FMODB ID: N1MRQ
Calculation Name: 5JH5-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5JH5
Chain ID: A
UniProt ID: Q5H9F3
Base Structure: X-ray
Registration Date: 2023-06-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 271 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3674710.966069 |
---|---|
FMO2-HF: Nuclear repulsion | 3561576.203289 |
FMO2-HF: Total energy | -113134.76278 |
FMO2-MP2: Total energy | -113450.419286 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1065:MET)
Summations of interaction energy for
fragment #1(A:1065:MET)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-13.705 | -11.91 | 17.181 | -6.949 | -12.028 | 0.012 |
Interaction energy analysis for fragmet #1(A:1065:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 1067 | ARG | 1 | 0.908 | 0.957 | 3.856 | 0.304 | 1.797 | -0.013 | -0.671 | -0.809 | 0.004 |
4 | A | 1068 | GLU | -1 | -0.876 | -0.958 | 5.403 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 1069 | VAL | 0 | 0.042 | 0.033 | 5.490 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 1070 | TRP | 0 | 0.041 | 0.009 | 1.937 | -0.857 | 0.573 | 5.146 | -2.276 | -4.301 | -0.012 |
7 | A | 1071 | MET | 0 | -0.069 | -0.024 | 6.224 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 1072 | ALA | 0 | 0.022 | 0.022 | 9.172 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 1073 | VAL | 0 | 0.031 | 0.015 | 8.701 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 1074 | PHE | 0 | -0.016 | -0.043 | 6.106 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 1075 | SER | 0 | -0.054 | -0.025 | 11.249 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 1076 | TYR | 0 | 0.022 | 0.017 | 14.081 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 1077 | LEU | 0 | -0.056 | -0.006 | 11.005 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 1078 | SER | 0 | 0.053 | 0.031 | 15.606 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 1079 | HIS | 1 | 0.885 | 0.914 | 16.332 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 1080 | GLN | 0 | 0.063 | 0.038 | 16.879 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 1081 | ASP | -1 | -0.793 | -0.896 | 13.920 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 1082 | LEU | 0 | -0.001 | -0.004 | 11.884 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 1083 | CYS | 0 | -0.063 | -0.043 | 12.140 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 1084 | VAL | 0 | 0.003 | 0.005 | 11.460 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 1085 | CYS | 0 | 0.005 | -0.003 | 8.358 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 1086 | MET | 0 | -0.092 | -0.037 | 7.904 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 1087 | ARG | 1 | 0.914 | 0.950 | 10.203 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 1088 | VAL | 0 | -0.026 | 0.027 | 4.385 | -0.167 | -0.104 | -0.001 | -0.004 | -0.058 | 0.000 |
25 | A | 1089 | CYS | 0 | 0.028 | 0.029 | 3.658 | -0.042 | 0.384 | 0.174 | -0.113 | -0.486 | 0.000 |
26 | A | 1090 | ARG | 1 | 0.997 | 0.989 | 5.919 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 1091 | THR | 0 | 0.031 | 0.007 | 4.345 | -1.320 | -0.964 | 0.014 | -0.100 | -0.270 | 0.001 |
28 | A | 1092 | TRP | 0 | 0.065 | 0.002 | 2.360 | -6.514 | -9.677 | 10.247 | -2.992 | -4.092 | 0.020 |
29 | A | 1093 | ASN | 0 | 0.013 | 0.038 | 6.611 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 1094 | ARG | 1 | 0.928 | 0.950 | 9.217 | -1.208 | -1.208 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 1095 | TRP | 0 | 0.012 | 0.006 | 2.390 | -1.517 | -0.327 | 1.614 | -0.793 | -2.012 | -0.001 |
32 | A | 1096 | CYS | 0 | 0.056 | 0.040 | 9.134 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 1097 | CYS | 0 | -0.074 | -0.018 | 11.001 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 1098 | ASP | -1 | -0.749 | -0.858 | 12.206 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 1099 | LYS | 1 | 1.046 | 1.020 | 14.113 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 1100 | ARG | 1 | 0.812 | 0.875 | 11.753 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 1101 | LEU | 0 | -0.010 | 0.011 | 11.668 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 1102 | TRP | 0 | -0.076 | -0.071 | 15.103 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 1103 | THR | 0 | 0.029 | 0.020 | 19.473 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 1104 | ARG | 1 | 1.001 | 0.999 | 22.260 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 1105 | ILE | 0 | -0.043 | -0.020 | 22.119 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 1106 | ASP | -1 | -0.816 | -0.908 | 24.778 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 1107 | LEU | 0 | -0.073 | -0.047 | 25.093 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 1108 | ASN | 0 | 0.107 | 0.054 | 28.227 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 1109 | HIS | 1 | 0.882 | 0.940 | 30.776 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 1110 | CYS | 0 | -0.031 | 0.004 | 28.135 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 1111 | LYS | 1 | 0.992 | 0.994 | 31.152 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 1112 | SER | 0 | -0.022 | -0.019 | 30.073 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 1113 | ILE | 0 | 0.071 | 0.031 | 29.609 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 1114 | THR | 0 | 0.024 | 0.010 | 26.195 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 1115 | PRO | 0 | 0.051 | 0.010 | 27.791 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 1116 | LEU | 0 | 0.023 | 0.007 | 22.651 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 1117 | MET | 0 | 0.002 | 0.017 | 23.445 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 1118 | LEU | 0 | 0.018 | -0.001 | 24.334 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 1119 | SER | 0 | -0.013 | 0.002 | 23.449 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 1120 | GLY | 0 | 0.014 | -0.003 | 20.709 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 1121 | ILE | 0 | 0.041 | 0.028 | 21.136 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 1122 | ILE | 0 | 0.004 | 0.000 | 23.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 1123 | ARG | 1 | 0.823 | 0.911 | 13.878 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 1124 | ARG | 1 | 0.851 | 0.927 | 16.956 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 1125 | GLN | 0 | -0.116 | -0.055 | 20.001 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 1126 | PRO | 0 | 0.017 | 0.024 | 22.714 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 1127 | VAL | 0 | -0.032 | -0.017 | 23.841 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 1128 | SER | 0 | -0.050 | -0.044 | 26.243 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 1129 | LEU | 0 | -0.027 | -0.021 | 26.907 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 1130 | ASP | -1 | -0.807 | -0.900 | 29.173 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 1131 | LEU | 0 | -0.030 | -0.027 | 29.975 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 1132 | SER | 0 | 0.023 | 0.024 | 32.576 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 1133 | TRP | 0 | -0.005 | -0.003 | 34.352 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 1134 | THR | 0 | -0.087 | -0.044 | 31.750 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 1135 | ASN | 0 | -0.024 | -0.010 | 34.923 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 1136 | ILE | 0 | 0.005 | 0.022 | 32.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 1137 | SER | 0 | 0.011 | 0.003 | 36.120 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 1138 | LYS | 1 | 1.015 | 1.002 | 37.304 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 1139 | LYS | 1 | 0.959 | 0.981 | 36.540 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 1140 | GLN | 0 | 0.032 | 0.005 | 32.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 1141 | LEU | 0 | 0.061 | 0.038 | 33.151 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 1142 | SER | 0 | 0.024 | 0.004 | 34.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 1143 | TRP | 0 | -0.038 | -0.018 | 28.622 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 1144 | LEU | 0 | -0.005 | -0.008 | 28.213 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 1145 | ILE | 0 | 0.022 | 0.012 | 30.694 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 1146 | ASN | 0 | 0.025 | 0.009 | 33.151 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 1147 | ARG | 1 | 0.836 | 0.930 | 28.069 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 1148 | LEU | 0 | 0.003 | 0.014 | 26.205 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 1149 | PRO | 0 | 0.063 | 0.028 | 27.494 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 1150 | GLY | 0 | -0.023 | -0.011 | 27.518 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 1151 | LEU | 0 | 0.024 | 0.019 | 28.380 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 1152 | ARG | 1 | 0.809 | 0.905 | 29.913 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 1153 | ASP | -1 | -0.730 | -0.816 | 30.657 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 1154 | LEU | 0 | -0.008 | -0.007 | 31.381 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 1155 | VAL | 0 | 0.023 | 0.017 | 33.398 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 1156 | LEU | 0 | -0.018 | -0.030 | 34.784 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 1157 | SER | 0 | 0.031 | 0.007 | 37.463 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 1158 | GLY | 0 | 0.060 | 0.013 | 38.323 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 1159 | CYS | 0 | -0.116 | -0.033 | 37.691 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 1160 | SER | 0 | 0.083 | 0.048 | 40.407 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 1161 | TRP | 0 | 0.102 | 0.046 | 42.607 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 1162 | ILE | 0 | 0.029 | 0.008 | 43.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 1163 | ALA | 0 | -0.032 | -0.017 | 38.948 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 1164 | VAL | 0 | 0.059 | 0.021 | 40.364 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 1165 | SER | 0 | -0.023 | -0.016 | 41.577 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 1166 | ALA | 0 | -0.060 | -0.042 | 38.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 1167 | LEU | 0 | -0.044 | -0.033 | 37.544 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 1168 | CYS | 0 | -0.025 | 0.004 | 40.613 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 1169 | SER | 0 | -0.044 | -0.005 | 39.595 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 1170 | SER | 0 | 0.059 | 0.020 | 41.828 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 1171 | SER | 0 | -0.104 | -0.060 | 36.491 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 1172 | CYS | 0 | 0.001 | 0.019 | 36.080 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 1173 | PRO | 0 | -0.012 | 0.005 | 32.757 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 1174 | LEU | 0 | -0.028 | -0.023 | 35.019 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 1175 | LEU | 0 | -0.041 | -0.016 | 34.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 1176 | ARG | 1 | 0.954 | 0.965 | 29.212 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 1177 | THR | 0 | -0.019 | -0.019 | 34.099 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 1178 | LEU | 0 | 0.007 | 0.012 | 35.870 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 1179 | ASP | -1 | -0.813 | -0.899 | 37.485 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 1180 | VAL | 0 | 0.001 | -0.008 | 39.098 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 1181 | GLN | 0 | -0.027 | -0.013 | 40.124 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 1182 | TRP | 0 | 0.035 | 0.014 | 42.368 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 1183 | VAL | 0 | -0.097 | -0.035 | 41.952 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 1184 | GLU | -1 | -0.844 | -0.921 | 44.275 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 1185 | GLY | 0 | -0.013 | -0.017 | 46.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 1186 | LEU | 0 | -0.067 | -0.026 | 45.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 1187 | LYS | 1 | 0.990 | 0.988 | 48.781 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 1188 | ASP | -1 | -0.703 | -0.799 | 51.630 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 1189 | ALA | 0 | -0.060 | -0.030 | 53.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 1190 | GLN | 0 | 0.074 | 0.040 | 48.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 1191 | MET | 0 | 0.034 | 0.011 | 47.210 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 1192 | ARG | 1 | 0.902 | 0.950 | 49.581 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 1193 | ASP | -1 | -0.874 | -0.936 | 49.142 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 1194 | LEU | 0 | -0.069 | -0.040 | 42.694 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 1195 | LEU | 0 | -0.029 | -0.006 | 45.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 1196 | SER | 0 | -0.108 | -0.032 | 47.819 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 1197 | PRO | 0 | 0.011 | -0.003 | 47.881 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 1198 | PRO | 0 | -0.006 | -0.009 | 45.940 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 1199 | THR | 0 | 0.022 | 0.006 | 48.795 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 1200 | ASP | -1 | -0.832 | -0.917 | 50.355 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 1201 | ASN | 0 | -0.008 | 0.001 | 52.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 1202 | ARG | 1 | 0.769 | 0.855 | 49.927 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 1203 | PRO | 0 | 0.037 | 0.033 | 56.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 1204 | GLY | 0 | 0.011 | -0.008 | 59.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 1205 | GLN | 0 | -0.091 | -0.056 | 55.750 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 1206 | MET | 0 | 0.012 | 0.022 | 52.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 1207 | ASP | -1 | -0.771 | -0.858 | 48.419 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 1208 | ASN | 0 | 0.041 | 0.031 | 47.447 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 1209 | ARG | 1 | 0.936 | 0.962 | 45.591 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 1210 | SER | 0 | 0.015 | 0.006 | 45.040 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 1211 | LYS | 1 | 0.906 | 0.948 | 39.024 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 1212 | LEU | 0 | 0.011 | 0.003 | 40.226 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 1213 | ARG | 1 | 0.900 | 0.954 | 40.714 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 1214 | ASN | 0 | -0.035 | -0.028 | 37.384 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 1215 | ILE | 0 | -0.022 | 0.006 | 38.987 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 1216 | VAL | 0 | 0.013 | -0.001 | 38.424 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 1217 | GLU | -1 | -0.846 | -0.911 | 37.474 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 1218 | LEU | 0 | 0.003 | -0.005 | 39.810 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 1219 | ARG | 1 | 0.806 | 0.890 | 38.442 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 1220 | LEU | 0 | 0.001 | -0.021 | 42.807 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 1221 | ALA | 0 | 0.038 | 0.011 | 44.988 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 1222 | GLY | 0 | 0.028 | -0.003 | 46.415 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 1223 | LEU | 0 | -0.052 | -0.008 | 46.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 1224 | ASP | -1 | -0.901 | -0.953 | 50.009 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 1225 | ILE | 0 | -0.090 | -0.045 | 50.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 1226 | THR | 0 | -0.002 | -0.079 | 53.828 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 1227 | ASP | -1 | -0.785 | -0.915 | 55.533 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 1228 | ALA | 0 | -0.049 | -0.020 | 56.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 1229 | SER | 0 | -0.016 | -0.042 | 51.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 1230 | LEU | 0 | 0.040 | 0.027 | 52.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 1231 | ARG | 1 | 0.972 | 0.992 | 53.100 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 1232 | LEU | 0 | -0.041 | -0.040 | 51.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 1233 | ILE | 0 | 0.021 | 0.017 | 47.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 1234 | ILE | 0 | -0.017 | 0.006 | 49.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 1235 | ARG | 1 | 0.917 | 0.964 | 51.422 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 1236 | HIS | 0 | -0.055 | -0.038 | 47.658 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 1237 | MET | 0 | -0.007 | 0.022 | 43.459 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 1238 | PRO | 0 | -0.030 | -0.023 | 45.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 1239 | LEU | 0 | 0.011 | 0.005 | 40.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 1240 | LEU | 0 | -0.013 | 0.022 | 43.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 1241 | SER | 0 | 0.011 | 0.047 | 42.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 1242 | LYS | 1 | 0.931 | 0.974 | 37.533 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 1243 | LEU | 0 | 0.027 | 0.012 | 43.311 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 1244 | HIS | 0 | 0.005 | -0.003 | 41.480 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 1245 | LEU | 0 | 0.016 | -0.007 | 45.965 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 1246 | SER | 0 | 0.028 | 0.010 | 47.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 1247 | TYR | 0 | 0.052 | 0.026 | 48.028 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 1248 | CYS | 0 | -0.025 | 0.026 | 50.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 1249 | ASN | 0 | 0.057 | 0.002 | 52.909 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 1250 | HIS | 0 | -0.028 | -0.014 | 56.312 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 1251 | VAL | 0 | -0.001 | 0.021 | 53.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 1252 | THR | 0 | 0.025 | 0.015 | 56.919 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 1253 | ASP | -1 | -0.680 | -0.803 | 58.666 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 1254 | GLN | 0 | 0.058 | 0.041 | 59.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 1255 | SER | 0 | -0.050 | -0.059 | 55.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 1256 | ILE | 0 | 0.060 | 0.029 | 54.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 1257 | ASN | 0 | -0.023 | 0.007 | 56.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 1258 | LEU | 0 | -0.069 | -0.038 | 57.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 1259 | LEU | 0 | -0.042 | -0.014 | 51.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 1260 | THR | 0 | 0.026 | 0.002 | 54.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 1261 | ALA | 0 | 0.039 | 0.032 | 56.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 1262 | VAL | 0 | -0.005 | -0.010 | 57.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 1263 | GLY | 0 | 0.023 | 0.012 | 57.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 1264 | THR | 0 | -0.059 | -0.033 | 54.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 1265 | THR | 0 | 0.029 | 0.002 | 49.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 1266 | THR | 0 | 0.009 | -0.020 | 49.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 1267 | ARG | 1 | 0.868 | 0.977 | 51.061 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 1268 | ASP | -1 | -0.873 | -0.947 | 51.330 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 1269 | SER | 0 | -0.075 | -0.054 | 46.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 1270 | LEU | 0 | -0.042 | -0.024 | 46.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 1271 | THR | 0 | -0.031 | -0.009 | 43.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 1272 | GLU | -1 | -0.910 | -0.973 | 41.910 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 1273 | ILE | 0 | -0.008 | -0.001 | 46.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 1274 | ASN | 0 | 0.007 | 0.009 | 45.404 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 1275 | LEU | 0 | -0.001 | -0.010 | 48.300 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 1276 | SER | 0 | 0.003 | 0.018 | 49.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 1277 | ASP | -1 | -0.872 | -0.957 | 51.279 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 1278 | CYS | 0 | -0.092 | -0.012 | 52.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 1279 | ASN | 0 | -0.023 | -0.048 | 55.550 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 1280 | LYS | 1 | 0.880 | 0.936 | 59.028 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 1281 | VAL | 0 | -0.023 | 0.011 | 56.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 1282 | THR | 0 | -0.005 | -0.036 | 59.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 1283 | ASP | -1 | -0.651 | -0.764 | 60.779 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 1284 | GLN | 0 | -0.051 | -0.014 | 62.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 1285 | CYS | 0 | -0.078 | -0.036 | 58.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 1286 | LEU | 0 | 0.062 | 0.025 | 57.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 1287 | SER | 0 | -0.001 | 0.008 | 59.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 1288 | PHE | 0 | -0.038 | -0.030 | 58.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 1289 | PHE | 0 | 0.076 | 0.018 | 53.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 1290 | LYS | 1 | 0.879 | 0.936 | 56.321 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 1291 | ARG | 1 | 0.778 | 0.900 | 58.153 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 1292 | CYS | 0 | -0.068 | -0.033 | 52.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 1293 | GLY | 0 | 0.051 | 0.039 | 53.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 1294 | ASN | 0 | -0.055 | -0.043 | 48.046 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 1295 | ILE | 0 | -0.034 | -0.002 | 48.451 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 1296 | CYS | 0 | -0.047 | -0.035 | 46.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 1297 | HIS | 0 | -0.025 | -0.014 | 45.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 1298 | ILE | 0 | 0.056 | 0.021 | 47.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 1299 | ASP | -1 | -0.781 | -0.854 | 47.695 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 1300 | LEU | 0 | 0.035 | 0.005 | 50.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 1301 | ARG | 1 | 0.905 | 0.917 | 45.596 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 1302 | TYR | 0 | 0.035 | 0.000 | 49.928 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 1303 | CYS | 0 | -0.040 | 0.016 | 54.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 1304 | LYS | 1 | 0.969 | 0.966 | 57.180 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 1305 | GLN | 0 | -0.031 | -0.005 | 60.398 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 1306 | VAL | 0 | -0.007 | 0.018 | 57.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 1307 | THR | 0 | -0.120 | -0.155 | 60.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 1308 | LYS | 1 | 0.964 | 0.976 | 58.850 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 1309 | GLU | -1 | -0.920 | -0.951 | 60.620 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 1310 | GLY | 0 | 0.124 | 0.065 | 62.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 1311 | CYS | 0 | -0.122 | -0.062 | 57.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 1312 | GLU | -1 | -0.878 | -0.950 | 59.553 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 1313 | GLN | 0 | -0.013 | -0.014 | 61.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 1314 | PHE | 0 | -0.034 | -0.029 | 55.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 1315 | ILE | 0 | -0.054 | -0.040 | 56.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 1316 | ALA | 0 | 0.012 | 0.017 | 58.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 1317 | GLU | -1 | -0.859 | -0.899 | 62.469 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 1318 | MET | 0 | -0.037 | -0.009 | 56.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 1319 | SER | 0 | -0.056 | -0.036 | 58.615 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 1320 | VAL | 0 | -0.012 | 0.004 | 59.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 1321 | SER | 0 | -0.032 | -0.012 | 57.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 1322 | VAL | 0 | -0.060 | -0.033 | 53.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 1323 | GLN | 0 | 0.064 | 0.065 | 53.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 1324 | PHE | 0 | -0.018 | -0.020 | 51.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 1325 | GLY | 0 | 0.041 | 0.000 | 52.888 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 1326 | GLN | 0 | -0.014 | -0.013 | 52.112 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 1327 | VAL | 0 | -0.049 | -0.007 | 46.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 1328 | GLU | -1 | -0.914 | -0.979 | 48.879 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 1329 | GLU | -1 | -0.869 | -0.930 | 51.753 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 1330 | LYS | 1 | 0.836 | 0.909 | 54.424 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 1331 | LEU | 0 | -0.067 | 0.000 | 46.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 1332 | LEU | 0 | -0.018 | -0.010 | 51.438 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 1333 | GLN | 0 | 0.020 | -0.005 | 45.051 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 1334 | LYS | 1 | 0.952 | 0.991 | 48.547 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 1335 | LEU | 0 | -0.046 | -0.018 | 47.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |