set: normal ACE O type: O charge: -0.5679 ALA N type: N charge: -0.4157 ALA O type: O charge: -0.5679 ARG CZ type: Ca charge: 0.8076 ARG N type: N charge: -0.3479 ARG NE type: N2 charge: -0.5295 ARG NH1 type: N2 charge: -0.8627 ARG NH2 type: N2 charge: -0.8627 ARG O type: O charge: -0.5894 ASH N type: N charge: -0.4157 ASH O type: O charge: -0.5679 ASH OD1 type: O charge: -0.5554 ASH OD2 type: OH charge: -0.6376 ASN N type: N charge: -0.4157 ASN ND2 type: N charge: -0.9191 ASN O type: O charge: -0.5679 ASN OD1 type: O charge: -0.5931 ASP N type: N charge: -0.5163 ASP O type: O charge: -0.5819 ASP OD1 type: O2 charge: -0.8014 ASP OD2 type: O2 charge: -0.8014 CYM N type: N charge: -0.463 CYM O type: O charge: -0.504 CYM SG type: SH charge: -0.736 CYS N type: N charge: -0.4157 CYS O type: O charge: -0.5679 CYS SG type: SH charge: -0.3119 CYX N type: N charge: -0.4157 CYX O type: O charge: -0.5679 CYX SG type: S charge: -0.1081 GLN N type: N charge: -0.4157 GLN NE2 type: N charge: -0.9407 GLN O type: O charge: -0.5679 GLN OE1 type: O charge: -0.6086 GLP N type: N charge: -0.4157 GLP O type: O charge: -0.5679 GLP OE1 type: O charge: -0.5838 GLP OE2 type: OH charge: -0.6511 GLU N type: N charge: -0.5163 GLU O type: O charge: -0.5819 GLU OE1 type: O2 charge: -0.8188 GLU OE2 type: O2 charge: -0.8188 GLY N type: N charge: -0.4157 GLY O type: O charge: -0.5679 HID CD2 type: Ca charge: 0.1292 HID CE1 type: Ca charge: 0.2057 HID CG type: Ca charge: -0.0266 HID N type: N charge: -0.4157 HID ND1 type: Na charge: -0.3811 HID NE2 type: Na charge: -0.5727 HID O type: O charge: -0.5679 HIE CD2 type: Ca charge: -0.2207 HIE CE1 type: Ca charge: 0.1635 HIE CG type: Ca charge: 0.1868 HIE N type: N charge: -0.4157 HIE ND1 type: Na charge: -0.5432 HIE NE2 type: Na charge: -0.2795 HIE O type: O charge: -0.5679 HIP CD2 type: Ca charge: -0.1141 HIP CE1 type: Ca charge: -0.017 HIP CG type: Ca charge: -0.0012 HIP N type: N charge: -0.3479 HIP ND1 type: Na charge: -0.1513 HIP NE2 type: Na charge: -0.1718 HIP O type: O charge: -0.5894 ILE N type: N charge: -0.4157 ILE O type: O charge: -0.5679 LEU N type: N charge: -0.4157 LEU O type: O charge: -0.5679 LYS N type: N charge: -0.3479 LYS NZ type: N3 charge: -0.3854 LYS O type: O charge: -0.5894 MET N type: N charge: -0.4157 MET O type: O charge: -0.5679 MET SD type: S charge: -0.2737 NME N type: N charge: -0.4157 PHE CD1 type: Ca charge: -0.1256 PHE CD2 type: Ca charge: -0.1256 PHE CE1 type: Ca charge: -0.1704 PHE CE2 type: Ca charge: -0.1704 PHE CG type: Ca charge: 0.0118 PHE CZ type: Ca charge: -0.1072 PHE N type: N charge: -0.4157 PHE O type: O charge: -0.5679 PRO N type: N charge: -0.2548 PRO O type: O charge: -0.5748 SER N type: N charge: -0.4157 SER O type: O charge: -0.5679 SER OG type: OH charge: -0.6546 THR N type: N charge: -0.4157 THR O type: O charge: -0.5679 THR OG1 type: OH charge: -0.6761 TRP CD1 type: Ca charge: -0.1638 TRP CD2 type: Ca charge: 0.1243 TRP CE2 type: Ca charge: 0.138 TRP CE3 type: Ca charge: -0.2387 TRP CG type: Ca charge: -0.1415 TRP CH2 type: Ca charge: -0.1134 TRP CZ2 type: Ca charge: -0.2601 TRP CZ3 type: Ca charge: -0.1972 TRP N type: N charge: -0.4157 TRP NE1 type: Na charge: -0.3418 TRP O type: O charge: -0.5679 TYR CD1 type: Ca charge: -0.1906 TYR CD2 type: Ca charge: -0.1906 TYR CE1 type: Ca charge: -0.2341 TYR CE2 type: Ca charge: -0.2341 TYR CG type: Ca charge: -0.0011 TYR N type: N charge: -0.4157 TYR O type: O charge: -0.5679 TYR OH type: OH charge: -0.5579 VAL N type: N charge: -0.4157 VAL O type: O charge: -0.5679 set: n_terminal ALA N type: N3 charge: 0.1414 ALA O type: O charge: -0.5722 ARG CZ type: Ca charge: 0.8281 ARG N type: N3 charge: 0.1305 ARG NE type: N2 charge: -0.565 ARG NH1 type: N2 charge: -0.8693 ARG NH2 type: N2 charge: -0.8693 ARG O type: O charge: -0.6013 ASH N type: N3 charge: 0.0782 ASH O type: O charge: -0.5889 ASH OD1 type: O charge: -0.8084 ASH OD2 type: OH charge: -0.8084 ASN N type: N3 charge: 0.1801 ASN ND2 type: N charge: -0.8634 ASN O type: O charge: -0.5722 ASN OD1 type: O charge: -0.5744 ASP N type: N3 charge: 0.0782 ASP O type: O charge: -0.5889 ASP OD1 type: O2 charge: -0.8084 ASP OD2 type: O2 charge: -0.8084 CYS N type: N3 charge: 0.1325 CYS O type: O charge: -0.5713 CYS SG type: SH charge: -0.3298 CYX N type: N3 charge: 0.2069 CYX O type: O charge: -0.5713 CYX SG type: S charge: -0.0984 GLN N type: N3 charge: 0.1493 GLN NE2 type: N charge: -1.0031 GLN O type: O charge: -0.5713 GLN OE1 type: O charge: -0.6133 GLP N type: N3 charge: 0.0017 GLP O type: O charge: -0.5889 GLP OE1 type: O charge: -0.8189 GLP OE2 type: OH charge: -0.8189 GLU N type: N3 charge: 0.0017 GLU O type: O charge: -0.5889 GLU OE1 type: O2 charge: -0.8189 GLU OE2 type: O2 charge: -0.8189 GLY N type: N3 charge: 0.2943 GLY O type: O charge: -0.5722 HID CD2 type: Ca charge: 0.1046 HID CE1 type: Ca charge: 0.2127 HID CG type: Ca charge: -0.0399 HID N type: N3 charge: 0.1542 HID ND1 type: Na charge: -0.3819 HID NE2 type: Na charge: -0.5711 HID O type: O charge: -0.5713 HIE CD2 type: Ca charge: -0.2349 HIE CE1 type: Ca charge: 0.1804 HIE CG type: Ca charge: 0.174 HIE N type: N3 charge: 0.1472 HIE ND1 type: Na charge: -0.5579 HIE NE2 type: Na charge: -0.2781 HIE O type: O charge: -0.5713 HIP CD2 type: Ca charge: -0.1433 HIP CE1 type: Ca charge: -0.0011 HIP CG type: Ca charge: -0.0236 HIP N type: N3 charge: 0.256 HIP ND1 type: Na charge: -0.151 HIP NE2 type: Na charge: -0.1739 HIP O type: O charge: -0.6013 ILE N type: N3 charge: 0.0311 ILE O type: O charge: -0.5713 LEU N type: N3 charge: 0.101 LEU O type: O charge: -0.5713 LYS N type: N3 charge: 0.0966 LYS NZ type: N3 charge: -0.3764 LYS O type: O charge: -0.6013 MET N type: N3 charge: 0.1592 MET O type: O charge: -0.5713 MET SD type: S charge: -0.2774 PHE CD1 type: Ca charge: -0.1392 PHE CD2 type: Ca charge: -0.1391 PHE CE1 type: Ca charge: -0.1602 PHE CE2 type: Ca charge: -0.1603 PHE CG type: Ca charge: 0.0031 PHE CZ type: Ca charge: -0.1208 PHE N type: N3 charge: 0.1737 PHE O type: O charge: -0.5713 PRO N type: N3 charge: -0.202 PRO O type: O charge: -0.5 SER N type: N3 charge: 0.1849 SER O type: O charge: -0.5722 SER OG type: OH charge: -0.6714 THR N type: N3 charge: 0.1812 THR O type: O charge: -0.5722 THR OG1 type: OH charge: -0.6764 TRP CD1 type: Ca charge: -0.1788 TRP CD2 type: Ca charge: 0.1132 TRP CE2 type: Ca charge: 0.1575 TRP CE3 type: Ca charge: -0.2265 TRP CG type: Ca charge: -0.1654 TRP CH2 type: Ca charge: -0.108 TRP CZ2 type: Ca charge: -0.271 TRP CZ3 type: Ca charge: -0.2034 TRP N type: N3 charge: 0.1913 TRP NE1 type: Na charge: -0.3444 TRP O type: O charge: -0.5713 TYR CD1 type: Ca charge: -0.2002 TYR CD2 type: Ca charge: -0.2002 TYR CE1 type: Ca charge: -0.2239 TYR CE2 type: Ca charge: -0.2239 TYR CG type: Ca charge: -0.0205 TYR N type: N3 charge: 0.194 TYR O type: O charge: -0.5713 TYR OH type: OH charge: -0.5578 VAL N type: N3 charge: 0.0577 VAL O type: O charge: -0.5722 set: c_terminal ALA N type: N charge: -0.3821 ALA O type: O2 charge: -0.8055 ALA OXT type: O2 charge: -0.8055 ARG CZ type: Ca charge: 0.8368 ARG N type: N charge: -0.3481 ARG NE type: N2 charge: -0.5564 ARG NH1 type: N2 charge: -0.8737 ARG NH2 type: N2 charge: -0.8737 ARG O type: O2 charge: -0.8266 ARG OXT type: O2 charge: -0.8266 ASH N type: N charge: -0.5192 ASH O type: O2 charge: -0.7887 ASH OD1 type: O charge: -0.8162 ASH OD2 type: OH charge: -0.8162 ASH OXT type: O2 charge: -0.7887 ASN N type: N charge: -0.3821 ASN ND2 type: N charge: -0.9084 ASN O type: O2 charge: -0.8147 ASN OD1 type: O charge: -0.601 ASN OXT type: O2 charge: -0.8147 ASP N type: N charge: -0.5192 ASP O type: O2 charge: -0.7887 ASP OD1 type: O2 charge: -0.8162 ASP OD2 type: O2 charge: -0.8162 ASP OXT type: O2 charge: -0.7887 CYS N type: N charge: -0.3821 CYS O type: O2 charge: -0.7981 CYS OXT type: O2 charge: -0.7981 CYS SG type: SH charge: -0.3102 CYX N type: N charge: -0.3821 CYX O type: O2 charge: -0.8041 CYX OXT type: O2 charge: -0.8041 CYX SG type: S charge: -0.0529 GLN N type: N charge: -0.3821 GLN NE2 type: N charge: -0.9574 GLN O type: O2 charge: -0.8042 GLN OE1 type: O charge: -0.6098 GLN OXT type: O2 charge: -0.8042 GLP N type: N charge: -0.5192 GLP O type: O2 charge: -0.793 GLP OE1 type: O charge: -0.822 GLP OE2 type: OH charge: -0.822 GLP OXT type: O2 charge: -0.793 GLU N type: N charge: -0.5192 GLU O type: O2 charge: -0.793 GLU OE1 type: O2 charge: -0.822 GLU OE2 type: O2 charge: -0.822 GLU OXT type: O2 charge: -0.793 GLY N type: N charge: -0.3821 GLY O type: O2 charge: -0.7855 GLY OXT type: O2 charge: -0.7855 HID CD2 type: Ca charge: 0.1001 HID CE1 type: Ca charge: 0.1925 HID CG type: Ca charge: 0.0293 HID N type: N charge: -0.3821 HID ND1 type: Na charge: -0.3892 HID NE2 type: Na charge: -0.5629 HID O type: O2 charge: -0.8016 HID OXT type: O2 charge: -0.8016 HIE CD2 type: Ca charge: -0.2588 HIE CE1 type: Ca charge: 0.1558 HIE CG type: Ca charge: 0.2724 HIE N type: N charge: -0.3821 HIE ND1 type: Na charge: -0.5517 HIE NE2 type: Na charge: -0.267 HIE O type: O2 charge: -0.8065 HIE OXT type: O2 charge: -0.8065 HIP CD2 type: Ca charge: -0.1256 HIP CE1 type: Ca charge: -0.0251 HIP CG type: Ca charge: 0.0298 HIP N type: N charge: -0.3481 HIP ND1 type: Na charge: -0.1501 HIP NE2 type: Na charge: -0.1683 HIP O type: O2 charge: -0.8177 HIP OXT type: O2 charge: -0.8177 ILE N type: N charge: -0.3821 ILE O type: O2 charge: -0.819 ILE OXT type: O2 charge: -0.819 LEU N type: N charge: -0.3821 LEU O type: O2 charge: -0.8199 LEU OXT type: O2 charge: -0.8199 LYS N type: N charge: -0.3481 LYS NZ type: N3 charge: -0.3741 LYS O type: O2 charge: -0.8252 LYS OXT type: O2 charge: -0.8252 MET N type: N charge: -0.3821 MET O type: O2 charge: -0.8105 MET OXT type: O2 charge: -0.8105 MET SD type: S charge: -0.2692 PHE CD1 type: Ca charge: -0.13 PHE CD2 type: Ca charge: -0.13 PHE CE1 type: Ca charge: -0.1847 PHE CE2 type: Ca charge: -0.1847 PHE CG type: Ca charge: 0.0552 PHE CZ type: Ca charge: -0.0944 PHE N type: N charge: -0.3821 PHE O type: O2 charge: -0.8026 PHE OXT type: O2 charge: -0.8026 PRO N type: N charge: -0.2802 PRO O type: O2 charge: -0.7697 PRO OXT type: O2 charge: -0.7697 SER N type: N charge: -0.3821 SER O type: O2 charge: -0.8132 SER OG type: OH charge: -0.6514 SER OXT type: O2 charge: -0.8132 THR N type: N charge: -0.3821 THR O type: O2 charge: -0.8044 THR OG1 type: OH charge: -0.6496 THR OXT type: O2 charge: -0.8044 TRP CD1 type: Ca charge: -0.1808 TRP CD2 type: Ca charge: 0.1078 TRP CE2 type: Ca charge: 0.1222 TRP CE3 type: Ca charge: -0.1837 TRP CG type: Ca charge: -0.0796 TRP CH2 type: Ca charge: -0.102 TRP CZ2 type: Ca charge: -0.2594 TRP CZ3 type: Ca charge: -0.2287 TRP N type: N charge: -0.3821 TRP NE1 type: Na charge: -0.3316 TRP O type: O2 charge: -0.8011 TRP OXT type: O2 charge: -0.8011 TYR CD1 type: Ca charge: -0.1922 TYR CD2 type: Ca charge: -0.1922 TYR CE1 type: Ca charge: -0.2458 TYR CE2 type: Ca charge: -0.2458 TYR CG type: Ca charge: 0.0243 TYR N type: N charge: -0.3821 TYR O type: O2 charge: -0.807 TYR OH type: OH charge: -0.5643 TYR OXT type: O2 charge: -0.807 VAL N type: N charge: -0.3821 VAL O type: O2 charge: -0.8173 VAL OXT type: O2 charge: -0.8173