FMODB ID: 724VK
Calculation Name: 3GRE-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3GRE
Chain ID: A
UniProt ID: P22219
Base Structure: X-ray
Registration Date: 2023-06-26
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 | OptHSide |
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 | 411 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7370923.545863 |
---|---|
FMO2-HF: Nuclear repulsion | 7208324.355372 |
FMO2-HF: Total energy | -162599.190491 |
FMO2-MP2: Total energy | -163068.507632 |
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:1031:GLU)
Summations of interaction energy for
fragment #1(A:1031:GLU)
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. |
41.223 | 43.644 | 0.012 | -1.115 | -1.318 | 0.005 |
Interaction energy analysis for fragmet #1(A:1031:GLU)
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 | 1033 | ILE | 0 | 0.069 | 0.020 | 3.812 | -1.128 | 0.866 | -0.013 | -0.996 | -0.985 | 0.004 |
4 | A | 1034 | GLU | -1 | -0.846 | -0.895 | 5.823 | 18.859 | 18.859 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 1035 | LYS | 1 | 0.900 | 0.943 | 8.325 | -23.350 | -23.350 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 1036 | PHE | 0 | 0.009 | -0.022 | 5.798 | -0.976 | -0.976 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 1037 | LEU | 0 | 0.017 | 0.017 | 9.678 | -0.887 | -0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 1038 | SER | 0 | -0.025 | -0.049 | 12.164 | -0.807 | -0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 1039 | THR | 0 | 0.026 | 0.011 | 13.757 | -1.077 | -1.077 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 1040 | PHE | 0 | -0.026 | 0.039 | 13.171 | -0.835 | -0.835 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 1041 | LYS | 1 | 0.806 | 0.953 | 12.298 | -19.885 | -19.885 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 1042 | ILE | 0 | -0.062 | -0.061 | 14.595 | 0.893 | 0.893 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 1043 | LEU | 0 | 0.018 | 0.032 | 15.070 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 1044 | PRO | 0 | 0.018 | -0.017 | 9.426 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 1045 | PRO | 0 | 0.022 | 0.017 | 12.683 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 1046 | LEU | 0 | 0.064 | 0.023 | 12.679 | 1.387 | 1.387 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 1047 | ARG | 1 | 0.840 | 0.911 | 12.616 | -16.634 | -16.634 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 1048 | ASP | -1 | -0.841 | -0.930 | 8.948 | 23.935 | 23.935 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 1049 | TYR | 0 | -0.101 | -0.055 | 7.851 | 3.789 | 3.789 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 1050 | LYS | 1 | 0.937 | 0.953 | 3.300 | -43.597 | -43.170 | 0.025 | -0.119 | -0.333 | 0.001 |
21 | A | 1051 | GLU | -1 | -0.728 | -0.848 | 8.072 | 26.371 | 26.371 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 1052 | PHE | 0 | -0.007 | -0.019 | 10.223 | -2.073 | -2.073 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 1053 | GLY | 0 | -0.023 | -0.009 | 11.431 | -1.502 | -1.502 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 1054 | PRO | 0 | -0.026 | -0.021 | 12.358 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 1055 | ILE | 0 | -0.006 | 0.012 | 13.672 | -0.749 | -0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 1056 | GLN | 0 | -0.073 | -0.038 | 16.584 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 1057 | GLU | -1 | -0.893 | -0.947 | 19.748 | 12.703 | 12.703 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 1058 | ILE | 0 | -0.042 | -0.024 | 22.725 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 1059 | VAL | 0 | 0.000 | 0.002 | 25.567 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 1060 | ARG | 1 | 0.739 | 0.839 | 28.316 | -8.946 | -8.946 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 1061 | SER | 0 | 0.006 | -0.012 | 31.867 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 1062 | PRO | 0 | 0.030 | 0.032 | 33.618 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 1063 | ASN | 0 | -0.001 | -0.013 | 36.039 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 1064 | MET | 0 | 0.005 | 0.001 | 38.862 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 1065 | GLY | 0 | 0.030 | 0.013 | 41.315 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 1066 | ASN | 0 | -0.039 | -0.018 | 43.060 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 1067 | LEU | 0 | -0.052 | -0.020 | 41.404 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 1068 | ARG | 1 | 0.895 | 0.944 | 42.986 | -7.304 | -7.304 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 1069 | GLY | 0 | 0.062 | 0.049 | 45.876 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 1070 | LYS | 1 | 0.883 | 0.944 | 46.325 | -6.914 | -6.914 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 1071 | LEU | 0 | -0.006 | 0.000 | 44.170 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 1072 | ILE | 0 | -0.091 | -0.068 | 40.016 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 1073 | ALA | 0 | 0.069 | 0.051 | 40.603 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 1074 | THR | 0 | 0.002 | 0.002 | 42.398 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 1075 | LEU | 0 | -0.025 | -0.010 | 36.290 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 1076 | MET | 0 | 0.082 | 0.031 | 40.285 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 1077 | GLU | -1 | -0.792 | -0.847 | 34.483 | 9.390 | 9.390 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 1078 | ASN | 0 | -0.031 | -0.025 | 34.569 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 1079 | GLU | -1 | -0.856 | -0.882 | 38.218 | 7.167 | 7.167 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 1080 | PRO | 0 | -0.084 | -0.054 | 41.310 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 1081 | ASN | 0 | -0.096 | -0.067 | 38.463 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 1082 | SER | 0 | 0.061 | 0.036 | 39.928 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 1083 | ILE | 0 | -0.010 | -0.003 | 35.369 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 1084 | THR | 0 | -0.080 | -0.051 | 34.975 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 1085 | SER | 0 | -0.011 | -0.016 | 32.231 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 1086 | SER | 0 | -0.007 | -0.015 | 31.999 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 1087 | ALA | 0 | -0.008 | 0.006 | 28.573 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 1088 | VAL | 0 | 0.032 | -0.002 | 29.291 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 1089 | SER | 0 | -0.020 | 0.008 | 23.230 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 1090 | PRO | 0 | -0.002 | -0.006 | 26.190 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 1091 | GLY | 0 | 0.043 | 0.011 | 25.658 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 1092 | GLU | -1 | -0.871 | -0.933 | 25.471 | 10.597 | 10.597 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 1093 | THR | 0 | -0.016 | -0.020 | 25.385 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 1094 | PRO | 0 | -0.029 | 0.005 | 26.112 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 1095 | TYR | 0 | -0.054 | -0.065 | 21.569 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 1096 | LEU | 0 | 0.001 | 0.008 | 28.173 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 1097 | ILE | 0 | -0.025 | -0.006 | 25.793 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 1098 | THR | 0 | 0.028 | 0.015 | 29.104 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 1099 | GLY | 0 | 0.046 | 0.009 | 30.716 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 1100 | SER | 0 | 0.032 | 0.026 | 32.081 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 1101 | ASP | -1 | -0.803 | -0.911 | 34.375 | 8.248 | 8.248 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 1102 | GLN | 0 | -0.030 | -0.027 | 35.655 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 1103 | GLY | 0 | -0.038 | -0.008 | 31.656 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 1104 | VAL | 0 | -0.005 | 0.003 | 29.946 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 1105 | ILE | 0 | -0.008 | -0.015 | 26.004 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 1106 | LYS | 1 | 0.834 | 0.908 | 28.559 | -9.588 | -9.588 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 1107 | ILE | 0 | -0.010 | 0.004 | 24.565 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 1108 | TRP | 0 | 0.014 | -0.018 | 27.998 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 1109 | ASN | 0 | 0.031 | 0.007 | 28.834 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 1110 | LEU | 0 | 0.020 | 0.002 | 29.975 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 1111 | LYS | 1 | 0.876 | 0.938 | 30.209 | -10.609 | -10.609 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 1112 | GLU | -1 | -0.828 | -0.908 | 30.644 | 10.408 | 10.408 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 1113 | ILE | 0 | -0.010 | 0.000 | 33.595 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 1114 | ILE | 0 | -0.078 | -0.043 | 36.007 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 1115 | VAL | 0 | -0.029 | -0.016 | 36.013 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 1116 | GLY | 0 | -0.019 | -0.011 | 36.414 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 1117 | GLU | -1 | -0.897 | -0.913 | 37.542 | 7.295 | 7.295 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 1118 | VAL | 0 | -0.029 | -0.004 | 34.445 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 1119 | TYR | 0 | -0.083 | -0.085 | 36.105 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 1120 | SER | 0 | -0.016 | 0.003 | 34.657 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 1121 | SER | 0 | -0.094 | -0.068 | 30.991 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 1122 | SER | 0 | -0.002 | -0.011 | 27.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 1123 | LEU | 0 | -0.016 | -0.006 | 22.748 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 1124 | THR | 0 | -0.004 | 0.005 | 26.956 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 1125 | TYR | 0 | -0.008 | -0.016 | 21.225 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 1126 | ASP | -1 | -0.811 | -0.897 | 26.171 | 10.002 | 10.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 1127 | CYS | 0 | -0.098 | -0.050 | 26.798 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 1128 | SER | 0 | -0.059 | -0.032 | 27.845 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 1129 | SER | 0 | -0.062 | -0.059 | 30.726 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 1130 | THR | 0 | -0.058 | -0.028 | 31.844 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 1131 | VAL | 0 | 0.051 | 0.044 | 30.277 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 1132 | THR | 0 | -0.104 | -0.054 | 31.912 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 1133 | GLN | 0 | -0.011 | -0.016 | 29.824 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 1134 | ILE | 0 | 0.029 | 0.037 | 26.844 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 1135 | THR | 0 | -0.073 | -0.046 | 25.758 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 1136 | MET | 0 | 0.062 | 0.048 | 22.994 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 1137 | ILE | 0 | -0.028 | -0.013 | 18.358 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 1138 | PRO | 0 | -0.011 | -0.016 | 21.309 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 1139 | ASN | 0 | 0.018 | 0.008 | 20.877 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 1140 | PHE | 0 | 0.066 | 0.035 | 14.303 | 0.723 | 0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 1141 | ASP | -1 | -0.739 | -0.814 | 17.696 | 14.697 | 14.697 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 1142 | ALA | 0 | -0.006 | -0.019 | 17.280 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 1143 | PHE | 0 | 0.012 | -0.003 | 19.424 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 1144 | ALA | 0 | 0.000 | 0.001 | 21.941 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 1145 | VAL | 0 | 0.026 | 0.003 | 23.492 | -0.475 | -0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 1146 | SER | 0 | -0.013 | -0.018 | 26.069 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 1147 | SER | 0 | 0.022 | -0.004 | 28.533 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 1148 | LYS | 1 | 0.954 | 0.952 | 30.866 | -8.105 | -8.105 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 1149 | ASP | -1 | -0.820 | -0.857 | 29.728 | 10.120 | 10.120 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 1150 | GLY | 0 | -0.003 | -0.012 | 30.850 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 1151 | GLN | 0 | -0.028 | 0.015 | 24.093 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 1152 | ILE | 0 | 0.006 | -0.005 | 23.860 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 1153 | ILE | 0 | -0.024 | -0.016 | 21.218 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 1154 | VAL | 0 | 0.008 | 0.002 | 18.029 | -0.453 | -0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 1155 | LEU | 0 | -0.021 | 0.000 | 18.671 | 0.729 | 0.729 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 1156 | LYS | 1 | 0.872 | 0.939 | 13.497 | -20.422 | -20.422 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 1157 | VAL | 0 | 0.035 | 0.005 | 17.534 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 1158 | ASN | 0 | -0.071 | -0.035 | 14.995 | 1.218 | 1.218 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 1159 | HIS | 0 | -0.027 | -0.027 | 17.483 | -0.898 | -0.898 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 1160 | TYR | 0 | -0.031 | -0.008 | 17.684 | 1.305 | 1.305 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 1161 | GLN | 0 | 0.036 | 0.022 | 19.650 | -0.706 | -0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 1162 | GLN | 0 | -0.057 | -0.044 | 22.257 | 0.715 | 0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 1163 | GLU | -1 | -0.902 | -0.951 | 25.104 | 10.521 | 10.521 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 1164 | SER | 0 | -0.073 | -0.036 | 25.988 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 1165 | GLU | -1 | -0.870 | -0.923 | 26.902 | 10.608 | 10.608 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 1166 | VAL | 0 | 0.018 | 0.020 | 22.453 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 1167 | LYS | 1 | 0.803 | 0.895 | 23.369 | -12.126 | -12.126 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 1168 | PHE | 0 | 0.014 | -0.007 | 22.366 | 0.756 | 0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 1169 | LEU | 0 | -0.010 | -0.004 | 17.374 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 1170 | ASN | 0 | 0.002 | -0.014 | 17.289 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 1171 | CYS | 0 | -0.009 | 0.016 | 20.015 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 1172 | GLU | -1 | -0.866 | -0.923 | 13.062 | 22.473 | 22.473 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 1173 | CYS | 0 | -0.076 | -0.027 | 17.378 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 1174 | ILE | 0 | 0.051 | 0.030 | 13.346 | 0.752 | 0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 1175 | ARG | 1 | 0.723 | 0.844 | 11.528 | -20.206 | -20.206 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 1176 | LYS | 1 | 0.949 | 0.965 | 17.319 | -14.810 | -14.810 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 1177 | ILE | 0 | -0.011 | 0.020 | 20.372 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 1178 | ASN | 0 | 0.024 | -0.001 | 23.148 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 1179 | LEU | 0 | 0.007 | -0.003 | 26.730 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 1180 | LYS | 1 | 0.912 | 0.949 | 29.442 | -9.038 | -9.038 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 1181 | ASN | 0 | -0.017 | -0.011 | 24.942 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 1182 | PHE | 0 | -0.014 | -0.002 | 26.280 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 1183 | GLY | 0 | -0.021 | -0.009 | 31.387 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 1184 | LYS | 1 | 0.874 | 0.940 | 34.459 | -8.331 | -8.331 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 1185 | ASN | 0 | -0.048 | -0.024 | 34.865 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 1186 | GLU | -1 | -0.750 | -0.841 | 33.162 | 8.659 | 8.659 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 1187 | TYR | 0 | 0.037 | 0.018 | 32.237 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 1188 | ALA | 0 | 0.035 | 0.022 | 30.070 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 1189 | VAL | 0 | -0.015 | -0.004 | 32.028 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 1190 | ARG | 1 | 0.934 | 0.970 | 33.108 | -8.518 | -8.518 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 1191 | MET | 0 | -0.015 | 0.003 | 26.420 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 1192 | ARG | 1 | 0.888 | 0.953 | 28.814 | -9.476 | -9.476 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 1193 | ALA | 0 | 0.049 | 0.031 | 23.615 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 1194 | PHE | 0 | 0.010 | 0.002 | 24.293 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 1195 | VAL | 0 | -0.002 | 0.002 | 18.944 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 1196 | ASN | 0 | 0.031 | 0.018 | 21.667 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 1197 | GLU | -1 | -0.811 | -0.889 | 18.660 | 15.794 | 15.794 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 1198 | GLU | -1 | -0.973 | -0.979 | 19.248 | 13.200 | 13.200 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 1199 | LYS | 1 | 0.777 | 0.890 | 21.102 | -10.470 | -10.470 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 1200 | SER | 0 | 0.044 | 0.008 | 17.972 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 1201 | LEU | 0 | -0.029 | -0.008 | 20.213 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 1202 | LEU | 0 | 0.029 | 0.012 | 22.462 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 1203 | VAL | 0 | -0.010 | -0.005 | 24.377 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 1204 | ALA | 0 | 0.038 | 0.010 | 28.008 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 1205 | LEU | 0 | 0.002 | 0.013 | 29.788 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 1206 | THR | 0 | -0.002 | -0.031 | 32.399 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 1207 | ASN | 0 | 0.038 | 0.013 | 34.733 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 1208 | LEU | 0 | -0.070 | -0.030 | 37.369 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 1209 | SER | 0 | -0.036 | -0.015 | 38.646 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 1210 | ARG | 1 | 0.797 | 0.903 | 33.750 | -8.805 | -8.805 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 1211 | VAL | 0 | 0.019 | 0.010 | 31.832 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 1212 | ILE | 0 | -0.034 | -0.006 | 27.721 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 1213 | ILE | 0 | 0.005 | 0.004 | 25.980 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 1214 | PHE | 0 | 0.008 | -0.002 | 22.457 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 1215 | ASP | -1 | -0.712 | -0.824 | 18.139 | 15.076 | 15.076 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 1216 | ILE | 0 | -0.018 | -0.017 | 16.821 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 1217 | ARG | 1 | 0.810 | 0.876 | 13.922 | -15.684 | -15.684 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 1218 | THR | 0 | -0.013 | -0.011 | 14.150 | 1.046 | 1.046 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 1219 | LEU | 0 | -0.023 | -0.013 | 16.554 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 1220 | GLU | -1 | -0.947 | -0.951 | 19.763 | 12.926 | 12.926 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 1221 | ARG | 1 | 0.882 | 0.949 | 21.537 | -10.666 | -10.666 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 1222 | LEU | 0 | 0.015 | -0.006 | 22.077 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 1223 | GLN | 0 | -0.023 | -0.029 | 26.023 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 1224 | ILE | 0 | -0.046 | -0.021 | 29.691 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 1225 | ILE | 0 | 0.009 | 0.023 | 32.411 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 1226 | GLU | -1 | -0.836 | -0.925 | 35.346 | 8.184 | 8.184 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 1227 | ASN | 0 | 0.044 | 0.017 | 38.510 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 1228 | SER | 0 | 0.021 | 0.011 | 41.288 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 1229 | PRO | 0 | 0.062 | 0.014 | 44.364 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 1230 | ARG | 1 | 0.821 | 0.909 | 46.246 | -6.163 | -6.163 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 1231 | HIS | 1 | 0.809 | 0.889 | 46.077 | -6.687 | -6.687 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 1232 | GLY | 0 | -0.025 | 0.003 | 47.481 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 1233 | ALA | 0 | -0.013 | -0.001 | 43.247 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 1234 | VAL | 0 | 0.032 | -0.005 | 38.432 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 1235 | SER | 0 | -0.037 | -0.042 | 40.377 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 1236 | SER | 0 | -0.058 | -0.022 | 38.256 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 1237 | ILE | 0 | -0.001 | -0.004 | 32.241 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 1238 | CYS | 0 | -0.041 | 0.006 | 33.829 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 1239 | ILE | 0 | 0.045 | 0.017 | 28.413 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 1240 | ASP | -1 | -0.723 | -0.878 | 32.873 | 8.867 | 8.867 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 1241 | GLU | -1 | -0.878 | -0.922 | 31.815 | 9.060 | 9.060 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 1242 | GLU | -1 | -0.835 | -0.902 | 30.576 | 9.117 | 9.117 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 1243 | CYS | 0 | -0.061 | -0.014 | 27.980 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 1244 | CYS | 0 | -0.063 | -0.030 | 29.751 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 1245 | VAL | 0 | -0.006 | 0.001 | 32.402 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 1246 | LEU | 0 | -0.006 | -0.004 | 32.994 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 1247 | ILE | 0 | -0.009 | -0.004 | 35.203 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 1248 | LEU | 0 | -0.011 | -0.009 | 36.656 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 1249 | GLY | 0 | 0.076 | 0.035 | 39.640 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 1250 | THR | 0 | -0.025 | -0.020 | 42.037 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 1251 | THR | 0 | 0.049 | 0.006 | 44.642 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 1252 | ARG | 1 | 0.865 | 0.910 | 47.010 | -6.180 | -6.180 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 1253 | GLY | 0 | 0.063 | 0.046 | 48.345 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 1254 | ILE | 0 | -0.072 | -0.009 | 46.512 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 1255 | ILE | 0 | 0.033 | 0.021 | 42.856 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 1256 | ASP | -1 | -0.749 | -0.824 | 42.446 | 6.699 | 6.699 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 1257 | ILE | 0 | -0.004 | -0.007 | 39.117 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 1258 | TRP | 0 | 0.004 | -0.008 | 37.100 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 1259 | ASP | -1 | -0.830 | -0.912 | 35.576 | 8.661 | 8.661 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 1260 | ILE | 0 | 0.011 | -0.003 | 29.908 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 1261 | ARG | 1 | 0.926 | 0.975 | 31.647 | -8.895 | -8.895 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 1262 | PHE | 0 | -0.047 | -0.047 | 32.631 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 1263 | ASN | 0 | -0.051 | -0.014 | 34.559 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 1264 | VAL | 0 | 0.011 | 0.008 | 36.500 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 1265 | LEU | 0 | -0.031 | 0.003 | 39.767 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 1266 | ILE | 0 | -0.012 | -0.018 | 39.701 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 1267 | ARG | 1 | 0.813 | 0.900 | 43.172 | -6.883 | -6.883 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 1268 | SER | 0 | 0.019 | -0.017 | 44.408 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 1269 | TRP | 0 | -0.072 | -0.029 | 44.485 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 1270 | SER | 0 | -0.001 | -0.013 | 48.580 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 1271 | PHE | 0 | 0.040 | 0.015 | 48.542 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 1272 | GLY | 0 | 0.080 | 0.042 | 53.557 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 1273 | ASP | -1 | -0.865 | -0.913 | 55.390 | 5.535 | 5.535 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 1274 | HIS | 1 | 0.828 | 0.924 | 52.317 | -5.721 | -5.721 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 1275 | ALA | 0 | -0.002 | 0.008 | 51.628 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 1276 | PRO | 0 | -0.015 | -0.016 | 47.213 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 1277 | ILE | 0 | -0.024 | 0.024 | 43.126 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 1278 | THR | 0 | -0.013 | 0.005 | 42.967 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 1279 | HIS | 0 | 0.010 | 0.006 | 38.588 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 1280 | VAL | 0 | -0.018 | -0.005 | 38.053 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 1281 | GLU | -1 | -0.885 | -0.954 | 35.816 | 8.741 | 8.741 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 1282 | VAL | 0 | -0.001 | 0.001 | 35.702 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 1283 | CYS | 0 | -0.034 | -0.007 | 37.435 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 1284 | GLN | 0 | 0.037 | -0.017 | 33.626 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 1285 | PHE | 0 | -0.040 | -0.011 | 37.851 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 1286 | TYR | 0 | -0.003 | -0.013 | 40.847 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 1287 | GLY | 0 | 0.024 | 0.021 | 40.449 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 1288 | LYS | 1 | 0.817 | 0.893 | 35.562 | -8.431 | -8.431 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 1289 | ASN | 0 | -0.056 | -0.036 | 38.366 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 1290 | SER | 0 | 0.000 | -0.006 | 40.639 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 1291 | VAL | 0 | -0.033 | -0.015 | 39.625 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 1292 | ILE | 0 | 0.035 | 0.025 | 40.332 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 1293 | VAL | 0 | -0.017 | -0.012 | 41.961 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 1294 | VAL | 0 | 0.045 | 0.024 | 43.358 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 1295 | GLY | 0 | 0.063 | 0.025 | 45.344 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 1296 | GLY | 0 | 0.009 | -0.005 | 48.189 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 1297 | SER | 0 | -0.042 | -0.042 | 50.096 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 1298 | SER | 0 | -0.065 | -0.069 | 52.273 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 1299 | LYS | 1 | 0.875 | 0.933 | 54.148 | -5.459 | -5.459 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 1300 | THR | 0 | -0.036 | -0.002 | 51.481 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 1301 | PHE | 0 | 0.002 | 0.003 | 49.116 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 1302 | LEU | 0 | -0.001 | 0.012 | 44.836 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 1303 | THR | 0 | -0.007 | -0.003 | 47.363 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 1304 | ILE | 0 | 0.011 | 0.007 | 44.386 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 1305 | TRP | 0 | -0.008 | -0.007 | 45.377 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 1306 | ASN | 0 | 0.041 | 0.022 | 44.691 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 1307 | PHE | 0 | 0.047 | 0.003 | 38.271 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 1308 | VAL | 0 | -0.012 | 0.011 | 42.196 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 1309 | LYS | 1 | 0.925 | 0.942 | 44.731 | -6.429 | -6.429 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 1310 | GLY | 0 | 0.017 | 0.031 | 47.453 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 1311 | HIS | 0 | -0.023 | -0.024 | 48.785 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 1312 | CYS | 0 | -0.007 | 0.014 | 49.277 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 1313 | GLN | 0 | 0.023 | 0.021 | 46.326 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 1314 | TYR | 0 | 0.037 | 0.008 | 48.198 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 1315 | ALA | 0 | 0.031 | 0.020 | 50.435 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 1316 | PHE | 0 | -0.009 | 0.002 | 47.356 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 1317 | ILE | 0 | 0.014 | -0.001 | 52.274 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 1318 | ASN | 0 | -0.064 | -0.035 | 53.284 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 1319 | SER | 0 | -0.018 | -0.023 | 55.287 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 1320 | ASP | -1 | -0.780 | -0.891 | 58.914 | 5.136 | 5.136 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 1321 | GLU | -1 | -0.927 | -0.947 | 61.538 | 4.793 | 4.793 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 1322 | GLN | 0 | -0.022 | -0.011 | 60.573 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 1323 | PRO | 0 | -0.026 | -0.016 | 57.777 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 1324 | SER | 0 | -0.018 | -0.032 | 61.005 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 1325 | MET | 0 | 0.016 | 0.008 | 59.642 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 1326 | GLU | -1 | -0.810 | -0.916 | 58.821 | 5.090 | 5.090 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 1327 | HIS | 0 | -0.062 | 0.025 | 56.378 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 1328 | PHE | 0 | 0.038 | -0.020 | 53.341 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 1329 | LEU | 0 | -0.005 | 0.018 | 54.289 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 1330 | PRO | 0 | -0.016 | 0.008 | 51.664 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 1331 | ILE | 0 | -0.028 | -0.011 | 53.318 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 1332 | GLU | -1 | -0.837 | -0.953 | 51.753 | 6.021 | 6.021 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 1333 | LYS | 1 | 0.836 | 0.921 | 53.081 | -5.711 | -5.711 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 1334 | GLY | 0 | 0.073 | 0.030 | 55.732 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 1335 | LEU | 0 | -0.016 | -0.007 | 49.836 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 1336 | GLU | -1 | -0.820 | -0.915 | 49.934 | 6.239 | 6.239 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 1337 | GLU | -1 | -0.915 | -0.950 | 53.306 | 5.477 | 5.477 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 1338 | LEU | 0 | -0.045 | 0.005 | 52.370 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 1339 | ASN | 0 | 0.014 | 0.008 | 54.068 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 1340 | PHE | 0 | 0.029 | -0.002 | 49.439 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 1341 | CYS | 0 | -0.017 | -0.004 | 53.115 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 1342 | GLY | 0 | 0.028 | 0.033 | 51.768 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 1343 | ILE | 0 | 0.008 | -0.004 | 47.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 1344 | ARG | 1 | 0.899 | 0.931 | 51.503 | -5.572 | -5.572 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 1345 | SER | 0 | 0.013 | 0.009 | 53.057 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 1346 | LEU | 0 | 0.099 | 0.048 | 51.513 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 1347 | ASN | 0 | 0.005 | -0.006 | 50.430 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 1348 | ALA | 0 | -0.069 | -0.038 | 49.283 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 1349 | LEU | 0 | -0.027 | -0.015 | 46.267 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 1350 | SER | 0 | -0.026 | 0.001 | 44.954 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 1351 | THR | 0 | 0.016 | 0.008 | 39.627 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 1352 | ILE | 0 | 0.003 | -0.018 | 39.326 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 1353 | SER | 0 | 0.011 | 0.023 | 36.211 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 1354 | VAL | 0 | -0.001 | 0.002 | 37.150 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 1355 | SER | 0 | 0.013 | 0.001 | 36.372 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 1356 | ASN | 0 | 0.002 | -0.016 | 36.999 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 1357 | ASP | -1 | -0.810 | -0.896 | 38.518 | 7.266 | 7.266 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 1358 | LYS | 1 | 0.780 | 0.891 | 41.157 | -7.386 | -7.386 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 1359 | ILE | 0 | 0.019 | 0.012 | 41.057 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 1360 | LEU | 0 | -0.024 | -0.001 | 40.811 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 1361 | LEU | 0 | 0.013 | -0.002 | 42.418 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 1362 | THR | 0 | 0.041 | 0.039 | 44.081 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 1363 | ASP | -1 | -0.805 | -0.885 | 46.031 | 6.006 | 6.006 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 1364 | GLU | -1 | -0.743 | -0.878 | 47.052 | 6.599 | 6.599 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 1365 | ALA | 0 | -0.074 | -0.021 | 50.572 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 1366 | THR | 0 | -0.091 | -0.069 | 53.364 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 1367 | SER | 0 | -0.025 | -0.003 | 51.283 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 1368 | SER | 0 | -0.008 | -0.017 | 50.286 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 1369 | ILE | 0 | -0.007 | 0.005 | 43.729 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 1370 | VAL | 0 | -0.001 | -0.005 | 47.555 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 1371 | MET | 0 | -0.044 | -0.007 | 44.724 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 1372 | PHE | 0 | 0.027 | -0.011 | 46.253 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 1373 | SER | 0 | -0.004 | -0.007 | 45.902 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 1374 | LEU | 0 | -0.027 | -0.017 | 42.941 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 1375 | ASN | 0 | 0.004 | 0.006 | 45.885 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 1376 | GLU | -1 | -0.891 | -0.920 | 47.709 | 5.784 | 5.784 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 1377 | LEU | 0 | 0.057 | 0.030 | 49.605 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 1378 | SER | 0 | -0.047 | -0.034 | 52.158 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 1379 | SER | 0 | -0.035 | -0.017 | 51.318 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 1380 | SER | 0 | -0.072 | -0.048 | 50.394 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 1381 | LYS | 1 | 0.945 | 0.984 | 49.030 | -6.552 | -6.552 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 1382 | ALA | 0 | 0.036 | 0.028 | 50.162 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 1383 | VAL | 0 | -0.054 | -0.025 | 45.726 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 1384 | ILE | 0 | 0.032 | 0.033 | 44.674 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 1385 | SER | 0 | -0.003 | -0.010 | 49.181 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 1386 | PRO | 0 | 0.070 | 0.046 | 52.455 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 1387 | SER | 0 | 0.005 | -0.011 | 55.369 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 1388 | ARG | 1 | 0.865 | 0.929 | 57.606 | -5.357 | -5.357 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 1389 | PHE | 0 | 0.009 | -0.012 | 56.986 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 1390 | SER | -1 | -0.718 | -0.823 | 56.887 | 5.550 | 5.550 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 1391 | ASP | -1 | -0.840 | -0.908 | 54.932 | 5.776 | 5.776 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 1392 | VAL | 0 | 0.012 | 0.006 | 56.931 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 1393 | PHE | 0 | 0.017 | 0.005 | 52.890 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 1394 | ILE | 0 | 0.006 | -0.007 | 56.596 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 1395 | PRO | 0 | -0.028 | -0.004 | 55.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 1396 | THR | 0 | 0.017 | 0.006 | 57.278 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 1397 | GLN | 0 | -0.025 | -0.012 | 57.577 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 1398 | VAL | 0 | -0.001 | -0.005 | 58.777 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 1399 | THR | 0 | -0.002 | -0.014 | 58.073 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 1400 | ALA | 0 | 0.001 | -0.009 | 58.611 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 1401 | ASN | 0 | -0.042 | -0.022 | 53.588 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 1402 | LEU | 0 | 0.007 | 0.030 | 53.688 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 1403 | THR | 0 | -0.020 | -0.003 | 53.825 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 1404 | MET | 0 | -0.018 | 0.004 | 54.153 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 1405 | LEU | 0 | -0.010 | 0.002 | 51.980 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 1406 | LEU | 0 | -0.004 | 0.005 | 55.443 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 1407 | ARG | 1 | 0.872 | 0.922 | 53.873 | -5.809 | -5.809 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 1408 | LYS | 1 | 0.835 | 0.911 | 57.852 | -5.062 | -5.062 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 1409 | MET | 0 | -0.041 | -0.017 | 58.393 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 1410 | LYS | 1 | 0.743 | 0.861 | 60.466 | -5.407 | -5.407 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 1424 | HIS | 0 | -0.081 | -0.049 | 47.583 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 1425 | ASP | -1 | -0.880 | -0.945 | 46.714 | 6.534 | 6.534 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 1426 | ILE | 0 | -0.040 | -0.016 | 45.313 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 1427 | ILE | 0 | -0.011 | -0.013 | 41.846 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 1428 | ASN | 0 | -0.061 | -0.036 | 39.461 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 1429 | SER | 0 | -0.064 | -0.024 | 35.966 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 1430 | ILE | 0 | 0.010 | 0.012 | 38.143 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 1431 | SER | 0 | -0.001 | 0.005 | 33.731 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 1432 | THR | 0 | -0.033 | -0.039 | 34.896 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 1433 | CYS | 0 | -0.026 | 0.003 | 32.039 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 1434 | GLU | -1 | -0.752 | -0.873 | 33.059 | 8.434 | 8.434 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 1435 | VAL | 0 | -0.026 | -0.012 | 32.588 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 1436 | ASP | -1 | -0.840 | -0.894 | 32.772 | 9.430 | 9.430 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 1437 | GLU | -1 | -0.838 | -0.901 | 34.741 | 8.041 | 8.041 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 1438 | THR | 0 | -0.030 | -0.019 | 36.907 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 1439 | PRO | 0 | -0.033 | -0.009 | 37.556 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 1440 | LEU | 0 | -0.002 | -0.018 | 34.885 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 1441 | LEU | 0 | -0.022 | -0.012 | 37.631 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 1442 | VAL | 0 | 0.006 | 0.000 | 35.046 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 1443 | ALA | 0 | -0.001 | -0.002 | 38.134 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 1444 | CYS | 0 | -0.004 | 0.011 | 36.815 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 1445 | ASP | -1 | -0.723 | -0.846 | 39.477 | 7.257 | 7.257 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 1446 | ASN | 0 | -0.073 | -0.063 | 41.415 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 1447 | SER | 0 | -0.071 | -0.053 | 43.216 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 1448 | GLY | 0 | 0.006 | -0.001 | 40.081 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 1449 | LEU | 0 | -0.037 | -0.004 | 40.323 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 1450 | ILE | 0 | -0.002 | -0.013 | 35.611 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 1451 | GLY | 0 | -0.003 | 0.008 | 39.888 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 1452 | ILE | 0 | 0.016 | -0.004 | 36.556 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 1453 | PHE | 0 | 0.029 | 0.010 | 40.512 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 1454 | GLN | 0 | 0.031 | 0.003 | 39.390 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |