"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CB" atomName2="CG1"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="CG1" atomName2="HG12"/> | |
| <Bond atomName1="CG1" atomName2="HG13"/> | |
| <Bond atomName1="CG1" atomName2="CD1"/> | |
| <Bond atomName1="CD1" atomName2="HD11"/> | |
| <Bond atomName1="CD1" atomName2="HD12"/> | |
| <Bond atomName1="CD1" atomName2="HD13"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="LEU"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0518"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0922"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.1102"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0457"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0457"/> | |
| <Atom name="CG" type="protein-3C" charge="0.3531"/> | |
| <Atom name="HG" type="protein-HC" charge="-0.0361"/> | |
| <Atom name="CD1" type="protein-CT" charge="-0.4121"/> | |
| <Atom name="HD11" type="protein-HC" charge="0.1"/> | |
| <Atom name="HD12" type="protein-HC" charge="0.1"/> | |
| <Atom name="HD13" type="protein-HC" charge="0.1"/> | |
| <Atom name="CD2" type="protein-CT" charge="-0.4121"/> | |
| <Atom name="HD21" type="protein-HC" charge="0.1"/> | |
| <Atom name="HD22" type="protein-HC" charge="0.1"/> | |
| <Atom name="HD23" type="protein-HC" charge="0.1"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD11"/> | |
| <Bond atomName1="CD1" atomName2="HD12"/> | |
| <Bond atomName1="CD1" atomName2="HD13"/> | |
| <Bond atomName1="CD2" atomName2="HD21"/> | |
| <Bond atomName1="CD2" atomName2="HD22"/> | |
| <Bond atomName1="CD2" atomName2="HD23"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="LYN"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.07206"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0994"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.04845"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.034"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.034"/> | |
| <Atom name="CG" type="protein-CT" charge="0.06612"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.01041"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.01041"/> | |
| <Atom name="CD" type="protein-CT" charge="-0.03768"/> | |
| <Atom name="HD2" type="protein-HC" charge="0.01155"/> | |
| <Atom name="HD3" type="protein-HC" charge="0.01155"/> | |
| <Atom name="CE" type="protein-CT" charge="0.32604"/> | |
| <Atom name="HE2" type="protein-HP" charge="-0.03358"/> | |
| <Atom name="HE3" type="protein-HP" charge="-0.03358"/> | |
| <Atom name="NZ" type="protein-N3" charge="-1.03581"/> | |
| <Atom name="HZ2" type="protein-H" charge="0.38604"/> | |
| <Atom name="HZ3" type="protein-H" charge="0.38604"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="CE"/> | |
| <Bond atomName1="CE" atomName2="HE2"/> | |
| <Bond atomName1="CE" atomName2="HE3"/> | |
| <Bond atomName1="CE" atomName2="NZ"/> | |
| <Bond atomName1="NZ" atomName2="HZ2"/> | |
| <Bond atomName1="NZ" atomName2="HZ3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="LYS"> | |
| <Atom name="N" type="protein-N" charge="-0.3479"/> | |
| <Atom name="H" type="protein-H" charge="0.2747"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.24"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1426"/> | |
| <Atom name="CB" type="protein-C8" charge="-0.0094"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0362"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0362"/> | |
| <Atom name="CG" type="protein-C8" charge="0.0187"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0103"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0103"/> | |
| <Atom name="CD" type="protein-C8" charge="-0.0479"/> | |
| <Atom name="HD2" type="protein-HC" charge="0.0621"/> | |
| <Atom name="HD3" type="protein-HC" charge="0.0621"/> | |
| <Atom name="CE" type="protein-C8" charge="-0.0143"/> | |
| <Atom name="HE2" type="protein-HP" charge="0.1135"/> | |
| <Atom name="HE3" type="protein-HP" charge="0.1135"/> | |
| <Atom name="NZ" type="protein-N3" charge="-0.3854"/> | |
| <Atom name="HZ1" type="protein-H" charge="0.34"/> | |
| <Atom name="HZ2" type="protein-H" charge="0.34"/> | |
| <Atom name="HZ3" type="protein-H" charge="0.34"/> | |
| <Atom name="C" type="protein-C" charge="0.7341"/> | |
| <Atom name="O" type="protein-O" charge="-0.5894"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="CE"/> | |
| <Bond atomName1="CE" atomName2="HE2"/> | |
| <Bond atomName1="CE" atomName2="HE3"/> | |
| <Bond atomName1="CE" atomName2="NZ"/> | |
| <Bond atomName1="NZ" atomName2="HZ1"/> | |
| <Bond atomName1="NZ" atomName2="HZ2"/> | |
| <Bond atomName1="NZ" atomName2="HZ3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="MET"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0237"/> | |
| <Atom name="HA" type="protein-H1" charge="0.088"/> | |
| <Atom name="CB" type="protein-2C" charge="0.0342"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0241"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0241"/> | |
| <Atom name="CG" type="protein-2C" charge="0.0018"/> | |
| <Atom name="HG2" type="protein-H1" charge="0.044"/> | |
| <Atom name="HG3" type="protein-H1" charge="0.044"/> | |
| <Atom name="SD" type="protein-S" charge="-0.2737"/> | |
| <Atom name="CE" type="protein-CT" charge="-0.0536"/> | |
| <Atom name="HE1" type="protein-H1" charge="0.0684"/> | |
| <Atom name="HE2" type="protein-H1" charge="0.0684"/> | |
| <Atom name="HE3" type="protein-H1" charge="0.0684"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="SD"/> | |
| <Bond atomName1="SD" atomName2="CE"/> | |
| <Bond atomName1="CE" atomName2="HE1"/> | |
| <Bond atomName1="CE" atomName2="HE2"/> | |
| <Bond atomName1="CE" atomName2="HE3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="PHE"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0024"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0978"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0343"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0295"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0295"/> | |
| <Atom name="CG" type="protein-CA" charge="0.0118"/> | |
| <Atom name="CD1" type="protein-CA" charge="-0.1256"/> | |
| <Atom name="HD1" type="protein-HA" charge="0.133"/> | |
| <Atom name="CE1" type="protein-CA" charge="-0.1704"/> | |
| <Atom name="HE1" type="protein-HA" charge="0.143"/> | |
| <Atom name="CZ" type="protein-CA" charge="-0.1072"/> | |
| <Atom name="HZ" type="protein-HA" charge="0.1297"/> | |
| <Atom name="CE2" type="protein-CA" charge="-0.1704"/> | |
| <Atom name="HE2" type="protein-HA" charge="0.143"/> | |
| <Atom name="CD2" type="protein-CA" charge="-0.1256"/> | |
| <Atom name="HD2" type="protein-HA" charge="0.133"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="HZ"/> | |
| <Bond atomName1="CZ" atomName2="CE2"/> | |
| <Bond atomName1="CE2" atomName2="HE2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="PRO"> | |
| <Atom name="N" type="protein-N" charge="-0.2548"/> | |
| <Atom name="CD" type="protein-CT" charge="0.0192"/> | |
| <Atom name="HD2" type="protein-H1" charge="0.0391"/> | |
| <Atom name="HD3" type="protein-H1" charge="0.0391"/> | |
| <Atom name="CG" type="protein-CT" charge="0.0189"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0213"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0213"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.007"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0253"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0253"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0266"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0641"/> | |
| <Atom name="C" type="protein-C" charge="0.5896"/> | |
| <Atom name="O" type="protein-O" charge="-0.5748"/> | |
| <Bond atomName1="N" atomName2="CD"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CB"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="SER"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0249"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0843"/> | |
| <Atom name="CB" type="protein-2C" charge="0.2117"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.0352"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.0352"/> | |
| <Atom name="OG" type="protein-OH" charge="-0.6546"/> | |
| <Atom name="HG" type="protein-HO" charge="0.4275"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="OG"/> | |
| <Bond atomName1="OG" atomName2="HG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="THR"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0389"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1007"/> | |
| <Atom name="CB" type="protein-3C" charge="0.3654"/> | |
| <Atom name="HB" type="protein-H1" charge="0.0043"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.2438"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.0642"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.0642"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.0642"/> | |
| <Atom name="OG1" type="protein-OH" charge="-0.6761"/> | |
| <Atom name="HG1" type="protein-HO" charge="0.4102"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CB" atomName2="OG1"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="OG1" atomName2="HG1"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="TRP"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0275"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1123"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.005"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0339"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0339"/> | |
| <Atom name="CG" type="protein-C*" charge="-0.1415"/> | |
| <Atom name="CD1" type="protein-CW" charge="-0.1638"/> | |
| <Atom name="HD1" type="protein-H4" charge="0.2062"/> | |
| <Atom name="NE1" type="protein-NA" charge="-0.3418"/> | |
| <Atom name="HE1" type="protein-H" charge="0.3412"/> | |
| <Atom name="CE2" type="protein-CN" charge="0.138"/> | |
| <Atom name="CZ2" type="protein-CA" charge="-0.2601"/> | |
| <Atom name="HZ2" type="protein-HA" charge="0.1572"/> | |
| <Atom name="CH2" type="protein-CA" charge="-0.1134"/> | |
| <Atom name="HH2" type="protein-HA" charge="0.1417"/> | |
| <Atom name="CZ3" type="protein-CA" charge="-0.1972"/> | |
| <Atom name="HZ3" type="protein-HA" charge="0.1447"/> | |
| <Atom name="CE3" type="protein-CA" charge="-0.2387"/> | |
| <Atom name="HE3" type="protein-HA" charge="0.17"/> | |
| <Atom name="CD2" type="protein-CB" charge="0.1243"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="NE1"/> | |
| <Bond atomName1="NE1" atomName2="HE1"/> | |
| <Bond atomName1="NE1" atomName2="CE2"/> | |
| <Bond atomName1="CE2" atomName2="CZ2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CZ2" atomName2="HZ2"/> | |
| <Bond atomName1="CZ2" atomName2="CH2"/> | |
| <Bond atomName1="CH2" atomName2="HH2"/> | |
| <Bond atomName1="CH2" atomName2="CZ3"/> | |
| <Bond atomName1="CZ3" atomName2="HZ3"/> | |
| <Bond atomName1="CZ3" atomName2="CE3"/> | |
| <Bond atomName1="CE3" atomName2="HE3"/> | |
| <Bond atomName1="CE3" atomName2="CD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="TYR"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0014"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0876"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0152"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0295"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0295"/> | |
| <Atom name="CG" type="protein-CA" charge="-0.0011"/> | |
| <Atom name="CD1" type="protein-CA" charge="-0.1906"/> | |
| <Atom name="HD1" type="protein-HA" charge="0.1699"/> | |
| <Atom name="CE1" type="protein-CA" charge="-0.2341"/> | |
| <Atom name="HE1" type="protein-HA" charge="0.1656"/> | |
| <Atom name="CZ" type="protein-C" charge="0.3226"/> | |
| <Atom name="OH" type="protein-OH" charge="-0.5579"/> | |
| <Atom name="HH" type="protein-HO" charge="0.3992"/> | |
| <Atom name="CE2" type="protein-CA" charge="-0.2341"/> | |
| <Atom name="HE2" type="protein-HA" charge="0.1656"/> | |
| <Atom name="CD2" type="protein-CA" charge="-0.1906"/> | |
| <Atom name="HD2" type="protein-HA" charge="0.1699"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="OH"/> | |
| <Bond atomName1="CZ" atomName2="CE2"/> | |
| <Bond atomName1="OH" atomName2="HH"/> | |
| <Bond atomName1="CE2" atomName2="HE2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="VAL"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0875"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0969"/> | |
| <Atom name="CB" type="protein-3C" charge="0.2985"/> | |
| <Atom name="HB" type="protein-HC" charge="-0.0297"/> | |
| <Atom name="CG1" type="protein-CT" charge="-0.3192"/> | |
| <Atom name="HG11" type="protein-HC" charge="0.0791"/> | |
| <Atom name="HG12" type="protein-HC" charge="0.0791"/> | |
| <Atom name="HG13" type="protein-HC" charge="0.0791"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.3192"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.0791"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.0791"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.0791"/> | |
| <Atom name="C" type="protein-C" charge="0.5973"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG1"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CG1" atomName2="HG11"/> | |
| <Bond atomName1="CG1" atomName2="HG12"/> | |
| <Bond atomName1="CG1" atomName2="HG13"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="N"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="CALA"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1747"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1067"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.2093"/> | |
| <Atom name="HB1" type="protein-HC" charge="0.0764"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0764"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0764"/> | |
| <Atom name="C" type="protein-C" charge="0.7731"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8055"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8055"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB1"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CARG"> | |
| <Atom name="N" type="protein-N" charge="-0.3481"/> | |
| <Atom name="H" type="protein-H" charge="0.2764"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.3068"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1447"/> | |
| <Atom name="CB" type="protein-C8" charge="-0.0374"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0371"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0371"/> | |
| <Atom name="CG" type="protein-C8" charge="0.0744"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0185"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0185"/> | |
| <Atom name="CD" type="protein-C8" charge="0.1114"/> | |
| <Atom name="HD2" type="protein-H1" charge="0.0468"/> | |
| <Atom name="HD3" type="protein-H1" charge="0.0468"/> | |
| <Atom name="NE" type="protein-N2" charge="-0.5564"/> | |
| <Atom name="HE" type="protein-H" charge="0.3479"/> | |
| <Atom name="CZ" type="protein-CA" charge="0.8368"/> | |
| <Atom name="NH1" type="protein-N2" charge="-0.8737"/> | |
| <Atom name="HH11" type="protein-H" charge="0.4493"/> | |
| <Atom name="HH12" type="protein-H" charge="0.4493"/> | |
| <Atom name="NH2" type="protein-N2" charge="-0.8737"/> | |
| <Atom name="HH21" type="protein-H" charge="0.4493"/> | |
| <Atom name="HH22" type="protein-H" charge="0.4493"/> | |
| <Atom name="C" type="protein-C" charge="0.8557"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8266"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8266"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="NE"/> | |
| <Bond atomName1="NE" atomName2="HE"/> | |
| <Bond atomName1="NE" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="NH1"/> | |
| <Bond atomName1="CZ" atomName2="NH2"/> | |
| <Bond atomName1="NH1" atomName2="HH11"/> | |
| <Bond atomName1="NH1" atomName2="HH12"/> | |
| <Bond atomName1="NH2" atomName2="HH21"/> | |
| <Bond atomName1="NH2" atomName2="HH22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CASN"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.208"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1358"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.2299"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.1023"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.1023"/> | |
| <Atom name="CG" type="protein-C" charge="0.7153"/> | |
| <Atom name="OD1" type="protein-O" charge="-0.601"/> | |
| <Atom name="ND2" type="protein-N" charge="-0.9084"/> | |
| <Atom name="HD21" type="protein-H" charge="0.415"/> | |
| <Atom name="HD22" type="protein-H" charge="0.415"/> | |
| <Atom name="C" type="protein-C" charge="0.805"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8147"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8147"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="ND2"/> | |
| <Bond atomName1="ND2" atomName2="HD21"/> | |
| <Bond atomName1="ND2" atomName2="HD22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CASP"> | |
| <Atom name="N" type="protein-N" charge="-0.5192"/> | |
| <Atom name="H" type="protein-H" charge="0.3055"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1817"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1046"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0677"/> | |
| <Atom name="HB2" type="protein-HC" charge="-0.0212"/> | |
| <Atom name="HB3" type="protein-HC" charge="-0.0212"/> | |
| <Atom name="CG" type="protein-CO" charge="0.8851"/> | |
| <Atom name="OD1" type="protein-O2" charge="-0.8162"/> | |
| <Atom name="OD2" type="protein-O2" charge="-0.8162"/> | |
| <Atom name="C" type="protein-C" charge="0.7256"/> | |
| <Atom name="O" type="protein-O2" charge="-0.7887"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.7887"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="OD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CCYS"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1635"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1396"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.1996"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.1437"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.1437"/> | |
| <Atom name="SG" type="protein-SH" charge="-0.3102"/> | |
| <Atom name="HG" type="protein-HS" charge="0.2068"/> | |
| <Atom name="C" type="protein-C" charge="0.7497"/> | |
| <Atom name="O" type="protein-O2" charge="-0.7981"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.7981"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="SG"/> | |
| <Bond atomName1="SG" atomName2="HG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CCYX"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1318"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0938"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.1943"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.1228"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.1228"/> | |
| <Atom name="SG" type="protein-S" charge="-0.0529"/> | |
| <Atom name="C" type="protein-C" charge="0.7618"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8041"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8041"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="SG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="SG"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CGLN"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2248"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1232"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0664"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0452"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0452"/> | |
| <Atom name="CG" type="protein-2C" charge="-0.021"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0203"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0203"/> | |
| <Atom name="CD" type="protein-C" charge="0.7093"/> | |
| <Atom name="OE1" type="protein-O" charge="-0.6098"/> | |
| <Atom name="NE2" type="protein-N" charge="-0.9574"/> | |
| <Atom name="HE21" type="protein-H" charge="0.4304"/> | |
| <Atom name="HE22" type="protein-H" charge="0.4304"/> | |
| <Atom name="C" type="protein-C" charge="0.7775"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8042"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8042"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="OE1"/> | |
| <Bond atomName1="CD" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE21"/> | |
| <Bond atomName1="NE2" atomName2="HE22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CGLU"> | |
| <Atom name="N" type="protein-N" charge="-0.5192"/> | |
| <Atom name="H" type="protein-H" charge="0.3055"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2059"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1399"/> | |
| <Atom name="CB" type="protein-2C" charge="0.0071"/> | |
| <Atom name="HB2" type="protein-HC" charge="-0.0078"/> | |
| <Atom name="HB3" type="protein-HC" charge="-0.0078"/> | |
| <Atom name="CG" type="protein-2C" charge="0.0675"/> | |
| <Atom name="HG2" type="protein-HC" charge="-0.0548"/> | |
| <Atom name="HG3" type="protein-HC" charge="-0.0548"/> | |
| <Atom name="CD" type="protein-CO" charge="0.8183"/> | |
| <Atom name="OE1" type="protein-O2" charge="-0.822"/> | |
| <Atom name="OE2" type="protein-O2" charge="-0.822"/> | |
| <Atom name="C" type="protein-C" charge="0.742"/> | |
| <Atom name="O" type="protein-O2" charge="-0.793"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.793"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="OE1"/> | |
| <Bond atomName1="CD" atomName2="OE2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CGLY"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2493"/> | |
| <Atom name="HA2" type="protein-H1" charge="0.1056"/> | |
| <Atom name="HA3" type="protein-H1" charge="0.1056"/> | |
| <Atom name="C" type="protein-C" charge="0.7231"/> | |
| <Atom name="O" type="protein-O2" charge="-0.7855"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.7855"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA2"/> | |
| <Bond atomName1="CA" atomName2="HA3"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CHID"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1739"/> | |
| <Atom name="HA" type="protein-H1" charge="0.11"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.1046"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0565"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0565"/> | |
| <Atom name="CG" type="protein-CC" charge="0.0293"/> | |
| <Atom name="ND1" type="protein-NA" charge="-0.3892"/> | |
| <Atom name="HD1" type="protein-H" charge="0.3755"/> | |
| <Atom name="CE1" type="protein-CR" charge="0.1925"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.1418"/> | |
| <Atom name="NE2" type="protein-NB" charge="-0.5629"/> | |
| <Atom name="CD2" type="protein-CV" charge="0.1001"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.1241"/> | |
| <Atom name="C" type="protein-C" charge="0.7615"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8016"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8016"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="HD1"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CHIE"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2699"/> | |
| <Atom name="HA" type="protein-H1" charge="0.165"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.1068"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.062"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.062"/> | |
| <Atom name="CG" type="protein-CC" charge="0.2724"/> | |
| <Atom name="ND1" type="protein-NB" charge="-0.5517"/> | |
| <Atom name="CE1" type="protein-CR" charge="0.1558"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.1448"/> | |
| <Atom name="NE2" type="protein-NA" charge="-0.267"/> | |
| <Atom name="HE2" type="protein-H" charge="0.3319"/> | |
| <Atom name="CD2" type="protein-CW" charge="-0.2588"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.1957"/> | |
| <Atom name="C" type="protein-C" charge="0.7916"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8065"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8065"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CHIP"> | |
| <Atom name="N" type="protein-N" charge="-0.3481"/> | |
| <Atom name="H" type="protein-H" charge="0.2764"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1445"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1115"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.08"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0868"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0868"/> | |
| <Atom name="CG" type="protein-CC" charge="0.0298"/> | |
| <Atom name="ND1" type="protein-NA" charge="-0.1501"/> | |
| <Atom name="HD1" type="protein-H" charge="0.3883"/> | |
| <Atom name="CE1" type="protein-CR" charge="-0.0251"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.2694"/> | |
| <Atom name="NE2" type="protein-NA" charge="-0.1683"/> | |
| <Atom name="HE2" type="protein-H" charge="0.3913"/> | |
| <Atom name="CD2" type="protein-CW" charge="-0.1256"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.2336"/> | |
| <Atom name="C" type="protein-C" charge="0.8032"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8177"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8177"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="HD1"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CHYP"> | |
| <Atom name="N" type="protein-N" charge="-0.2802"/> | |
| <Atom name="CD" type="protein-CT" charge="0.0778"/> | |
| <Atom name="HD22" type="protein-H1" charge="0.0331"/> | |
| <Atom name="HD23" type="protein-H1" charge="0.0331"/> | |
| <Atom name="CG" type="protein-CT" charge="0.081"/> | |
| <Atom name="HG" type="protein-H1" charge="0.0416"/> | |
| <Atom name="OD1" type="protein-OH" charge="-0.6134"/> | |
| <Atom name="HD1" type="protein-HO" charge="0.3851"/> | |
| <Atom name="CB" type="protein-CT" charge="0.0547"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0426"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0426"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0993"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0776"/> | |
| <Atom name="C" type="protein-C" charge="0.6631"/> | |
| <Atom name="O" type="protein-O2" charge="-0.7697"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.7697"/> | |
| <Bond atomName1="N" atomName2="CD"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CD" atomName2="HD22"/> | |
| <Bond atomName1="CD" atomName2="HD23"/> | |
| <Bond atomName1="CD" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="CB"/> | |
| <Bond atomName1="OD1" atomName2="HD1"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CILE"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.31"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1375"/> | |
| <Atom name="CB" type="protein-3C" charge="0.0363"/> | |
| <Atom name="HB" type="protein-HC" charge="0.0766"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.3498"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.1021"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.1021"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.1021"/> | |
| <Atom name="CG1" type="protein-2C" charge="-0.0323"/> | |
| <Atom name="HG12" type="protein-HC" charge="0.0321"/> | |
| <Atom name="HG13" type="protein-HC" charge="0.0321"/> | |
| <Atom name="CD1" type="protein-CT" charge="-0.0699"/> | |
| <Atom name="HD11" type="protein-HC" charge="0.0196"/> | |
| <Atom name="HD12" type="protein-HC" charge="0.0196"/> | |
| <Atom name="HD13" type="protein-HC" charge="0.0196"/> | |
| <Atom name="C" type="protein-C" charge="0.8343"/> | |
| <Atom name="O" type="protein-O2" charge="-0.819"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.819"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CB" atomName2="CG1"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="CG1" atomName2="HG12"/> | |
| <Bond atomName1="CG1" atomName2="HG13"/> | |
| <Bond atomName1="CG1" atomName2="CD1"/> | |
| <Bond atomName1="CD1" atomName2="HD11"/> | |
| <Bond atomName1="CD1" atomName2="HD12"/> | |
| <Bond atomName1="CD1" atomName2="HD13"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CLEU"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2847"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1346"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.2469"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0974"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0974"/> | |
| <Atom name="CG" type="protein-3C" charge="0.3706"/> | |
| <Atom name="HG" type="protein-HC" charge="-0.0374"/> | |
| <Atom name="CD1" type="protein-CT" charge="-0.4163"/> | |
| <Atom name="HD11" type="protein-HC" charge="0.1038"/> | |
| <Atom name="HD12" type="protein-HC" charge="0.1038"/> | |
| <Atom name="HD13" type="protein-HC" charge="0.1038"/> | |
| <Atom name="CD2" type="protein-CT" charge="-0.4163"/> | |
| <Atom name="HD21" type="protein-HC" charge="0.1038"/> | |
| <Atom name="HD22" type="protein-HC" charge="0.1038"/> | |
| <Atom name="HD23" type="protein-HC" charge="0.1038"/> | |
| <Atom name="C" type="protein-C" charge="0.8326"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8199"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8199"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD11"/> | |
| <Bond atomName1="CD1" atomName2="HD12"/> | |
| <Bond atomName1="CD1" atomName2="HD13"/> | |
| <Bond atomName1="CD2" atomName2="HD21"/> | |
| <Bond atomName1="CD2" atomName2="HD22"/> | |
| <Bond atomName1="CD2" atomName2="HD23"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CLYS"> | |
| <Atom name="N" type="protein-N" charge="-0.3481"/> | |
| <Atom name="H" type="protein-H" charge="0.2764"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2903"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1438"/> | |
| <Atom name="CB" type="protein-C8" charge="-0.0538"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0482"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0482"/> | |
| <Atom name="CG" type="protein-C8" charge="0.0227"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0134"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0134"/> | |
| <Atom name="CD" type="protein-C8" charge="-0.0392"/> | |
| <Atom name="HD2" type="protein-HC" charge="0.0611"/> | |
| <Atom name="HD3" type="protein-HC" charge="0.0611"/> | |
| <Atom name="CE" type="protein-C8" charge="-0.0176"/> | |
| <Atom name="HE2" type="protein-HP" charge="0.1121"/> | |
| <Atom name="HE3" type="protein-HP" charge="0.1121"/> | |
| <Atom name="NZ" type="protein-N3" charge="-0.3741"/> | |
| <Atom name="HZ1" type="protein-H" charge="0.3374"/> | |
| <Atom name="HZ2" type="protein-H" charge="0.3374"/> | |
| <Atom name="HZ3" type="protein-H" charge="0.3374"/> | |
| <Atom name="C" type="protein-C" charge="0.8488"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8252"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8252"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="CE"/> | |
| <Bond atomName1="CE" atomName2="HE2"/> | |
| <Bond atomName1="CE" atomName2="HE3"/> | |
| <Bond atomName1="CE" atomName2="NZ"/> | |
| <Bond atomName1="NZ" atomName2="HZ1"/> | |
| <Bond atomName1="NZ" atomName2="HZ2"/> | |
| <Bond atomName1="NZ" atomName2="HZ3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CMET"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2597"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1277"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0236"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.048"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.048"/> | |
| <Atom name="CG" type="protein-2C" charge="0.0492"/> | |
| <Atom name="HG2" type="protein-H1" charge="0.0317"/> | |
| <Atom name="HG3" type="protein-H1" charge="0.0317"/> | |
| <Atom name="SD" type="protein-S" charge="-0.2692"/> | |
| <Atom name="CE" type="protein-CT" charge="-0.0376"/> | |
| <Atom name="HE1" type="protein-H1" charge="0.0625"/> | |
| <Atom name="HE2" type="protein-H1" charge="0.0625"/> | |
| <Atom name="HE3" type="protein-H1" charge="0.0625"/> | |
| <Atom name="C" type="protein-C" charge="0.8013"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8105"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8105"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="SD"/> | |
| <Bond atomName1="SD" atomName2="CE"/> | |
| <Bond atomName1="CE" atomName2="HE1"/> | |
| <Bond atomName1="CE" atomName2="HE2"/> | |
| <Bond atomName1="CE" atomName2="HE3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CPHE"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1825"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1098"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0959"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0443"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0443"/> | |
| <Atom name="CG" type="protein-CA" charge="0.0552"/> | |
| <Atom name="CD1" type="protein-CA" charge="-0.13"/> | |
| <Atom name="HD1" type="protein-HA" charge="0.1408"/> | |
| <Atom name="CE1" type="protein-CA" charge="-0.1847"/> | |
| <Atom name="HE1" type="protein-HA" charge="0.1461"/> | |
| <Atom name="CZ" type="protein-CA" charge="-0.0944"/> | |
| <Atom name="HZ" type="protein-HA" charge="0.128"/> | |
| <Atom name="CE2" type="protein-CA" charge="-0.1847"/> | |
| <Atom name="HE2" type="protein-HA" charge="0.1461"/> | |
| <Atom name="CD2" type="protein-CA" charge="-0.13"/> | |
| <Atom name="HD2" type="protein-HA" charge="0.1408"/> | |
| <Atom name="C" type="protein-C" charge="0.766"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8026"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8026"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="HZ"/> | |
| <Bond atomName1="CZ" atomName2="CE2"/> | |
| <Bond atomName1="CE2" atomName2="HE2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CPRO"> | |
| <Atom name="N" type="protein-N" charge="-0.2802"/> | |
| <Atom name="CD" type="protein-CT" charge="0.0434"/> | |
| <Atom name="HD2" type="protein-H1" charge="0.0331"/> | |
| <Atom name="HD3" type="protein-H1" charge="0.0331"/> | |
| <Atom name="CG" type="protein-CT" charge="0.0466"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0172"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0172"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0543"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0381"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0381"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.1336"/> | |
| <Atom name="HA" type="protein-H1" charge="0.0776"/> | |
| <Atom name="C" type="protein-C" charge="0.6631"/> | |
| <Atom name="O" type="protein-O2" charge="-0.7697"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.7697"/> | |
| <Bond atomName1="N" atomName2="CD"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CB"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CSER"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2722"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1304"/> | |
| <Atom name="CB" type="protein-2C" charge="0.1123"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.0813"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.0813"/> | |
| <Atom name="OG" type="protein-OH" charge="-0.6514"/> | |
| <Atom name="HG" type="protein-HO" charge="0.4474"/> | |
| <Atom name="C" type="protein-C" charge="0.8113"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8132"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8132"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="OG"/> | |
| <Bond atomName1="OG" atomName2="HG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CTHR"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.242"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1207"/> | |
| <Atom name="CB" type="protein-3C" charge="0.3025"/> | |
| <Atom name="HB" type="protein-H1" charge="0.0078"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.1853"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.0586"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.0586"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.0586"/> | |
| <Atom name="OG1" type="protein-OH" charge="-0.6496"/> | |
| <Atom name="HG1" type="protein-HO" charge="0.4119"/> | |
| <Atom name="C" type="protein-C" charge="0.781"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8044"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8044"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CB" atomName2="OG1"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="OG1" atomName2="HG1"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CTRP"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2084"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1272"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0742"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0497"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0497"/> | |
| <Atom name="CG" type="protein-C*" charge="-0.0796"/> | |
| <Atom name="CD1" type="protein-CW" charge="-0.1808"/> | |
| <Atom name="HD1" type="protein-H4" charge="0.2043"/> | |
| <Atom name="NE1" type="protein-NA" charge="-0.3316"/> | |
| <Atom name="HE1" type="protein-H" charge="0.3413"/> | |
| <Atom name="CE2" type="protein-CN" charge="0.1222"/> | |
| <Atom name="CZ2" type="protein-CA" charge="-0.2594"/> | |
| <Atom name="HZ2" type="protein-HA" charge="0.1567"/> | |
| <Atom name="CH2" type="protein-CA" charge="-0.102"/> | |
| <Atom name="HH2" type="protein-HA" charge="0.1401"/> | |
| <Atom name="CZ3" type="protein-CA" charge="-0.2287"/> | |
| <Atom name="HZ3" type="protein-HA" charge="0.1507"/> | |
| <Atom name="CE3" type="protein-CA" charge="-0.1837"/> | |
| <Atom name="HE3" type="protein-HA" charge="0.1491"/> | |
| <Atom name="CD2" type="protein-CB" charge="0.1078"/> | |
| <Atom name="C" type="protein-C" charge="0.7658"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8011"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8011"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="NE1"/> | |
| <Bond atomName1="NE1" atomName2="HE1"/> | |
| <Bond atomName1="NE1" atomName2="CE2"/> | |
| <Bond atomName1="CE2" atomName2="CZ2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CZ2" atomName2="HZ2"/> | |
| <Bond atomName1="CZ2" atomName2="CH2"/> | |
| <Bond atomName1="CH2" atomName2="HH2"/> | |
| <Bond atomName1="CH2" atomName2="CZ3"/> | |
| <Bond atomName1="CZ3" atomName2="HZ3"/> | |
| <Bond atomName1="CZ3" atomName2="CE3"/> | |
| <Bond atomName1="CE3" atomName2="HE3"/> | |
| <Bond atomName1="CE3" atomName2="CD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CTYR"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.2015"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1092"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0752"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.049"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.049"/> | |
| <Atom name="CG" type="protein-CA" charge="0.0243"/> | |
| <Atom name="CD1" type="protein-CA" charge="-0.1922"/> | |
| <Atom name="HD1" type="protein-HA" charge="0.178"/> | |
| <Atom name="CE1" type="protein-CA" charge="-0.2458"/> | |
| <Atom name="HE1" type="protein-HA" charge="0.1673"/> | |
| <Atom name="CZ" type="protein-C" charge="0.3395"/> | |
| <Atom name="OH" type="protein-OH" charge="-0.5643"/> | |
| <Atom name="HH" type="protein-HO" charge="0.4017"/> | |
| <Atom name="CE2" type="protein-CA" charge="-0.2458"/> | |
| <Atom name="HE2" type="protein-HA" charge="0.1673"/> | |
| <Atom name="CD2" type="protein-CA" charge="-0.1922"/> | |
| <Atom name="HD2" type="protein-HA" charge="0.178"/> | |
| <Atom name="C" type="protein-C" charge="0.7817"/> | |
| <Atom name="O" type="protein-O2" charge="-0.807"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.807"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="OH"/> | |
| <Bond atomName1="CZ" atomName2="CE2"/> | |
| <Bond atomName1="OH" atomName2="HH"/> | |
| <Bond atomName1="CE2" atomName2="HE2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="CVAL"> | |
| <Atom name="N" type="protein-N" charge="-0.3821"/> | |
| <Atom name="H" type="protein-H" charge="0.2681"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.3438"/> | |
| <Atom name="HA" type="protein-H1" charge="0.1438"/> | |
| <Atom name="CB" type="protein-3C" charge="0.194"/> | |
| <Atom name="HB" type="protein-HC" charge="0.0308"/> | |
| <Atom name="CG1" type="protein-CT" charge="-0.3064"/> | |
| <Atom name="HG11" type="protein-HC" charge="0.0836"/> | |
| <Atom name="HG12" type="protein-HC" charge="0.0836"/> | |
| <Atom name="HG13" type="protein-HC" charge="0.0836"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.3064"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.0836"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.0836"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.0836"/> | |
| <Atom name="C" type="protein-C" charge="0.835"/> | |
| <Atom name="O" type="protein-O2" charge="-0.8173"/> | |
| <Atom name="OXT" type="protein-O2" charge="-0.8173"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG1"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CG1" atomName2="HG11"/> | |
| <Bond atomName1="CG1" atomName2="HG12"/> | |
| <Bond atomName1="CG1" atomName2="HG13"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <Bond atomName1="C" atomName2="OXT"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="NHE"> | |
| <Atom name="N" type="protein-N" charge="-0.463"/> | |
| <Atom name="HN1" type="protein-H" charge="0.2315"/> | |
| <Atom name="HN2" type="protein-H" charge="0.2315"/> | |
| <Bond atomName1="N" atomName2="HN1"/> | |
| <Bond atomName1="N" atomName2="HN2"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="NME"> | |
| <Atom name="N" type="protein-N" charge="-0.4157"/> | |
| <Atom name="H" type="protein-H" charge="0.2719"/> | |
| <Atom name="CH3" type="protein-CT" charge="-0.149"/> | |
| <Atom name="HH31" type="protein-H1" charge="0.0976"/> | |
| <Atom name="HH32" type="protein-H1" charge="0.0976"/> | |
| <Atom name="HH33" type="protein-H1" charge="0.0976"/> | |
| <Bond atomName1="N" atomName2="H"/> | |
| <Bond atomName1="N" atomName2="CH3"/> | |
| <Bond atomName1="CH3" atomName2="HH31"/> | |
| <Bond atomName1="CH3" atomName2="HH32"/> | |
| <Bond atomName1="CH3" atomName2="HH33"/> | |
| <ExternalBond atomName="N"/> | |
| </Residue> | |
| <Residue name="ACE"> | |
| <Atom name="H1" type="protein-HC" charge="0.1123"/> | |
| <Atom name="CH3" type="protein-CT" charge="-0.3662"/> | |
| <Atom name="H2" type="protein-HC" charge="0.1123"/> | |
| <Atom name="H3" type="protein-HC" charge="0.1123"/> | |
| <Atom name="C" type="protein-C" charge="0.5972"/> | |
| <Atom name="O" type="protein-O" charge="-0.5679"/> | |
| <Bond atomName1="H1" atomName2="CH3"/> | |
| <Bond atomName1="CH3" atomName2="H2"/> | |
| <Bond atomName1="CH3" atomName2="H3"/> | |
| <Bond atomName1="CH3" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NALA"> | |
| <Atom name="N" type="protein-N3" charge="0.1414"/> | |
| <Atom name="H1" type="protein-H" charge="0.1997"/> | |
| <Atom name="H2" type="protein-H" charge="0.1997"/> | |
| <Atom name="H3" type="protein-H" charge="0.1997"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0962"/> | |
| <Atom name="HA" type="protein-HP" charge="0.0889"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.0597"/> | |
| <Atom name="HB1" type="protein-HC" charge="0.03"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.03"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.03"/> | |
| <Atom name="C" type="protein-C" charge="0.6163"/> | |
| <Atom name="O" type="protein-O" charge="-0.5722"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB1"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NARG"> | |
| <Atom name="N" type="protein-N3" charge="0.1305"/> | |
| <Atom name="H1" type="protein-H" charge="0.2083"/> | |
| <Atom name="H2" type="protein-H" charge="0.2083"/> | |
| <Atom name="H3" type="protein-H" charge="0.2083"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0223"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1242"/> | |
| <Atom name="CB" type="protein-C8" charge="0.0118"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0226"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0226"/> | |
| <Atom name="CG" type="protein-C8" charge="0.0236"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0309"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0309"/> | |
| <Atom name="CD" type="protein-C8" charge="0.0935"/> | |
| <Atom name="HD2" type="protein-H1" charge="0.0527"/> | |
| <Atom name="HD3" type="protein-H1" charge="0.0527"/> | |
| <Atom name="NE" type="protein-N2" charge="-0.565"/> | |
| <Atom name="HE" type="protein-H" charge="0.3592"/> | |
| <Atom name="CZ" type="protein-CA" charge="0.8281"/> | |
| <Atom name="NH1" type="protein-N2" charge="-0.8693"/> | |
| <Atom name="HH11" type="protein-H" charge="0.4494"/> | |
| <Atom name="HH12" type="protein-H" charge="0.4494"/> | |
| <Atom name="NH2" type="protein-N2" charge="-0.8693"/> | |
| <Atom name="HH21" type="protein-H" charge="0.4494"/> | |
| <Atom name="HH22" type="protein-H" charge="0.4494"/> | |
| <Atom name="C" type="protein-C" charge="0.7214"/> | |
| <Atom name="O" type="protein-O" charge="-0.6013"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="NE"/> | |
| <Bond atomName1="NE" atomName2="HE"/> | |
| <Bond atomName1="NE" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="NH1"/> | |
| <Bond atomName1="CZ" atomName2="NH2"/> | |
| <Bond atomName1="NH1" atomName2="HH11"/> | |
| <Bond atomName1="NH1" atomName2="HH12"/> | |
| <Bond atomName1="NH2" atomName2="HH21"/> | |
| <Bond atomName1="NH2" atomName2="HH22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NASN"> | |
| <Atom name="N" type="protein-N3" charge="0.1801"/> | |
| <Atom name="H1" type="protein-H" charge="0.1921"/> | |
| <Atom name="H2" type="protein-H" charge="0.1921"/> | |
| <Atom name="H3" type="protein-H" charge="0.1921"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0368"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1231"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0283"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0515"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0515"/> | |
| <Atom name="CG" type="protein-C" charge="0.5833"/> | |
| <Atom name="OD1" type="protein-O" charge="-0.5744"/> | |
| <Atom name="ND2" type="protein-N" charge="-0.8634"/> | |
| <Atom name="HD21" type="protein-H" charge="0.4097"/> | |
| <Atom name="HD22" type="protein-H" charge="0.4097"/> | |
| <Atom name="C" type="protein-C" charge="0.6163"/> | |
| <Atom name="O" type="protein-O" charge="-0.5722"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="ND2"/> | |
| <Bond atomName1="ND2" atomName2="HD21"/> | |
| <Bond atomName1="ND2" atomName2="HD22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NASP"> | |
| <Atom name="N" type="protein-N3" charge="0.0782"/> | |
| <Atom name="H1" type="protein-H" charge="0.22"/> | |
| <Atom name="H2" type="protein-H" charge="0.22"/> | |
| <Atom name="H3" type="protein-H" charge="0.22"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0292"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1141"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0235"/> | |
| <Atom name="HB2" type="protein-HC" charge="-0.0169"/> | |
| <Atom name="HB3" type="protein-HC" charge="-0.0169"/> | |
| <Atom name="CG" type="protein-CO" charge="0.8194"/> | |
| <Atom name="OD1" type="protein-O2" charge="-0.8084"/> | |
| <Atom name="OD2" type="protein-O2" charge="-0.8084"/> | |
| <Atom name="C" type="protein-C" charge="0.5621"/> | |
| <Atom name="O" type="protein-O" charge="-0.5889"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="OD1"/> | |
| <Bond atomName1="CG" atomName2="OD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NCYS"> | |
| <Atom name="N" type="protein-N3" charge="0.1325"/> | |
| <Atom name="H1" type="protein-H" charge="0.2023"/> | |
| <Atom name="H2" type="protein-H" charge="0.2023"/> | |
| <Atom name="H3" type="protein-H" charge="0.2023"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0927"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1411"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.1195"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.1188"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.1188"/> | |
| <Atom name="SG" type="protein-SH" charge="-0.3298"/> | |
| <Atom name="HG" type="protein-HS" charge="0.1975"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="SG"/> | |
| <Bond atomName1="SG" atomName2="HG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NCYX"> | |
| <Atom name="N" type="protein-N3" charge="0.2069"/> | |
| <Atom name="H1" type="protein-H" charge="0.1815"/> | |
| <Atom name="H2" type="protein-H" charge="0.1815"/> | |
| <Atom name="H3" type="protein-H" charge="0.1815"/> | |
| <Atom name="CA" type="protein-CX" charge="0.1055"/> | |
| <Atom name="HA" type="protein-HP" charge="0.0922"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0277"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.068"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.068"/> | |
| <Atom name="SG" type="protein-S" charge="-0.0984"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="SG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="SG"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NGLN"> | |
| <Atom name="N" type="protein-N3" charge="0.1493"/> | |
| <Atom name="H1" type="protein-H" charge="0.1996"/> | |
| <Atom name="H2" type="protein-H" charge="0.1996"/> | |
| <Atom name="H3" type="protein-H" charge="0.1996"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0536"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1015"/> | |
| <Atom name="CB" type="protein-2C" charge="0.0651"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.005"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.005"/> | |
| <Atom name="CG" type="protein-2C" charge="-0.0903"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0331"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0331"/> | |
| <Atom name="CD" type="protein-C" charge="0.7354"/> | |
| <Atom name="OE1" type="protein-O" charge="-0.6133"/> | |
| <Atom name="NE2" type="protein-N" charge="-1.0031"/> | |
| <Atom name="HE21" type="protein-H" charge="0.4429"/> | |
| <Atom name="HE22" type="protein-H" charge="0.4429"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="OE1"/> | |
| <Bond atomName1="CD" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE21"/> | |
| <Bond atomName1="NE2" atomName2="HE22"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NGLU"> | |
| <Atom name="N" type="protein-N3" charge="0.0017"/> | |
| <Atom name="H1" type="protein-H" charge="0.2391"/> | |
| <Atom name="H2" type="protein-H" charge="0.2391"/> | |
| <Atom name="H3" type="protein-H" charge="0.2391"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0588"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1202"/> | |
| <Atom name="CB" type="protein-2C" charge="0.0909"/> | |
| <Atom name="HB2" type="protein-HC" charge="-0.0232"/> | |
| <Atom name="HB3" type="protein-HC" charge="-0.0232"/> | |
| <Atom name="CG" type="protein-2C" charge="-0.0236"/> | |
| <Atom name="HG2" type="protein-HC" charge="-0.0315"/> | |
| <Atom name="HG3" type="protein-HC" charge="-0.0315"/> | |
| <Atom name="CD" type="protein-CO" charge="0.8087"/> | |
| <Atom name="OE1" type="protein-O2" charge="-0.8189"/> | |
| <Atom name="OE2" type="protein-O2" charge="-0.8189"/> | |
| <Atom name="C" type="protein-C" charge="0.5621"/> | |
| <Atom name="O" type="protein-O" charge="-0.5889"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="OE1"/> | |
| <Bond atomName1="CD" atomName2="OE2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NGLY"> | |
| <Atom name="N" type="protein-N3" charge="0.2943"/> | |
| <Atom name="H1" type="protein-H" charge="0.1642"/> | |
| <Atom name="H2" type="protein-H" charge="0.1642"/> | |
| <Atom name="H3" type="protein-H" charge="0.1642"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.01"/> | |
| <Atom name="HA2" type="protein-HP" charge="0.0895"/> | |
| <Atom name="HA3" type="protein-HP" charge="0.0895"/> | |
| <Atom name="C" type="protein-C" charge="0.6163"/> | |
| <Atom name="O" type="protein-O" charge="-0.5722"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA2"/> | |
| <Bond atomName1="CA" atomName2="HA3"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NHID"> | |
| <Atom name="N" type="protein-N3" charge="0.1542"/> | |
| <Atom name="H1" type="protein-H" charge="0.1963"/> | |
| <Atom name="H2" type="protein-H" charge="0.1963"/> | |
| <Atom name="H3" type="protein-H" charge="0.1963"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0964"/> | |
| <Atom name="HA" type="protein-HP" charge="0.0958"/> | |
| <Atom name="CB" type="protein-CT" charge="0.0259"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0209"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0209"/> | |
| <Atom name="CG" type="protein-CC" charge="-0.0399"/> | |
| <Atom name="ND1" type="protein-NA" charge="-0.3819"/> | |
| <Atom name="HD1" type="protein-H" charge="0.3632"/> | |
| <Atom name="CE1" type="protein-CR" charge="0.2127"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.1385"/> | |
| <Atom name="NE2" type="protein-NB" charge="-0.5711"/> | |
| <Atom name="CD2" type="protein-CV" charge="0.1046"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.1299"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="HD1"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NHIE"> | |
| <Atom name="N" type="protein-N3" charge="0.1472"/> | |
| <Atom name="H1" type="protein-H" charge="0.2016"/> | |
| <Atom name="H2" type="protein-H" charge="0.2016"/> | |
| <Atom name="H3" type="protein-H" charge="0.2016"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0236"/> | |
| <Atom name="HA" type="protein-HP" charge="0.138"/> | |
| <Atom name="CB" type="protein-CT" charge="0.0489"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0223"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0223"/> | |
| <Atom name="CG" type="protein-CC" charge="0.174"/> | |
| <Atom name="ND1" type="protein-NB" charge="-0.5579"/> | |
| <Atom name="CE1" type="protein-CR" charge="0.1804"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.1397"/> | |
| <Atom name="NE2" type="protein-NA" charge="-0.2781"/> | |
| <Atom name="HE2" type="protein-H" charge="0.3324"/> | |
| <Atom name="CD2" type="protein-CW" charge="-0.2349"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.1963"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NHIP"> | |
| <Atom name="N" type="protein-N3" charge="0.256"/> | |
| <Atom name="H1" type="protein-H" charge="0.1704"/> | |
| <Atom name="H2" type="protein-H" charge="0.1704"/> | |
| <Atom name="H3" type="protein-H" charge="0.1704"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0581"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1047"/> | |
| <Atom name="CB" type="protein-CT" charge="0.0484"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0531"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0531"/> | |
| <Atom name="CG" type="protein-CC" charge="-0.0236"/> | |
| <Atom name="ND1" type="protein-NA" charge="-0.151"/> | |
| <Atom name="HD1" type="protein-H" charge="0.3821"/> | |
| <Atom name="CE1" type="protein-CR" charge="-0.0011"/> | |
| <Atom name="HE1" type="protein-H5" charge="0.2645"/> | |
| <Atom name="NE2" type="protein-NA" charge="-0.1739"/> | |
| <Atom name="HE2" type="protein-H" charge="0.3921"/> | |
| <Atom name="CD2" type="protein-CW" charge="-0.1433"/> | |
| <Atom name="HD2" type="protein-H4" charge="0.2495"/> | |
| <Atom name="C" type="protein-C" charge="0.7214"/> | |
| <Atom name="O" type="protein-O" charge="-0.6013"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="ND1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="ND1" atomName2="HD1"/> | |
| <Bond atomName1="ND1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="NE2"/> | |
| <Bond atomName1="NE2" atomName2="HE2"/> | |
| <Bond atomName1="NE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NILE"> | |
| <Atom name="N" type="protein-N3" charge="0.0311"/> | |
| <Atom name="H1" type="protein-H" charge="0.2329"/> | |
| <Atom name="H2" type="protein-H" charge="0.2329"/> | |
| <Atom name="H3" type="protein-H" charge="0.2329"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0257"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1031"/> | |
| <Atom name="CB" type="protein-3C" charge="0.1885"/> | |
| <Atom name="HB" type="protein-HC" charge="0.0213"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.372"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.0947"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.0947"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.0947"/> | |
| <Atom name="CG1" type="protein-2C" charge="-0.0387"/> | |
| <Atom name="HG12" type="protein-HC" charge="0.0201"/> | |
| <Atom name="HG13" type="protein-HC" charge="0.0201"/> | |
| <Atom name="CD1" type="protein-CT" charge="-0.0908"/> | |
| <Atom name="HD11" type="protein-HC" charge="0.0226"/> | |
| <Atom name="HD12" type="protein-HC" charge="0.0226"/> | |
| <Atom name="HD13" type="protein-HC" charge="0.0226"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CB" atomName2="CG1"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="CG1" atomName2="HG12"/> | |
| <Bond atomName1="CG1" atomName2="HG13"/> | |
| <Bond atomName1="CG1" atomName2="CD1"/> | |
| <Bond atomName1="CD1" atomName2="HD11"/> | |
| <Bond atomName1="CD1" atomName2="HD12"/> | |
| <Bond atomName1="CD1" atomName2="HD13"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NLEU"> | |
| <Atom name="N" type="protein-N3" charge="0.101"/> | |
| <Atom name="H1" type="protein-H" charge="0.2148"/> | |
| <Atom name="H2" type="protein-H" charge="0.2148"/> | |
| <Atom name="H3" type="protein-H" charge="0.2148"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0104"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1053"/> | |
| <Atom name="CB" type="protein-2C" charge="-0.0244"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0256"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0256"/> | |
| <Atom name="CG" type="protein-3C" charge="0.3421"/> | |
| <Atom name="HG" type="protein-HC" charge="-0.038"/> | |
| <Atom name="CD1" type="protein-CT" charge="-0.4106"/> | |
| <Atom name="HD11" type="protein-HC" charge="0.098"/> | |
| <Atom name="HD12" type="protein-HC" charge="0.098"/> | |
| <Atom name="HD13" type="protein-HC" charge="0.098"/> | |
| <Atom name="CD2" type="protein-CT" charge="-0.4104"/> | |
| <Atom name="HD21" type="protein-HC" charge="0.098"/> | |
| <Atom name="HD22" type="protein-HC" charge="0.098"/> | |
| <Atom name="HD23" type="protein-HC" charge="0.098"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD11"/> | |
| <Bond atomName1="CD1" atomName2="HD12"/> | |
| <Bond atomName1="CD1" atomName2="HD13"/> | |
| <Bond atomName1="CD2" atomName2="HD21"/> | |
| <Bond atomName1="CD2" atomName2="HD22"/> | |
| <Bond atomName1="CD2" atomName2="HD23"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NLYS"> | |
| <Atom name="N" type="protein-N3" charge="0.0966"/> | |
| <Atom name="H1" type="protein-H" charge="0.2165"/> | |
| <Atom name="H2" type="protein-H" charge="0.2165"/> | |
| <Atom name="H3" type="protein-H" charge="0.2165"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0015"/> | |
| <Atom name="HA" type="protein-HP" charge="0.118"/> | |
| <Atom name="CB" type="protein-C8" charge="0.0212"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0283"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0283"/> | |
| <Atom name="CG" type="protein-C8" charge="-0.0048"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.0121"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.0121"/> | |
| <Atom name="CD" type="protein-C8" charge="-0.0608"/> | |
| <Atom name="HD2" type="protein-HC" charge="0.0633"/> | |
| <Atom name="HD3" type="protein-HC" charge="0.0633"/> | |
| <Atom name="CE" type="protein-C8" charge="-0.0181"/> | |
| <Atom name="HE2" type="protein-HP" charge="0.1171"/> | |
| <Atom name="HE3" type="protein-HP" charge="0.1171"/> | |
| <Atom name="NZ" type="protein-N3" charge="-0.3764"/> | |
| <Atom name="HZ1" type="protein-H" charge="0.3382"/> | |
| <Atom name="HZ2" type="protein-H" charge="0.3382"/> | |
| <Atom name="HZ3" type="protein-H" charge="0.3382"/> | |
| <Atom name="C" type="protein-C" charge="0.7214"/> | |
| <Atom name="O" type="protein-O" charge="-0.6013"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CD"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="CE"/> | |
| <Bond atomName1="CE" atomName2="HE2"/> | |
| <Bond atomName1="CE" atomName2="HE3"/> | |
| <Bond atomName1="CE" atomName2="NZ"/> | |
| <Bond atomName1="NZ" atomName2="HZ1"/> | |
| <Bond atomName1="NZ" atomName2="HZ2"/> | |
| <Bond atomName1="NZ" atomName2="HZ3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NMET"> | |
| <Atom name="N" type="protein-N3" charge="0.1592"/> | |
| <Atom name="H1" type="protein-H" charge="0.1984"/> | |
| <Atom name="H2" type="protein-H" charge="0.1984"/> | |
| <Atom name="H3" type="protein-H" charge="0.1984"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0221"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1116"/> | |
| <Atom name="CB" type="protein-2C" charge="0.0865"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0125"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0125"/> | |
| <Atom name="CG" type="protein-2C" charge="0.0334"/> | |
| <Atom name="HG2" type="protein-H1" charge="0.0292"/> | |
| <Atom name="HG3" type="protein-H1" charge="0.0292"/> | |
| <Atom name="SD" type="protein-S" charge="-0.2774"/> | |
| <Atom name="CE" type="protein-CT" charge="-0.0341"/> | |
| <Atom name="HE1" type="protein-H1" charge="0.0597"/> | |
| <Atom name="HE2" type="protein-H1" charge="0.0597"/> | |
| <Atom name="HE3" type="protein-H1" charge="0.0597"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="SD"/> | |
| <Bond atomName1="SD" atomName2="CE"/> | |
| <Bond atomName1="CE" atomName2="HE1"/> | |
| <Bond atomName1="CE" atomName2="HE2"/> | |
| <Bond atomName1="CE" atomName2="HE3"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NPHE"> | |
| <Atom name="N" type="protein-N3" charge="0.1737"/> | |
| <Atom name="H1" type="protein-H" charge="0.1921"/> | |
| <Atom name="H2" type="protein-H" charge="0.1921"/> | |
| <Atom name="H3" type="protein-H" charge="0.1921"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0733"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1041"/> | |
| <Atom name="CB" type="protein-CT" charge="0.033"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0104"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0104"/> | |
| <Atom name="CG" type="protein-CA" charge="0.0031"/> | |
| <Atom name="CD1" type="protein-CA" charge="-0.1392"/> | |
| <Atom name="HD1" type="protein-HA" charge="0.1374"/> | |
| <Atom name="CE1" type="protein-CA" charge="-0.1602"/> | |
| <Atom name="HE1" type="protein-HA" charge="0.1433"/> | |
| <Atom name="CZ" type="protein-CA" charge="-0.1208"/> | |
| <Atom name="HZ" type="protein-HA" charge="0.1329"/> | |
| <Atom name="CE2" type="protein-CA" charge="-0.1603"/> | |
| <Atom name="HE2" type="protein-HA" charge="0.1433"/> | |
| <Atom name="CD2" type="protein-CA" charge="-0.1391"/> | |
| <Atom name="HD2" type="protein-HA" charge="0.1374"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="HZ"/> | |
| <Bond atomName1="CZ" atomName2="CE2"/> | |
| <Bond atomName1="CE2" atomName2="HE2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NPRO"> | |
| <Atom name="N" type="protein-N3" charge="-0.202"/> | |
| <Atom name="H2" type="protein-H" charge="0.312"/> | |
| <Atom name="H3" type="protein-H" charge="0.312"/> | |
| <Atom name="CD" type="protein-CT" charge="-0.012"/> | |
| <Atom name="HD2" type="protein-HP" charge="0.1"/> | |
| <Atom name="HD3" type="protein-HP" charge="0.1"/> | |
| <Atom name="CG" type="protein-CT" charge="-0.121"/> | |
| <Atom name="HG2" type="protein-HC" charge="0.1"/> | |
| <Atom name="HG3" type="protein-HC" charge="0.1"/> | |
| <Atom name="CB" type="protein-CT" charge="-0.115"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.1"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.1"/> | |
| <Atom name="CA" type="protein-CX" charge="0.1"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1"/> | |
| <Atom name="C" type="protein-C" charge="0.526"/> | |
| <Atom name="O" type="protein-O" charge="-0.5"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CD"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CD" atomName2="HD2"/> | |
| <Bond atomName1="CD" atomName2="HD3"/> | |
| <Bond atomName1="CD" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="HG2"/> | |
| <Bond atomName1="CG" atomName2="HG3"/> | |
| <Bond atomName1="CG" atomName2="CB"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NSER"> | |
| <Atom name="N" type="protein-N3" charge="0.1849"/> | |
| <Atom name="H1" type="protein-H" charge="0.1898"/> | |
| <Atom name="H2" type="protein-H" charge="0.1898"/> | |
| <Atom name="H3" type="protein-H" charge="0.1898"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0567"/> | |
| <Atom name="HA" type="protein-HP" charge="0.0782"/> | |
| <Atom name="CB" type="protein-2C" charge="0.2596"/> | |
| <Atom name="HB2" type="protein-H1" charge="0.0273"/> | |
| <Atom name="HB3" type="protein-H1" charge="0.0273"/> | |
| <Atom name="OG" type="protein-OH" charge="-0.6714"/> | |
| <Atom name="HG" type="protein-HO" charge="0.4239"/> | |
| <Atom name="C" type="protein-C" charge="0.6163"/> | |
| <Atom name="O" type="protein-O" charge="-0.5722"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="OG"/> | |
| <Bond atomName1="OG" atomName2="HG"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NTHR"> | |
| <Atom name="N" type="protein-N3" charge="0.1812"/> | |
| <Atom name="H1" type="protein-H" charge="0.1934"/> | |
| <Atom name="H2" type="protein-H" charge="0.1934"/> | |
| <Atom name="H3" type="protein-H" charge="0.1934"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0034"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1087"/> | |
| <Atom name="CB" type="protein-3C" charge="0.4514"/> | |
| <Atom name="HB" type="protein-H1" charge="-0.0323"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.2554"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.0627"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.0627"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.0627"/> | |
| <Atom name="OG1" type="protein-OH" charge="-0.6764"/> | |
| <Atom name="HG1" type="protein-HO" charge="0.407"/> | |
| <Atom name="C" type="protein-C" charge="0.6163"/> | |
| <Atom name="O" type="protein-O" charge="-0.5722"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CB" atomName2="OG1"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="OG1" atomName2="HG1"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NTRP"> | |
| <Atom name="N" type="protein-N3" charge="0.1913"/> | |
| <Atom name="H1" type="protein-H" charge="0.1888"/> | |
| <Atom name="H2" type="protein-H" charge="0.1888"/> | |
| <Atom name="H3" type="protein-H" charge="0.1888"/> | |
| <Atom name="CA" type="protein-CX" charge="0.0421"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1162"/> | |
| <Atom name="CB" type="protein-CT" charge="0.0543"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0222"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0222"/> | |
| <Atom name="CG" type="protein-C*" charge="-0.1654"/> | |
| <Atom name="CD1" type="protein-CW" charge="-0.1788"/> | |
| <Atom name="HD1" type="protein-H4" charge="0.2195"/> | |
| <Atom name="NE1" type="protein-NA" charge="-0.3444"/> | |
| <Atom name="HE1" type="protein-H" charge="0.3412"/> | |
| <Atom name="CE2" type="protein-CN" charge="0.1575"/> | |
| <Atom name="CZ2" type="protein-CA" charge="-0.271"/> | |
| <Atom name="HZ2" type="protein-HA" charge="0.1589"/> | |
| <Atom name="CH2" type="protein-CA" charge="-0.108"/> | |
| <Atom name="HH2" type="protein-HA" charge="0.1411"/> | |
| <Atom name="CZ3" type="protein-CA" charge="-0.2034"/> | |
| <Atom name="HZ3" type="protein-HA" charge="0.1458"/> | |
| <Atom name="CE3" type="protein-CA" charge="-0.2265"/> | |
| <Atom name="HE3" type="protein-HA" charge="0.1646"/> | |
| <Atom name="CD2" type="protein-CB" charge="0.1132"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="NE1"/> | |
| <Bond atomName1="NE1" atomName2="HE1"/> | |
| <Bond atomName1="NE1" atomName2="CE2"/> | |
| <Bond atomName1="CE2" atomName2="CZ2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CZ2" atomName2="HZ2"/> | |
| <Bond atomName1="CZ2" atomName2="CH2"/> | |
| <Bond atomName1="CH2" atomName2="HH2"/> | |
| <Bond atomName1="CH2" atomName2="CZ3"/> | |
| <Bond atomName1="CZ3" atomName2="HZ3"/> | |
| <Bond atomName1="CZ3" atomName2="CE3"/> | |
| <Bond atomName1="CE3" atomName2="HE3"/> | |
| <Bond atomName1="CE3" atomName2="CD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NTYR"> | |
| <Atom name="N" type="protein-N3" charge="0.194"/> | |
| <Atom name="H1" type="protein-H" charge="0.1873"/> | |
| <Atom name="H2" type="protein-H" charge="0.1873"/> | |
| <Atom name="H3" type="protein-H" charge="0.1873"/> | |
| <Atom name="CA" type="protein-CX" charge="0.057"/> | |
| <Atom name="HA" type="protein-HP" charge="0.0983"/> | |
| <Atom name="CB" type="protein-CT" charge="0.0659"/> | |
| <Atom name="HB2" type="protein-HC" charge="0.0102"/> | |
| <Atom name="HB3" type="protein-HC" charge="0.0102"/> | |
| <Atom name="CG" type="protein-CA" charge="-0.0205"/> | |
| <Atom name="CD1" type="protein-CA" charge="-0.2002"/> | |
| <Atom name="HD1" type="protein-HA" charge="0.172"/> | |
| <Atom name="CE1" type="protein-CA" charge="-0.2239"/> | |
| <Atom name="HE1" type="protein-HA" charge="0.165"/> | |
| <Atom name="CZ" type="protein-C" charge="0.3139"/> | |
| <Atom name="OH" type="protein-OH" charge="-0.5578"/> | |
| <Atom name="HH" type="protein-HO" charge="0.4001"/> | |
| <Atom name="CE2" type="protein-CA" charge="-0.2239"/> | |
| <Atom name="HE2" type="protein-HA" charge="0.165"/> | |
| <Atom name="CD2" type="protein-CA" charge="-0.2002"/> | |
| <Atom name="HD2" type="protein-HA" charge="0.172"/> | |
| <Atom name="C" type="protein-C" charge="0.6123"/> | |
| <Atom name="O" type="protein-O" charge="-0.5713"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB2"/> | |
| <Bond atomName1="CB" atomName2="HB3"/> | |
| <Bond atomName1="CB" atomName2="CG"/> | |
| <Bond atomName1="CG" atomName2="CD1"/> | |
| <Bond atomName1="CG" atomName2="CD2"/> | |
| <Bond atomName1="CD1" atomName2="HD1"/> | |
| <Bond atomName1="CD1" atomName2="CE1"/> | |
| <Bond atomName1="CE1" atomName2="HE1"/> | |
| <Bond atomName1="CE1" atomName2="CZ"/> | |
| <Bond atomName1="CZ" atomName2="OH"/> | |
| <Bond atomName1="CZ" atomName2="CE2"/> | |
| <Bond atomName1="OH" atomName2="HH"/> | |
| <Bond atomName1="CE2" atomName2="HE2"/> | |
| <Bond atomName1="CE2" atomName2="CD2"/> | |
| <Bond atomName1="CD2" atomName2="HD2"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| <Residue name="NVAL"> | |
| <Atom name="N" type="protein-N3" charge="0.0577"/> | |
| <Atom name="H1" type="protein-H" charge="0.2272"/> | |
| <Atom name="H2" type="protein-H" charge="0.2272"/> | |
| <Atom name="H3" type="protein-H" charge="0.2272"/> | |
| <Atom name="CA" type="protein-CX" charge="-0.0054"/> | |
| <Atom name="HA" type="protein-HP" charge="0.1093"/> | |
| <Atom name="CB" type="protein-3C" charge="0.3196"/> | |
| <Atom name="HB" type="protein-HC" charge="-0.0221"/> | |
| <Atom name="CG1" type="protein-CT" charge="-0.3129"/> | |
| <Atom name="HG11" type="protein-HC" charge="0.0735"/> | |
| <Atom name="HG12" type="protein-HC" charge="0.0735"/> | |
| <Atom name="HG13" type="protein-HC" charge="0.0735"/> | |
| <Atom name="CG2" type="protein-CT" charge="-0.3129"/> | |
| <Atom name="HG21" type="protein-HC" charge="0.0735"/> | |
| <Atom name="HG22" type="protein-HC" charge="0.0735"/> | |
| <Atom name="HG23" type="protein-HC" charge="0.0735"/> | |
| <Atom name="C" type="protein-C" charge="0.6163"/> | |
| <Atom name="O" type="protein-O" charge="-0.5722"/> | |
| <Bond atomName1="N" atomName2="H1"/> | |
| <Bond atomName1="N" atomName2="H2"/> | |
| <Bond atomName1="N" atomName2="H3"/> | |
| <Bond atomName1="N" atomName2="CA"/> | |
| <Bond atomName1="CA" atomName2="HA"/> | |
| <Bond atomName1="CA" atomName2="CB"/> | |
| <Bond atomName1="CA" atomName2="C"/> | |
| <Bond atomName1="CB" atomName2="HB"/> | |
| <Bond atomName1="CB" atomName2="CG1"/> | |
| <Bond atomName1="CB" atomName2="CG2"/> | |
| <Bond atomName1="CG1" atomName2="HG11"/> | |
| <Bond atomName1="CG1" atomName2="HG12"/> | |
| <Bond atomName1="CG1" atomName2="HG13"/> | |
| <Bond atomName1="CG2" atomName2="HG21"/> | |
| <Bond atomName1="CG2" atomName2="HG22"/> | |
| <Bond atomName1="CG2" atomName2="HG23"/> | |
| <Bond atomName1="C" atomName2="O"/> | |
| <ExternalBond atomName="C"/> | |
| </Residue> | |
| </Residues> | |
| <HarmonicBondForce> | |
| <Bond type1="protein-C" type2="protein-C" length="0.1525" k="259407.99999999994"/> | |
| <Bond type1="protein-C" type2="protein-CA" length="0.1409" k="392459.19999999995"/> | |
| <Bond type1="protein-C" type2="protein-CB" length="0.1419" k="374049.5999999999"/> | |
| <Bond type1="protein-C" type2="protein-CT" length="0.1522" k="265265.6"/> | |
| <Bond type1="protein-C" type2="protein-CX" length="0.1522" k="265265.6"/> | |
| <Bond type1="protein-C" type2="protein-N" length="0.1335" k="410031.99999999994"/> | |
| <Bond type1="protein-C" type2="protein-NA" length="0.1388" k="349782.3999999999"/> | |
| <Bond type1="protein-C" type2="protein-O" length="0.12290000000000001" k="476975.9999999999"/> | |
| <Bond type1="protein-C" type2="protein-O2" length="0.125" k="548940.7999999999"/> | |
| <Bond type1="protein-C" type2="protein-OH" length="0.13640000000000002" k="376559.99999999994"/> | |
| <Bond type1="protein-C" type2="protein-H4" length="0.10800000000000001" k="307105.5999999999"/> | |
| <Bond type1="protein-C" type2="protein-H5" length="0.10800000000000001" k="307105.5999999999"/> | |
| <Bond type1="protein-CA" type2="protein-CA" length="0.13999999999999999" k="392459.19999999995"/> | |
| <Bond type1="protein-CA" type2="protein-CB" length="0.1404" k="392459.19999999995"/> | |
| <Bond type1="protein-CA" type2="protein-CN" length="0.13999999999999999" k="392459.19999999995"/> | |
| <Bond type1="protein-CA" type2="protein-CT" length="0.15100000000000002" k="265265.6"/> | |
| <Bond type1="protein-CA" type2="protein-HA" length="0.10800000000000001" k="307105.5999999999"/> | |
| <Bond type1="protein-CA" type2="protein-H4" length="0.10800000000000001" k="307105.5999999999"/> | |
| <Bond type1="protein-CA" type2="protein-N2" length="0.134" k="402500.79999999993"/> | |
| <Bond type1="protein-CA" type2="protein-NA" length="0.1381" k="357313.5999999999"/> | |
| <Bond type1="protein-CA" type2="protein-OH" length="0.13640000000000002" k="376559.99999999994"/> | |
| <Bond type1="protein-CB" type2="protein-CB" length="0.137" k="435135.99999999994"/> | |
| <Bond type1="protein-CB" type2="protein-NB" length="0.1391" k="346435.19999999995"/> | |
| <Bond type1="protein-CT" type2="protein-CT" length="0.1526" k="259407.99999999994"/> | |
| <Bond type1="protein-CX" type2="protein-CT" length="0.1526" k="259407.99999999994"/> | |
| <Bond type1="protein-CT" type2="protein-HC" length="0.10900000000000001" k="284511.99999999994"/> | |
| <Bond type1="protein-CT" type2="protein-H1" length="0.10900000000000001" k="284511.99999999994"/> | |
| <Bond type1="protein-CX" type2="protein-H1" length="0.10900000000000001" k="284511.99999999994"/> | |
| <Bond type1="protein-CT" type2="protein-HP" length="0.10900000000000001" k="284511.99999999994"/> | |
| <Bond type1="protein-CX" type2="protein-HP" length="0.10900000000000001" k="284511.99999999994"/> | |
| <Bond type1="protein-CT" type2="protein-N2" length="0.1463" k="282001.5999999999"/> | |
| <Bond type1="protein-CT" type2="protein-OH" length="0.141" k="267775.99999999994"/> | |
| <Bond type1="protein-C*" type2="protein-HC" length="0.10800000000000001" k="307105.5999999999"/> | |
| <Bond type1="protein-C*" type2="protein-CB" length="0.1459" k="324678.39999999997"/> | |
| <Bond type1="protein-C*" type2="protein-CT" length="0.14950000000000002" k="265265.6"/> | |
| <Bond type1="protein-C*" type2="protein-CW" length="0.13520000000000001" k="456892.79999999993"/> | |
| <Bond type1="protein-CB" type2="protein-CN" length="0.1419" k="374049.5999999999"/> | |
| <Bond type1="protein-CC" type2="protein-CT" length="0.1504" k="265265.6"/> | |
| <Bond type1="protein-CC" type2="protein-CV" length="0.1375" k="428441.5999999999"/> | |
| <Bond type1="protein-CC" type2="protein-CW" length="0.1371" k="433462.3999999999"/> | |
| <Bond type1="protein-CC" type2="protein-NA" length="0.1385" k="353129.5999999999"/> | |
| <Bond type1="protein-CC" type2="protein-NB" length="0.1394" k="343087.99999999994"/> | |
| <Bond type1="protein-CN" type2="protein-NA" length="0.13799999999999998" k="358150.3999999999"/> | |
| <Bond type1="protein-CR" type2="protein-H5" length="0.10800000000000001" k="307105.5999999999"/> | |
| <Bond type1="protein-CR" type2="protein-NA" length="0.1343" k="399153.5999999999"/> | |
| <Bond type1="protein-CR" type2="protein-NB" length="0.1335" k="408358.3999999999"/> | |
| <Bond type1="protein-CT" type2="protein-N" length="0.1449" k="282001.5999999999"/> | |
| <Bond type1="protein-CX" type2="protein-N" length="0.1449" k="282001.5999999999"/> | |
| <Bond type1="protein-CT" type2="protein-N3" length="0.1471" k="307105.5999999999"/> | |
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