FMODB ID: L7LZ9
Calculation Name: 1CQZ-A-Xray372
Preferred Name: Epoxide hydratase
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 1CQZ
Chain ID: A
ChEMBL ID: CHEMBL4140
UniProt ID: P34914
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 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 | 487 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9497212.419145 |
---|---|
FMO2-HF: Nuclear repulsion | 9300734.83048 |
FMO2-HF: Total energy | -196477.588665 |
FMO2-MP2: Total energy | -197041.705061 |
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:4:ARG)
Summations of interaction energy for
fragment #1(A:4:ARG)
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. |
-130.38 | -129.543 | 17.197 | -4.272 | -13.761 | -0.044 |
Interaction energy analysis for fragmet #1(A:4:ARG)
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 | 6 | ALA | 0 | -0.019 | 0.001 | 3.278 | -7.702 | -3.413 | 0.010 | -2.452 | -1.847 | -0.002 |
4 | A | 7 | ALA | 0 | 0.008 | -0.013 | 6.103 | 2.440 | 2.440 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 8 | PHE | 0 | 0.010 | -0.025 | 9.312 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | ASP | -1 | -0.725 | -0.857 | 12.707 | -14.903 | -14.903 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | LEU | 0 | -0.041 | -0.048 | 16.246 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | ASP | -1 | -0.880 | -0.943 | 19.385 | -12.828 | -12.828 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | GLY | 0 | 0.050 | 0.009 | 20.692 | 0.758 | 0.758 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | VAL | 0 | -0.056 | -0.016 | 15.090 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | LEU | 0 | -0.008 | -0.001 | 14.637 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | ALA | 0 | -0.019 | -0.025 | 18.626 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | LEU | 0 | -0.041 | -0.001 | 22.131 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | PRO | 0 | 0.018 | -0.013 | 25.134 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | SER | 0 | 0.047 | 0.030 | 24.365 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | ILE | 0 | -0.039 | 0.015 | 26.005 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 48 | GLY | 0 | 0.015 | -0.005 | 33.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 49 | PRO | 0 | 0.046 | 0.018 | 34.619 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 50 | THR | 0 | 0.076 | -0.024 | 31.153 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 51 | GLU | -1 | -0.969 | -0.980 | 29.766 | -10.221 | -10.221 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 52 | GLN | 0 | -0.029 | -0.024 | 29.505 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 53 | LEU | 0 | 0.002 | -0.019 | 30.563 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 54 | MET | 0 | 0.009 | 0.016 | 25.603 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 55 | LYS | 1 | 0.910 | 0.995 | 26.123 | 10.671 | 10.671 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 56 | GLY | 0 | 0.074 | 0.038 | 27.389 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 57 | LYS | 1 | 0.849 | 0.942 | 29.587 | 9.663 | 9.663 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 58 | ILE | 0 | -0.015 | 0.021 | 33.028 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 59 | THR | 0 | -0.056 | -0.045 | 33.089 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 60 | PHE | 0 | 0.012 | 0.005 | 32.792 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 61 | SER | 0 | -0.008 | -0.032 | 34.731 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 62 | GLN | 0 | -0.085 | 0.021 | 37.100 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 63 | TRP | 0 | 0.016 | 0.053 | 33.160 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 90 | GLN | 0 | 0.079 | 0.019 | 39.180 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 91 | ILE | 0 | 0.007 | 0.010 | 38.671 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 92 | PHE | 0 | -0.046 | -0.030 | 31.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 93 | SER | 0 | 0.042 | 0.036 | 34.114 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 94 | GLN | 0 | 0.063 | 0.007 | 33.951 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 95 | ALA | 0 | -0.035 | 0.006 | 32.705 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 96 | MET | 0 | -0.042 | 0.008 | 29.077 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 97 | ALA | 0 | 0.020 | -0.012 | 30.099 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 98 | ALA | 0 | -0.097 | -0.046 | 31.906 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 99 | ARG | 1 | 0.926 | 0.985 | 23.975 | 11.809 | 11.809 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 100 | SER | 0 | -0.039 | -0.031 | 26.718 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 101 | ILE | 0 | 0.052 | 0.022 | 20.682 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 102 | ASN | 0 | 0.000 | 0.028 | 19.930 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 103 | ARG | 1 | 0.942 | 0.934 | 19.405 | 11.706 | 11.706 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 104 | PRO | 0 | -0.019 | 0.012 | 18.825 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 105 | MET | 0 | 0.008 | 0.006 | 13.365 | -0.950 | -0.950 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 106 | LEU | 0 | 0.018 | 0.003 | 14.787 | -1.095 | -1.095 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 107 | GLN | 0 | -0.055 | -0.032 | 15.163 | -1.317 | -1.317 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 108 | ALA | 0 | 0.011 | 0.006 | 12.253 | -0.655 | -0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 109 | ALA | 0 | 0.048 | 0.024 | 10.548 | -1.675 | -1.675 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 110 | ILE | 0 | -0.012 | -0.008 | 10.547 | -1.377 | -1.377 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 111 | ALA | 0 | -0.030 | 0.003 | 11.012 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 112 | LEU | 0 | 0.012 | 0.006 | 5.732 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 113 | LYS | 1 | 1.026 | 1.023 | 6.844 | 17.826 | 17.826 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 114 | LYS | 1 | 0.931 | 0.976 | 8.604 | 16.953 | 16.953 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 115 | LYS | 1 | 0.800 | 0.889 | 6.411 | 33.755 | 33.755 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 116 | GLY | 0 | -0.001 | 0.010 | 6.040 | -1.294 | -1.294 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 117 | PHE | 0 | -0.083 | -0.052 | 2.804 | -12.047 | -8.918 | 0.850 | -1.322 | -2.657 | -0.014 |
61 | A | 118 | THR | 0 | 0.000 | 0.004 | 3.645 | 2.166 | 2.878 | 0.000 | -0.302 | -0.410 | 0.000 |
62 | A | 119 | THR | 0 | 0.005 | -0.003 | 5.490 | -3.188 | -3.188 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 120 | CYS | 0 | -0.053 | -0.035 | 8.599 | 1.711 | 1.711 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 121 | ILE | 0 | 0.055 | 0.032 | 11.426 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 122 | VAL | 0 | 0.005 | 0.020 | 13.069 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 123 | THR | 0 | -0.019 | -0.013 | 15.500 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 124 | ASN | 0 | 0.021 | -0.006 | 18.837 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 125 | ASN | 0 | 0.041 | 0.018 | 22.228 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 126 | TRP | 0 | -0.048 | -0.062 | 24.186 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 127 | LEU | 0 | 0.018 | 0.014 | 27.881 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 128 | ASP | -1 | -0.812 | -0.912 | 30.324 | -9.211 | -9.211 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 129 | ASP | -1 | -0.804 | -0.896 | 32.216 | -8.559 | -8.559 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 130 | GLY | 0 | 0.035 | 0.010 | 34.842 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 131 | ASP | -1 | -0.880 | -0.938 | 36.535 | -7.753 | -7.753 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 132 | LYS | 1 | 0.883 | 0.949 | 35.658 | 8.109 | 8.109 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 133 | ARG | 1 | 0.903 | 0.939 | 32.683 | 8.279 | 8.279 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 134 | ASP | -1 | -0.912 | -0.967 | 31.573 | -9.031 | -9.031 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 135 | SER | 0 | 0.026 | 0.014 | 30.519 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 136 | LEU | 0 | 0.069 | 0.018 | 26.322 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 137 | ALA | 0 | 0.002 | 0.023 | 26.729 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 138 | GLN | 0 | 0.022 | 0.011 | 26.514 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 139 | MET | 0 | -0.006 | 0.013 | 23.402 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 140 | MET | 0 | 0.014 | 0.004 | 22.183 | -0.812 | -0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 141 | CYS | 0 | -0.067 | -0.050 | 21.920 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 142 | GLU | -1 | -0.853 | -0.924 | 21.950 | -12.369 | -12.369 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 143 | LEU | 0 | -0.046 | -0.036 | 18.139 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 144 | SER | 0 | -0.011 | -0.017 | 17.443 | -0.779 | -0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 145 | GLN | 0 | 0.041 | 0.036 | 17.029 | -0.835 | -0.835 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 146 | HIS | 0 | -0.099 | -0.047 | 14.260 | -0.848 | -0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 147 | PHE | 0 | -0.033 | -0.027 | 11.975 | -1.590 | -1.590 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 148 | ASP | -1 | -0.809 | -0.887 | 8.692 | -24.085 | -24.085 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 149 | PHE | 0 | -0.066 | -0.040 | 9.360 | 0.951 | 0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 150 | LEU | 0 | -0.001 | -0.012 | 13.263 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 151 | ILE | 0 | -0.009 | 0.014 | 13.110 | 0.750 | 0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 152 | GLU | -1 | -0.893 | -0.952 | 16.964 | -13.276 | -13.276 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 153 | SER | 0 | 0.003 | -0.041 | 20.373 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 154 | CYS | 0 | -0.079 | -0.037 | 22.259 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 155 | GLN | 0 | 0.028 | 0.010 | 22.651 | 0.592 | 0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 156 | VAL | 0 | -0.096 | -0.026 | 19.882 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 157 | GLY | 0 | -0.032 | 0.005 | 22.893 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 158 | MET | 0 | -0.046 | -0.029 | 19.982 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 159 | ILE | 0 | -0.017 | -0.003 | 22.316 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 160 | LYS | 1 | 0.828 | 0.932 | 17.041 | 15.822 | 15.822 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 161 | PRO | 0 | -0.010 | -0.031 | 20.090 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 162 | GLU | -1 | -0.943 | -0.976 | 20.767 | -12.519 | -12.519 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 163 | PRO | 0 | 0.049 | 0.002 | 19.092 | -0.598 | -0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 164 | GLN | 0 | -0.006 | 0.005 | 18.502 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 165 | ILE | 0 | 0.032 | 0.017 | 17.626 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 166 | TYR | 0 | -0.007 | -0.011 | 14.061 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 167 | ASN | 0 | -0.027 | -0.023 | 13.780 | -1.808 | -1.808 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 168 | PHE | 0 | 0.054 | 0.045 | 15.164 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 169 | LEU | 0 | 0.004 | 0.023 | 9.869 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 170 | LEU | 0 | -0.026 | -0.024 | 9.773 | -1.002 | -1.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 171 | ASP | -1 | -0.923 | -0.950 | 10.436 | -19.555 | -19.555 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 172 | THR | 0 | -0.100 | -0.082 | 12.435 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 173 | LEU | 0 | -0.025 | -0.024 | 6.774 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 174 | LYS | 1 | 0.895 | 0.978 | 8.319 | 19.289 | 19.289 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 175 | ALA | 0 | -0.036 | -0.026 | 5.685 | -1.846 | -1.846 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 176 | LYS | 1 | 0.946 | 0.979 | 6.662 | 35.704 | 35.704 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 177 | PRO | 0 | -0.022 | -0.007 | 6.517 | -3.924 | -3.924 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 178 | ASN | 0 | 0.004 | 0.031 | 4.137 | -1.716 | -1.489 | 0.000 | -0.030 | -0.196 | 0.000 |
122 | A | 179 | GLU | -1 | -0.915 | -0.980 | 1.939 | -55.968 | -61.509 | 15.725 | -3.658 | -6.525 | -0.014 |
123 | A | 180 | VAL | 0 | 0.014 | -0.005 | 2.670 | 4.201 | 1.920 | 0.612 | 3.527 | -1.858 | -0.014 |
124 | A | 181 | VAL | 0 | -0.002 | 0.013 | 3.925 | 2.968 | 3.270 | 0.000 | -0.035 | -0.268 | 0.000 |
125 | A | 182 | PHE | 0 | -0.026 | -0.014 | 6.174 | 1.184 | 1.184 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 183 | LEU | 0 | -0.037 | -0.023 | 9.495 | 0.812 | 0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 184 | ASP | -1 | -0.797 | -0.943 | 12.521 | -15.764 | -15.764 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 185 | ASP | -1 | -0.849 | -0.930 | 16.127 | -14.465 | -14.465 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 186 | PHE | 0 | 0.028 | 0.023 | 19.425 | 0.803 | 0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 187 | GLY | 0 | -0.008 | 0.005 | 18.669 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 188 | SER | 0 | -0.068 | -0.061 | 19.662 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 189 | ASN | 0 | 0.041 | 0.016 | 18.924 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 190 | LEU | 0 | -0.004 | 0.018 | 13.394 | -0.677 | -0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 191 | LYS | 1 | 0.933 | 0.970 | 15.856 | 12.744 | 12.744 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 192 | PRO | 0 | 0.051 | 0.013 | 16.951 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 193 | ALA | 0 | 0.078 | 0.036 | 11.873 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 194 | ARG | 1 | 0.900 | 0.962 | 10.212 | 23.096 | 23.096 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 195 | ASP | -1 | -0.958 | -0.973 | 13.211 | -17.075 | -17.075 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 196 | MET | 0 | -0.060 | -0.025 | 12.700 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 197 | GLY | 0 | -0.033 | -0.009 | 10.332 | -0.714 | -0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 198 | MET | 0 | 0.013 | -0.010 | 7.819 | -2.988 | -2.988 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 199 | VAL | 0 | -0.085 | -0.043 | 5.220 | 3.442 | 3.442 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 200 | THR | 0 | 0.018 | 0.024 | 8.175 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 201 | ILE | 0 | -0.011 | -0.003 | 9.259 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 202 | LEU | 0 | 0.013 | -0.004 | 12.544 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 203 | VAL | 0 | -0.037 | -0.016 | 15.614 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 204 | HIS | 0 | 0.032 | 0.017 | 17.737 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 205 | ASN | 0 | -0.035 | 0.013 | 18.523 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 206 | THR | 0 | 0.064 | 0.019 | 22.114 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 207 | ALA | 0 | 0.037 | -0.008 | 17.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 208 | SER | 0 | 0.011 | 0.009 | 17.147 | -0.988 | -0.988 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 209 | ALA | 0 | 0.077 | 0.008 | 17.378 | -0.528 | -0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 210 | LEU | 0 | -0.029 | 0.026 | 13.429 | -0.698 | -0.698 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 211 | ARG | 1 | 0.997 | 0.970 | 13.100 | 14.558 | 14.558 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 212 | GLU | -1 | -0.949 | -0.979 | 12.830 | -16.849 | -16.849 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 213 | LEU | 0 | 0.026 | 0.022 | 10.925 | -1.029 | -1.029 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 214 | GLU | -1 | -0.867 | -0.927 | 8.009 | -31.811 | -31.811 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 215 | LYS | 1 | 0.900 | 0.980 | 8.714 | 16.231 | 16.231 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 216 | VAL | 0 | -0.152 | -0.059 | 9.899 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 217 | THR | 0 | -0.042 | -0.051 | 5.737 | -1.045 | -1.045 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 218 | GLY | 0 | 0.010 | 0.024 | 5.491 | -4.025 | -4.025 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 219 | THR | 0 | -0.048 | -0.043 | 6.453 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 220 | GLN | 0 | 0.004 | -0.010 | 9.873 | 1.056 | 1.056 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 221 | PHE | 0 | -0.015 | 0.013 | 9.979 | 1.029 | 1.029 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 222 | PRO | 0 | 0.010 | 0.006 | 14.842 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 223 | GLU | -1 | -0.963 | -0.997 | 18.646 | -13.736 | -13.736 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 224 | ALA | 0 | -0.003 | 0.018 | 21.484 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 225 | PRO | 0 | -0.058 | -0.032 | 19.396 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 226 | LEU | 0 | 0.045 | 0.019 | 21.019 | 0.470 | 0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 227 | PRO | 0 | -0.051 | -0.013 | 21.478 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 228 | VAL | 0 | 0.035 | -0.007 | 18.860 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 229 | PRO | 0 | -0.005 | 0.011 | 18.494 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 230 | CYS | 0 | -0.005 | 0.010 | 19.599 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 231 | ASN | 0 | -0.005 | -0.050 | 17.259 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 232 | PRO | 0 | 0.028 | 0.031 | 19.384 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 233 | ASN | 0 | -0.024 | -0.010 | 18.815 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 234 | ASP | -1 | -0.899 | -0.924 | 17.280 | -14.442 | -14.442 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 235 | VAL | 0 | -0.066 | -0.041 | 20.816 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 236 | SER | 0 | -0.016 | 0.005 | 24.416 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 237 | HIS | 0 | 0.075 | 0.036 | 25.600 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 238 | GLY | 0 | 0.030 | 0.023 | 30.229 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 239 | TYR | 0 | -0.024 | -0.047 | 31.766 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 240 | VAL | 0 | 0.004 | 0.023 | 36.991 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 241 | THR | 0 | 0.019 | 0.000 | 40.593 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 242 | VAL | 0 | -0.018 | -0.009 | 43.534 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 243 | LYS | 1 | 0.893 | 0.952 | 46.043 | 6.166 | 6.166 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 244 | PRO | 0 | -0.002 | -0.006 | 47.388 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 245 | GLY | 0 | 0.024 | 0.020 | 47.151 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 246 | ILE | 0 | -0.041 | -0.018 | 44.020 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 247 | ARG | 1 | 0.962 | 0.965 | 36.215 | 7.734 | 7.734 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 248 | LEU | 0 | 0.013 | 0.010 | 38.979 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 249 | HIS | 1 | 0.834 | 0.923 | 30.402 | 8.965 | 8.965 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 250 | PHE | 0 | -0.023 | -0.016 | 33.376 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 251 | VAL | 0 | 0.041 | 0.035 | 27.337 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 252 | GLU | -1 | -0.879 | -0.941 | 29.705 | -8.223 | -8.223 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 253 | MET | 0 | 0.000 | -0.005 | 23.918 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 254 | GLY | 0 | 0.060 | 0.040 | 29.020 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 255 | SER | 0 | -0.061 | -0.050 | 30.391 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 256 | GLY | 0 | 0.003 | 0.004 | 33.729 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 257 | PRO | 0 | 0.063 | 0.049 | 36.996 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 258 | ALA | 0 | 0.012 | -0.010 | 37.649 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 259 | LEU | 0 | 0.007 | -0.002 | 34.641 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 260 | CYS | 0 | -0.022 | 0.006 | 36.009 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 261 | LEU | 0 | 0.018 | 0.023 | 31.578 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 262 | CYS | 0 | -0.031 | -0.022 | 35.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 263 | HIS | 0 | 0.037 | 0.038 | 34.213 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 264 | GLY | 0 | 0.052 | 0.022 | 36.217 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 265 | PHE | 0 | -0.015 | 0.024 | 36.802 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 266 | PRO | 0 | -0.043 | -0.015 | 35.763 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 267 | GLU | -1 | -0.823 | -0.966 | 32.649 | -8.780 | -8.780 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 268 | SER | 0 | 0.022 | -0.015 | 29.482 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 269 | TRP | 0 | 0.096 | 0.058 | 24.842 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 270 | PHE | 0 | -0.005 | -0.005 | 22.220 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 271 | SER | 0 | 0.038 | 0.027 | 26.961 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 272 | TRP | 0 | -0.032 | -0.013 | 28.919 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 273 | ARG | 1 | 0.834 | 0.909 | 22.923 | 11.002 | 11.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 274 | TYR | 0 | 0.024 | 0.002 | 21.922 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 275 | GLN | 0 | -0.004 | -0.014 | 25.676 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 276 | ILE | 0 | 0.014 | 0.008 | 25.918 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 277 | PRO | 0 | 0.031 | 0.013 | 23.128 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 278 | ALA | 0 | 0.036 | 0.019 | 25.541 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 279 | LEU | 0 | -0.007 | -0.012 | 27.279 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 280 | ALA | 0 | -0.035 | 0.003 | 27.650 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 281 | GLN | 0 | -0.026 | -0.025 | 22.981 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 282 | ALA | 0 | -0.089 | -0.024 | 28.474 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 283 | GLY | 0 | -0.011 | -0.002 | 31.617 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 284 | PHE | 0 | -0.002 | 0.003 | 32.750 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 285 | ARG | 1 | 0.807 | 0.919 | 32.569 | 7.676 | 7.676 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 286 | VAL | 0 | 0.019 | -0.006 | 30.569 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 287 | LEU | 0 | -0.005 | -0.011 | 32.605 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 288 | ALA | 0 | -0.014 | -0.003 | 30.715 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 289 | ILE | 0 | 0.002 | -0.013 | 32.496 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 290 | ASP | -1 | -0.803 | -0.874 | 33.028 | -8.849 | -8.849 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 291 | MET | 0 | -0.017 | -0.019 | 35.384 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 292 | LYS | 1 | 0.785 | 0.892 | 38.880 | 6.283 | 6.283 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 293 | GLY | 0 | -0.008 | -0.016 | 41.056 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 294 | TYR | 0 | -0.007 | -0.008 | 35.719 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 295 | GLY | 0 | -0.002 | -0.011 | 33.351 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 296 | ASP | -1 | -0.881 | -0.941 | 31.000 | -8.928 | -8.928 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 297 | SER | 0 | -0.066 | -0.041 | 34.378 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 298 | SER | 0 | -0.048 | -0.019 | 37.903 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 299 | SER | 0 | 0.031 | 0.029 | 40.118 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 300 | PRO | 0 | -0.036 | -0.003 | 42.075 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 301 | PRO | 0 | 0.050 | 0.023 | 45.691 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 302 | GLU | -1 | -0.861 | -0.935 | 47.789 | -5.911 | -5.911 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 303 | ILE | 0 | 0.036 | 0.016 | 49.572 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 304 | GLU | -1 | -0.950 | -0.985 | 50.934 | -5.587 | -5.587 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 305 | GLU | -1 | -0.824 | -0.912 | 47.986 | -5.989 | -5.989 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 306 | TYR | 0 | -0.014 | -0.044 | 43.410 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 307 | ALA | 0 | -0.015 | 0.009 | 48.459 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 308 | MET | 0 | 0.030 | 0.006 | 47.009 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 309 | GLU | -1 | -0.929 | -0.978 | 50.115 | -5.384 | -5.384 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 310 | LEU | 0 | -0.109 | -0.050 | 49.159 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 311 | LEU | 0 | 0.019 | 0.009 | 44.929 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 312 | CYS | 0 | -0.020 | 0.009 | 46.532 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 313 | LYS | 1 | 1.009 | 1.012 | 48.418 | 5.516 | 5.516 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 314 | GLU | -1 | -0.876 | -0.967 | 46.163 | -6.312 | -6.312 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 315 | MET | 0 | 0.033 | 0.020 | 40.982 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 316 | VAL | 0 | -0.013 | 0.003 | 45.035 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 317 | THR | 0 | -0.033 | -0.014 | 47.077 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 318 | PHE | 0 | -0.026 | -0.016 | 37.628 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 319 | LEU | 0 | -0.020 | 0.001 | 42.227 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 320 | ASP | -1 | -0.833 | -0.924 | 44.382 | -6.114 | -6.114 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 321 | LYS | 1 | 0.843 | 0.922 | 44.225 | 6.242 | 6.242 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 322 | LEU | 0 | -0.015 | -0.002 | 38.415 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 323 | GLY | 0 | -0.019 | 0.003 | 42.126 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 324 | ILE | 0 | -0.035 | -0.006 | 39.722 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 325 | PRO | 0 | 0.052 | 0.011 | 43.850 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 326 | GLN | 0 | -0.062 | -0.053 | 45.115 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 327 | ALA | 0 | -0.006 | 0.021 | 40.925 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 328 | VAL | 0 | -0.021 | 0.010 | 39.425 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 329 | PHE | 0 | -0.032 | -0.019 | 40.058 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 330 | ILE | 0 | 0.044 | 0.008 | 36.074 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 331 | GLY | 0 | -0.018 | -0.004 | 38.234 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 332 | HIS | 0 | 0.017 | -0.007 | 36.607 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 333 | ASP | -1 | -0.769 | -0.844 | 39.065 | -7.306 | -7.306 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 334 | TRP | 0 | 0.020 | -0.020 | 40.947 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 335 | ALA | 0 | 0.029 | 0.028 | 39.726 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 336 | GLY | 0 | 0.007 | 0.017 | 41.723 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 337 | VAL | 0 | 0.020 | 0.014 | 43.044 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 338 | MET | 0 | 0.043 | 0.012 | 41.842 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 339 | VAL | 0 | 0.019 | 0.010 | 42.055 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 340 | TRP | 0 | -0.040 | -0.034 | 45.089 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 341 | ASN | 0 | -0.071 | -0.067 | 48.166 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 342 | MET | 0 | -0.033 | 0.005 | 45.644 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 343 | ALA | 0 | 0.009 | 0.010 | 48.350 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 344 | LEU | 0 | -0.077 | -0.023 | 49.943 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 345 | PHE | 0 | -0.044 | -0.042 | 52.348 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 346 | TYR | 0 | -0.033 | -0.016 | 50.304 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 347 | PRO | 0 | 0.045 | 0.014 | 50.507 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 348 | GLU | -1 | -0.868 | -0.926 | 50.849 | -5.680 | -5.680 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 349 | ARG | 1 | 0.809 | 0.903 | 47.085 | 6.110 | 6.110 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 350 | VAL | 0 | -0.021 | -0.012 | 45.572 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 351 | ARG | 1 | 0.918 | 0.983 | 43.887 | 6.641 | 6.641 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 352 | ALA | 0 | -0.005 | -0.029 | 43.339 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 353 | VAL | 0 | 0.023 | 0.011 | 43.694 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 354 | ALA | 0 | 0.019 | 0.010 | 40.097 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 355 | SER | 0 | -0.056 | -0.038 | 41.586 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 356 | LEU | 0 | 0.016 | 0.011 | 35.290 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 357 | ASN | 0 | 0.023 | 0.030 | 38.268 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 358 | THR | 0 | -0.042 | -0.052 | 41.809 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 359 | PRO | 0 | 0.030 | -0.008 | 44.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 360 | PHE | 0 | 0.025 | -0.008 | 47.693 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 361 | MET | 0 | -0.039 | -0.043 | 48.245 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 362 | PRO | 0 | -0.035 | 0.000 | 52.679 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 363 | PRO | 0 | -0.005 | -0.006 | 55.551 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 364 | ASP | -1 | -0.816 | -0.912 | 58.076 | -5.069 | -5.069 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 365 | PRO | 0 | -0.045 | -0.036 | 61.777 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 366 | ASP | -1 | -0.912 | -0.958 | 64.278 | -4.638 | -4.638 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 367 | VAL | 0 | -0.006 | -0.001 | 61.531 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 368 | SER | 0 | -0.055 | -0.014 | 61.666 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 369 | PRO | 0 | 0.093 | 0.026 | 57.058 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 370 | MET | 0 | 0.039 | 0.007 | 55.027 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 371 | LYS | 1 | 0.887 | 0.954 | 57.903 | 4.720 | 4.720 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 372 | VAL | 0 | 0.062 | 0.029 | 56.029 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 373 | ILE | 0 | -0.029 | -0.002 | 52.027 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 374 | ARG | 1 | 0.903 | 0.934 | 54.831 | 5.018 | 5.018 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 375 | SER | 0 | 0.007 | 0.017 | 57.290 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 376 | ILE | 0 | -0.040 | 0.003 | 51.676 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 377 | PRO | 0 | 0.033 | 0.013 | 52.880 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 378 | VAL | 0 | 0.006 | -0.004 | 47.121 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 379 | PHE | 0 | 0.008 | 0.000 | 48.111 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 380 | ASN | 0 | 0.087 | 0.058 | 49.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 381 | TYR | 0 | 0.050 | 0.020 | 45.020 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 382 | GLN | 0 | -0.024 | 0.005 | 47.844 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 383 | LEU | 0 | -0.041 | -0.033 | 48.918 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 384 | TYR | 0 | -0.099 | -0.046 | 45.363 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 385 | PHE | 0 | 0.022 | -0.022 | 42.774 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 386 | GLN | 0 | -0.056 | -0.017 | 48.359 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 387 | GLU | -1 | -0.902 | -0.945 | 51.232 | -5.431 | -5.431 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 388 | PRO | 0 | -0.078 | -0.055 | 49.707 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 389 | GLY | 0 | -0.019 | -0.007 | 47.851 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 390 | VAL | 0 | 0.025 | 0.009 | 47.366 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 391 | ALA | 0 | 0.057 | 0.024 | 44.723 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 392 | GLU | -1 | -0.815 | -0.891 | 43.026 | -6.532 | -6.532 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 393 | ALA | 0 | 0.039 | 0.023 | 42.310 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 394 | GLU | -1 | -0.815 | -0.900 | 42.470 | -7.028 | -7.028 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 395 | LEU | 0 | -0.022 | -0.016 | 39.132 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 396 | GLU | -1 | -0.819 | -0.892 | 37.912 | -7.411 | -7.411 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 397 | LYS | 1 | 0.916 | 0.984 | 37.883 | 7.031 | 7.031 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 398 | ASN | 0 | 0.029 | -0.002 | 34.035 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 399 | MET | 0 | 0.047 | 0.022 | 32.844 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 400 | SER | 0 | 0.039 | 0.037 | 29.384 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 401 | ARG | 1 | 0.925 | 0.976 | 31.260 | 7.676 | 7.676 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 402 | THR | 0 | -0.064 | -0.071 | 33.809 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 403 | PHE | 0 | 0.024 | 0.011 | 30.571 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 404 | LYS | 1 | 0.910 | 0.962 | 27.456 | 10.208 | 10.208 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 405 | SER | 0 | -0.007 | -0.011 | 31.201 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 406 | PHE | 0 | -0.008 | -0.017 | 34.608 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 407 | PHE | 0 | -0.036 | -0.012 | 29.819 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 408 | ARG | 1 | 0.841 | 0.921 | 30.820 | 8.869 | 8.869 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 409 | ALA | 0 | 0.001 | -0.007 | 30.865 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 410 | SER | 0 | -0.050 | -0.026 | 32.810 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 411 | ASP | -1 | -0.937 | -0.964 | 32.867 | -8.999 | -8.999 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 412 | GLU | -1 | -0.773 | -0.888 | 30.046 | -10.027 | -10.027 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 413 | THR | 0 | 0.006 | -0.004 | 34.850 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 414 | GLY | 0 | -0.014 | -0.030 | 36.208 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 415 | PHE | 0 | -0.022 | -0.001 | 36.823 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 416 | ILE | 0 | 0.051 | 0.046 | 38.371 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 417 | ALA | 0 | -0.054 | -0.019 | 40.812 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 418 | VAL | 0 | 0.003 | -0.018 | 43.361 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 419 | HIS | 0 | 0.018 | -0.004 | 45.977 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 420 | LYS | 1 | 0.987 | 0.991 | 46.490 | 6.541 | 6.541 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 421 | ALA | 0 | 0.046 | 0.042 | 47.668 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 422 | THR | 0 | -0.049 | -0.032 | 48.905 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 423 | GLU | -1 | -0.921 | -0.963 | 52.340 | -5.553 | -5.553 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 424 | ILE | 0 | -0.100 | -0.060 | 46.774 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 425 | GLY | 0 | -0.027 | -0.006 | 49.937 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 426 | GLY | 0 | 0.036 | 0.006 | 46.565 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 427 | ILE | 0 | -0.075 | -0.026 | 41.420 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 428 | LEU | 0 | 0.022 | -0.001 | 38.246 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 429 | VAL | 0 | -0.005 | 0.017 | 41.635 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 430 | ASN | 0 | -0.077 | -0.040 | 42.724 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 431 | THR | 0 | -0.014 | -0.001 | 37.217 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 432 | PRO | 0 | -0.037 | -0.008 | 35.886 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 433 | GLU | -1 | -0.872 | -0.954 | 36.883 | -7.604 | -7.604 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 434 | ASP | -1 | -1.008 | -1.014 | 32.839 | -9.061 | -9.061 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 435 | PRO | 0 | -0.044 | 0.016 | 31.919 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 436 | ASN | 0 | 0.066 | 0.028 | 28.609 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 437 | LEU | 0 | -0.071 | -0.048 | 23.175 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 438 | SER | 0 | -0.010 | 0.027 | 27.071 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 439 | LYS | 1 | 0.924 | 0.967 | 25.363 | 9.672 | 9.672 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 440 | ILE | 0 | -0.044 | -0.039 | 25.087 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 441 | THR | 0 | -0.075 | -0.032 | 24.320 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 442 | THR | 0 | 0.040 | -0.024 | 19.163 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 443 | GLU | -1 | -0.841 | -0.940 | 20.775 | -11.989 | -11.989 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 444 | GLU | -1 | -0.875 | -0.928 | 16.678 | -14.808 | -14.808 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 445 | GLU | -1 | -0.841 | -0.886 | 20.653 | -11.911 | -11.911 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 446 | ILE | 0 | -0.041 | -0.023 | 23.201 | 0.576 | 0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 447 | GLU | -1 | -0.879 | -0.977 | 22.066 | -11.646 | -11.646 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 448 | PHE | 0 | -0.028 | 0.001 | 23.897 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 449 | TYR | 0 | -0.016 | -0.025 | 25.609 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 450 | ILE | 0 | -0.007 | 0.015 | 27.202 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 451 | GLN | 0 | -0.047 | -0.047 | 25.748 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 452 | GLN | 0 | -0.051 | -0.015 | 28.759 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 453 | PHE | 0 | 0.038 | 0.005 | 31.153 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 454 | LYS | 1 | 0.873 | 0.958 | 31.404 | 8.963 | 8.963 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 455 | LYS | 1 | 0.860 | 0.942 | 30.022 | 9.379 | 9.379 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 456 | THR | 0 | -0.003 | 0.006 | 35.511 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 457 | GLY | 0 | -0.048 | 0.009 | 37.270 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 458 | PHE | 0 | 0.039 | -0.038 | 36.135 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 459 | ARG | 1 | 0.884 | 0.965 | 40.714 | 6.239 | 6.239 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 460 | GLY | 0 | 0.031 | 0.024 | 42.611 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 461 | PRO | 0 | 0.031 | 0.007 | 39.000 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 462 | LEU | 0 | 0.036 | 0.020 | 41.687 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 463 | ASN | 0 | -0.053 | -0.031 | 44.487 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 464 | TRP | 0 | -0.010 | -0.009 | 42.459 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 465 | TYR | 0 | -0.016 | -0.006 | 42.305 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 466 | ARG | 1 | 0.795 | 0.920 | 47.120 | 6.365 | 6.365 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 467 | ASN | 0 | 0.023 | -0.004 | 50.125 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 468 | THR | 0 | 0.023 | 0.003 | 52.932 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 469 | GLU | -1 | -0.876 | -0.927 | 54.517 | -4.991 | -4.991 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 470 | ARG | 1 | 0.910 | 0.949 | 54.928 | 5.452 | 5.452 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 471 | ASN | 0 | 0.089 | 0.048 | 50.734 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 472 | TRP | 0 | 0.005 | 0.011 | 54.918 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 473 | LYS | 1 | 0.944 | 0.950 | 57.488 | 4.963 | 4.963 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 474 | TRP | 0 | -0.077 | -0.003 | 51.966 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 475 | SER | 0 | 0.087 | 0.008 | 54.984 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 476 | CYS | 0 | -0.009 | -0.002 | 56.864 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 477 | LYS | 1 | 0.875 | 0.938 | 59.506 | 5.071 | 5.071 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 478 | GLY | 0 | -0.030 | -0.011 | 58.616 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 479 | LEU | 0 | -0.001 | 0.011 | 58.882 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 480 | GLY | 0 | -0.011 | 0.000 | 60.936 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 481 | ARG | 1 | 0.859 | 0.947 | 56.967 | 5.290 | 5.290 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 482 | LYS | 1 | 0.956 | 0.974 | 57.401 | 5.086 | 5.086 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 483 | ILE | 0 | -0.030 | -0.005 | 50.825 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 484 | LEU | 0 | 0.004 | -0.019 | 53.886 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 485 | VAL | 0 | -0.010 | 0.031 | 48.779 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 486 | PRO | 0 | 0.016 | -0.003 | 46.655 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 487 | ALA | 0 | 0.026 | 0.011 | 46.379 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 488 | LEU | 0 | 0.019 | 0.022 | 40.370 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 489 | MET | 0 | -0.026 | 0.011 | 44.058 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 490 | VAL | 0 | 0.012 | 0.025 | 38.283 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 491 | THR | 0 | -0.022 | -0.006 | 41.605 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 492 | ALA | 0 | 0.015 | 0.024 | 38.655 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 493 | GLU | -1 | -0.863 | -0.952 | 40.136 | -7.292 | -7.292 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 494 | LYS | 1 | 0.885 | 0.957 | 37.725 | 8.174 | 8.174 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 495 | ASP | -1 | -0.785 | -0.895 | 40.457 | -7.449 | -7.449 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 496 | ILE | 0 | -0.006 | -0.010 | 40.602 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 497 | VAL | 0 | -0.006 | -0.001 | 42.904 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 498 | LEU | 0 | -0.029 | -0.031 | 42.108 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 499 | ARG | 1 | 1.000 | 1.031 | 44.135 | 6.214 | 6.214 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 500 | PRO | 0 | 0.075 | 0.037 | 44.040 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 501 | GLU | -1 | -0.887 | -0.952 | 46.516 | -6.025 | -6.025 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 502 | MET | 0 | -0.050 | -0.017 | 48.595 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 503 | SER | 0 | -0.031 | -0.031 | 48.246 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 504 | LYS | 1 | 0.920 | 0.970 | 50.335 | 5.592 | 5.592 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 505 | ASN | 0 | -0.016 | -0.021 | 53.030 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 506 | MET | 0 | 0.023 | 0.050 | 47.619 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 507 | GLU | -1 | -0.758 | -0.867 | 52.111 | -5.930 | -5.930 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 508 | LYS | 1 | 0.817 | 0.935 | 54.808 | 5.337 | 5.337 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 509 | TRP | 0 | -0.055 | -0.033 | 54.914 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 510 | ILE | 0 | 0.007 | -0.001 | 50.547 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 511 | PRO | 0 | 0.067 | 0.059 | 53.400 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 512 | PHE | 0 | -0.014 | -0.037 | 52.744 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 513 | LEU | 0 | -0.065 | -0.003 | 47.257 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 514 | LYS | 1 | 0.929 | 0.984 | 45.833 | 6.310 | 6.310 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 515 | ARG | 1 | 0.847 | 0.873 | 45.214 | 6.275 | 6.275 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 516 | GLY | 0 | 0.002 | 0.009 | 41.461 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 517 | HIS | 0 | -0.090 | -0.069 | 41.119 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 518 | ILE | 0 | 0.011 | 0.008 | 35.108 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 519 | GLU | -1 | -0.821 | -0.915 | 38.062 | -7.367 | -7.367 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 520 | ASP | -1 | -0.991 | -1.012 | 35.638 | -8.429 | -8.429 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 521 | CYS | 0 | -0.049 | 0.001 | 35.401 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 522 | GLY | 0 | 0.022 | 0.006 | 35.518 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 523 | HIS | 1 | 0.794 | 0.875 | 37.197 | 7.629 | 7.629 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 524 | TRP | 0 | -0.024 | 0.002 | 32.216 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 525 | THR | 0 | 0.050 | -0.009 | 32.505 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 526 | GLN | 0 | -0.034 | -0.008 | 30.800 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 527 | ILE | 0 | 0.009 | 0.003 | 26.729 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 528 | GLU | -1 | -0.822 | -0.903 | 27.839 | -9.224 | -9.224 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 529 | LYS | 1 | 0.910 | 0.961 | 29.729 | 9.076 | 9.076 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 530 | PRO | 0 | 0.062 | 0.043 | 26.189 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 531 | THR | 0 | 0.023 | 0.013 | 26.537 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 532 | GLU | -1 | -0.844 | -0.931 | 28.674 | -9.727 | -9.727 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 533 | VAL | 0 | 0.005 | -0.007 | 31.783 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 534 | ASN | 0 | -0.022 | -0.020 | 27.358 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 535 | GLN | 0 | 0.007 | -0.020 | 31.551 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 536 | ILE | 0 | -0.085 | -0.031 | 33.277 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 537 | LEU | 0 | 0.032 | 0.005 | 34.096 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 538 | ILE | 0 | 0.030 | 0.027 | 30.921 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 539 | LYS | 1 | 0.896 | 0.959 | 34.588 | 8.717 | 8.717 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 540 | TRP | 0 | 0.019 | 0.035 | 38.294 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 541 | LEU | 0 | -0.007 | 0.000 | 36.084 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 542 | GLN | 0 | -0.052 | -0.025 | 35.349 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 543 | THR | 0 | -0.107 | -0.078 | 39.919 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 544 | GLU | -1 | -0.963 | -0.977 | 42.993 | -6.267 | -6.267 | 0.000 | 0.000 | 0.000 | 0.000 |