FMODB ID: 9MY42
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 | 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 | 487 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9496544.551908 |
---|---|
FMO2-HF: Nuclear repulsion | 9300060.128672 |
FMO2-HF: Total energy | -196484.423236 |
FMO2-MP2: Total energy | -197047.81289 |
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. |
-126.907 | -116.968 | 10.103 | -5.877 | -14.163 | -0.033 |
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 | 0.000 | -0.001 | 3.156 | -7.793 | -3.650 | 0.050 | -2.326 | -1.867 | -0.003 |
4 | A | 7 | ALA | 0 | -0.002 | -0.017 | 5.821 | 2.506 | 2.506 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 8 | PHE | 0 | -0.008 | -0.029 | 9.224 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | ASP | -1 | -0.692 | -0.833 | 12.504 | -15.034 | -15.034 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | LEU | 0 | -0.020 | -0.032 | 16.113 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | ASP | -1 | -0.771 | -0.878 | 19.168 | -13.252 | -13.252 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | GLY | 0 | 0.042 | 0.016 | 20.466 | 0.803 | 0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | VAL | 0 | -0.071 | -0.008 | 14.854 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | LEU | 0 | 0.019 | 0.010 | 14.224 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | ALA | 0 | -0.039 | -0.033 | 18.221 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | LEU | 0 | -0.041 | 0.002 | 21.838 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | PRO | 0 | 0.028 | -0.007 | 24.736 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | SER | 0 | 0.032 | 0.024 | 23.751 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | ILE | 0 | -0.016 | 0.016 | 25.725 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 48 | GLY | 0 | 0.020 | 0.001 | 33.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 49 | PRO | 0 | 0.043 | 0.017 | 34.856 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 50 | THR | 0 | 0.060 | 0.009 | 31.204 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 51 | GLU | -1 | -0.873 | -0.922 | 29.627 | -10.555 | -10.555 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 52 | GLN | 0 | -0.027 | -0.024 | 29.743 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 53 | LEU | 0 | -0.017 | -0.007 | 30.371 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 54 | MET | 0 | -0.004 | 0.006 | 25.798 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 55 | LYS | 1 | 0.841 | 0.930 | 26.291 | 10.377 | 10.377 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 56 | GLY | 0 | 0.083 | 0.037 | 27.420 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 57 | LYS | 1 | 0.852 | 0.951 | 29.642 | 9.435 | 9.435 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 58 | ILE | 0 | -0.049 | 0.002 | 33.208 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 59 | THR | 0 | -0.021 | -0.056 | 33.205 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 60 | PHE | 0 | 0.010 | 0.015 | 32.890 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 61 | SER | 0 | -0.022 | -0.029 | 34.727 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 62 | GLN | 0 | -0.068 | 0.002 | 37.440 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 63 | TRP | 0 | 0.008 | 0.014 | 33.063 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 90 | GLN | 0 | 0.063 | 0.011 | 39.010 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 91 | ILE | 0 | -0.003 | 0.010 | 38.501 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 92 | PHE | 0 | -0.021 | -0.019 | 30.864 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 93 | SER | 0 | 0.055 | 0.042 | 33.909 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 94 | GLN | 0 | 0.084 | 0.014 | 33.714 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 95 | ALA | 0 | -0.051 | 0.000 | 32.432 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 96 | MET | 0 | -0.035 | 0.005 | 28.612 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 97 | ALA | 0 | 0.030 | -0.006 | 29.788 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 98 | ALA | 0 | -0.100 | -0.051 | 31.529 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 99 | ARG | 1 | 0.802 | 0.908 | 23.045 | 11.929 | 11.929 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 100 | SER | 0 | -0.019 | -0.027 | 26.271 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 101 | ILE | 0 | 0.049 | 0.023 | 20.464 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 102 | ASN | 0 | -0.006 | 0.018 | 19.474 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 103 | ARG | 1 | 0.911 | 0.916 | 18.997 | 11.873 | 11.873 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 104 | PRO | 0 | 0.004 | 0.019 | 18.727 | -0.547 | -0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 105 | MET | 0 | 0.024 | 0.021 | 12.968 | -0.786 | -0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 106 | LEU | 0 | -0.017 | -0.019 | 14.440 | -1.092 | -1.092 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 107 | GLN | 0 | -0.065 | -0.034 | 15.251 | -1.209 | -1.209 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 108 | ALA | 0 | 0.007 | 0.006 | 12.045 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 109 | ALA | 0 | 0.044 | 0.022 | 10.537 | -1.727 | -1.727 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 110 | ILE | 0 | 0.012 | 0.003 | 10.578 | -1.407 | -1.407 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 111 | ALA | 0 | -0.026 | 0.006 | 11.325 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 112 | LEU | 0 | -0.021 | -0.001 | 5.828 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 113 | LYS | 1 | 0.955 | 0.995 | 6.843 | 16.922 | 16.922 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 114 | LYS | 1 | 0.952 | 0.985 | 8.606 | 16.950 | 16.950 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 115 | LYS | 1 | 0.769 | 0.866 | 5.889 | 35.843 | 35.843 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 116 | GLY | 0 | -0.002 | 0.009 | 6.042 | -1.424 | -1.424 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 117 | PHE | 0 | -0.064 | -0.049 | 2.750 | -14.047 | -10.273 | 1.756 | -1.719 | -3.811 | -0.017 |
61 | A | 118 | THR | 0 | 0.000 | 0.018 | 3.553 | 3.343 | 4.190 | 0.002 | -0.358 | -0.490 | 0.000 |
62 | A | 119 | THR | 0 | -0.049 | -0.049 | 5.480 | -2.484 | -2.484 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 120 | CYS | 0 | -0.051 | -0.030 | 8.600 | 1.845 | 1.845 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 121 | ILE | 0 | 0.057 | 0.027 | 11.377 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 122 | VAL | 0 | -0.012 | 0.011 | 12.769 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 123 | THR | 0 | -0.053 | -0.028 | 15.579 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 124 | ASN | 0 | 0.012 | -0.004 | 18.860 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 125 | ASN | 0 | -0.013 | -0.018 | 22.310 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 126 | TRP | 0 | -0.021 | -0.045 | 24.205 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 127 | LEU | 0 | 0.015 | 0.011 | 27.907 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 128 | ASP | -1 | -0.805 | -0.916 | 30.325 | -9.097 | -9.097 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 129 | ASP | -1 | -0.798 | -0.878 | 32.132 | -8.497 | -8.497 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 130 | GLY | 0 | 0.046 | 0.019 | 34.717 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 131 | ASP | -1 | -0.864 | -0.912 | 36.391 | -7.792 | -7.792 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 132 | LYS | 1 | 0.826 | 0.903 | 35.745 | 8.055 | 8.055 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 133 | ARG | 1 | 0.899 | 0.947 | 32.753 | 8.236 | 8.236 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 134 | ASP | -1 | -0.900 | -0.971 | 31.337 | -9.140 | -9.140 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 135 | SER | 0 | 0.010 | 0.014 | 30.621 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 136 | LEU | 0 | 0.088 | 0.024 | 25.713 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 137 | ALA | 0 | -0.004 | 0.019 | 26.504 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 138 | GLN | 0 | -0.010 | 0.000 | 26.516 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 139 | MET | 0 | -0.007 | 0.013 | 23.056 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 140 | MET | 0 | 0.029 | 0.012 | 22.107 | -0.843 | -0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 141 | CYS | 0 | -0.054 | -0.052 | 21.922 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 142 | GLU | -1 | -0.811 | -0.877 | 21.880 | -12.502 | -12.502 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 143 | LEU | 0 | -0.027 | -0.028 | 17.786 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 144 | SER | 0 | -0.021 | -0.016 | 17.445 | -0.783 | -0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 145 | GLN | 0 | 0.019 | 0.022 | 17.032 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 146 | HIS | 0 | -0.060 | -0.053 | 14.243 | -1.084 | -1.084 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 147 | PHE | 0 | 0.017 | 0.007 | 11.900 | -1.318 | -1.318 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 148 | ASP | -1 | -0.785 | -0.875 | 8.219 | -25.672 | -25.672 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 149 | PHE | 0 | -0.039 | -0.024 | 8.864 | 1.141 | 1.141 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 150 | LEU | 0 | -0.003 | -0.009 | 13.253 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 151 | ILE | 0 | -0.020 | 0.001 | 13.155 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 152 | GLU | -1 | -0.807 | -0.885 | 16.998 | -12.832 | -12.832 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 153 | SER | 0 | 0.039 | -0.006 | 20.462 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 154 | CYS | 0 | -0.097 | -0.037 | 22.437 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 155 | GLN | 0 | -0.099 | -0.057 | 22.527 | 0.796 | 0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 156 | VAL | 0 | -0.041 | -0.022 | 19.688 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 157 | GLY | 0 | -0.029 | 0.012 | 22.926 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 158 | MET | 0 | -0.029 | -0.026 | 19.910 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 159 | ILE | 0 | -0.015 | -0.007 | 22.563 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 160 | LYS | 1 | 0.761 | 0.884 | 17.726 | 15.300 | 15.300 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 161 | PRO | 0 | 0.010 | -0.024 | 20.390 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 162 | GLU | -1 | -0.894 | -0.962 | 20.968 | -12.465 | -12.465 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 163 | PRO | 0 | 0.003 | -0.011 | 19.152 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 164 | GLN | 0 | 0.002 | 0.002 | 18.474 | -0.590 | -0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 165 | ILE | 0 | 0.057 | 0.041 | 17.740 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 166 | TYR | 0 | -0.029 | -0.023 | 13.942 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 167 | ASN | 0 | -0.043 | -0.034 | 13.765 | -1.583 | -1.583 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 168 | PHE | 0 | 0.056 | 0.031 | 15.188 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 169 | LEU | 0 | -0.009 | 0.005 | 10.375 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 170 | LEU | 0 | -0.001 | -0.023 | 9.515 | -1.058 | -1.058 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 171 | ASP | -1 | -0.904 | -0.937 | 10.462 | -19.105 | -19.105 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 172 | THR | 0 | -0.078 | -0.040 | 12.465 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 173 | LEU | 0 | -0.035 | -0.027 | 7.297 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 174 | LYS | 1 | 0.851 | 0.951 | 8.316 | 20.206 | 20.206 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 175 | ALA | 0 | -0.037 | -0.022 | 5.636 | -2.196 | -2.196 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 176 | LYS | 1 | 0.875 | 0.924 | 6.283 | 40.970 | 40.970 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 177 | PRO | 0 | -0.007 | 0.005 | 6.720 | -3.752 | -3.752 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 178 | ASN | 0 | -0.011 | 0.030 | 4.300 | -0.599 | -0.438 | -0.001 | -0.013 | -0.147 | 0.000 |
122 | A | 179 | GLU | -1 | -0.877 | -0.930 | 2.191 | -58.402 | -57.972 | 7.711 | -2.262 | -5.878 | 0.000 |
123 | A | 180 | VAL | 0 | 0.012 | -0.015 | 2.887 | 2.384 | 2.655 | 0.584 | 0.838 | -1.693 | -0.013 |
124 | A | 181 | VAL | 0 | 0.002 | 0.012 | 3.878 | 2.769 | 3.082 | 0.001 | -0.037 | -0.277 | 0.000 |
125 | A | 182 | PHE | 0 | 0.005 | -0.001 | 6.236 | 1.260 | 1.260 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 183 | LEU | 0 | -0.035 | -0.012 | 9.295 | 0.659 | 0.659 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 184 | ASP | -1 | -0.733 | -0.904 | 12.370 | -15.319 | -15.319 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 185 | ASP | -1 | -0.839 | -0.935 | 16.041 | -14.341 | -14.341 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 186 | PHE | 0 | 0.006 | 0.016 | 19.333 | 0.855 | 0.855 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 187 | GLY | 0 | -0.018 | 0.008 | 18.733 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 188 | SER | 0 | -0.040 | -0.045 | 19.724 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 189 | ASN | 0 | 0.016 | 0.010 | 19.094 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 190 | LEU | 0 | -0.007 | 0.011 | 13.680 | -0.779 | -0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 191 | LYS | 1 | 0.848 | 0.933 | 16.046 | 14.313 | 14.313 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 192 | PRO | 0 | 0.048 | 0.021 | 16.905 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 193 | ALA | 0 | 0.038 | 0.024 | 12.180 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 194 | ARG | 1 | 0.914 | 0.968 | 9.252 | 24.323 | 24.323 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 195 | ASP | -1 | -0.900 | -0.969 | 13.107 | -16.763 | -16.763 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 196 | MET | 0 | -0.043 | -0.010 | 12.722 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 197 | GLY | 0 | -0.015 | -0.002 | 10.221 | -0.646 | -0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 198 | MET | 0 | 0.014 | -0.004 | 7.694 | -3.491 | -3.491 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 199 | VAL | 0 | -0.079 | -0.043 | 5.281 | 3.532 | 3.532 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 200 | THR | 0 | 0.022 | 0.026 | 8.052 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 201 | ILE | 0 | -0.024 | -0.018 | 8.423 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 202 | LEU | 0 | 0.015 | 0.003 | 12.628 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 203 | VAL | 0 | -0.022 | -0.010 | 15.367 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 204 | HIS | 0 | 0.018 | 0.013 | 17.701 | 0.602 | 0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 205 | ASN | 0 | -0.016 | -0.002 | 18.671 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 206 | THR | 0 | 0.052 | 0.020 | 21.963 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 207 | ALA | 0 | 0.049 | 0.016 | 17.403 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 208 | SER | 0 | -0.014 | 0.002 | 17.028 | -0.948 | -0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 209 | ALA | 0 | 0.075 | 0.022 | 17.215 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 210 | LEU | 0 | -0.016 | 0.005 | 13.309 | -0.786 | -0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 211 | ARG | 1 | 0.951 | 0.934 | 12.962 | 15.286 | 15.286 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 212 | GLU | -1 | -0.865 | -0.907 | 12.628 | -17.676 | -17.676 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 213 | LEU | 0 | -0.016 | 0.005 | 11.003 | -1.096 | -1.096 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 214 | GLU | -1 | -0.833 | -0.936 | 8.402 | -30.320 | -30.320 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 215 | LYS | 1 | 0.842 | 0.933 | 8.502 | 15.539 | 15.539 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 216 | VAL | 0 | -0.172 | -0.084 | 9.591 | -0.943 | -0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 217 | THR | 0 | -0.052 | -0.030 | 5.468 | -1.656 | -1.656 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 218 | GLY | 0 | 0.011 | 0.023 | 5.149 | -4.256 | -4.256 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 219 | THR | 0 | -0.042 | -0.044 | 6.127 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 220 | GLN | 0 | 0.006 | 0.005 | 9.625 | 1.040 | 1.040 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 221 | PHE | 0 | 0.027 | 0.028 | 9.778 | 1.035 | 1.035 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 222 | PRO | 0 | 0.024 | 0.014 | 14.861 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 223 | GLU | -1 | -0.910 | -0.965 | 18.652 | -14.159 | -14.159 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 224 | ALA | 0 | -0.010 | 0.013 | 21.447 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 225 | PRO | 0 | -0.058 | -0.019 | 19.481 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 226 | LEU | 0 | 0.062 | 0.024 | 20.944 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 227 | PRO | 0 | -0.048 | -0.013 | 21.441 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 228 | VAL | 0 | 0.035 | -0.007 | 18.641 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 229 | PRO | 0 | -0.018 | 0.013 | 18.587 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 230 | CYS | 0 | -0.010 | 0.013 | 19.601 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 231 | ASN | 0 | 0.008 | -0.048 | 17.708 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 232 | PRO | 0 | 0.010 | 0.025 | 19.498 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 233 | ASN | 0 | -0.038 | -0.019 | 18.700 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 234 | ASP | -1 | -0.900 | -0.928 | 17.330 | -14.468 | -14.468 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 235 | VAL | 0 | -0.053 | -0.033 | 20.821 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 236 | SER | 0 | -0.001 | 0.017 | 24.421 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 237 | HIS | 0 | 0.043 | 0.017 | 25.537 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 238 | GLY | 0 | 0.026 | 0.024 | 30.234 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 239 | TYR | 0 | -0.020 | -0.042 | 32.082 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 240 | VAL | 0 | 0.008 | 0.025 | 36.997 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 241 | THR | 0 | 0.033 | 0.009 | 40.598 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 242 | VAL | 0 | 0.010 | 0.005 | 43.623 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 243 | LYS | 1 | 0.823 | 0.901 | 46.049 | 6.171 | 6.171 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 244 | PRO | 0 | 0.004 | -0.004 | 47.394 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 245 | GLY | 0 | 0.020 | 0.017 | 47.157 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 246 | ILE | 0 | -0.049 | -0.019 | 44.177 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 247 | ARG | 1 | 0.948 | 0.961 | 36.605 | 7.723 | 7.723 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 248 | LEU | 0 | -0.001 | 0.013 | 38.990 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 249 | HIS | 1 | 0.839 | 0.902 | 30.468 | 8.970 | 8.970 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 250 | PHE | 0 | -0.027 | -0.019 | 33.383 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 251 | VAL | 0 | 0.036 | 0.032 | 27.257 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 252 | GLU | -1 | -0.846 | -0.907 | 29.691 | -8.187 | -8.187 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 253 | MET | 0 | -0.001 | 0.002 | 23.703 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 254 | GLY | 0 | 0.074 | 0.044 | 29.008 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 255 | SER | 0 | -0.065 | -0.050 | 30.394 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 256 | GLY | 0 | 0.008 | 0.007 | 33.732 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 257 | PRO | 0 | 0.055 | 0.045 | 36.999 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 258 | ALA | 0 | 0.017 | -0.009 | 37.651 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 259 | LEU | 0 | -0.002 | 0.001 | 34.449 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 260 | CYS | 0 | -0.023 | 0.007 | 36.012 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 261 | LEU | 0 | 0.018 | 0.019 | 31.724 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 262 | CYS | 0 | -0.021 | -0.015 | 35.546 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 263 | HIS | 0 | -0.011 | 0.010 | 34.212 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 264 | GLY | 0 | 0.054 | 0.020 | 36.219 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 265 | PHE | 0 | -0.002 | 0.029 | 36.804 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 266 | PRO | 0 | -0.052 | -0.020 | 35.785 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 267 | GLU | -1 | -0.763 | -0.895 | 32.714 | -8.918 | -8.918 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 268 | SER | 0 | -0.004 | -0.018 | 30.226 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 269 | TRP | 0 | 0.068 | 0.033 | 24.741 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 270 | PHE | 0 | -0.001 | 0.003 | 22.198 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 271 | SER | 0 | 0.024 | -0.009 | 26.964 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 272 | TRP | 0 | -0.053 | -0.023 | 28.921 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 273 | ARG | 1 | 0.799 | 0.874 | 23.016 | 11.052 | 11.052 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 274 | TYR | 0 | 0.023 | 0.000 | 21.914 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 275 | GLN | 0 | -0.010 | -0.019 | 25.677 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 276 | ILE | 0 | 0.003 | 0.000 | 26.562 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 277 | PRO | 0 | 0.038 | 0.024 | 23.122 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 278 | ALA | 0 | 0.014 | 0.007 | 25.542 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 279 | LEU | 0 | -0.003 | -0.012 | 27.280 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 280 | ALA | 0 | -0.024 | 0.007 | 27.695 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 281 | GLN | 0 | -0.069 | -0.059 | 23.733 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 282 | ALA | 0 | -0.072 | -0.016 | 28.475 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 283 | GLY | 0 | -0.007 | -0.007 | 31.618 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 284 | PHE | 0 | 0.007 | 0.008 | 32.747 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 285 | ARG | 1 | 0.782 | 0.883 | 32.572 | 7.728 | 7.728 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 286 | VAL | 0 | 0.010 | -0.008 | 30.659 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 287 | LEU | 0 | -0.004 | -0.013 | 32.609 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 288 | ALA | 0 | -0.012 | -0.004 | 30.710 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 289 | ILE | 0 | 0.008 | -0.004 | 32.500 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 290 | ASP | -1 | -0.791 | -0.867 | 32.796 | -8.915 | -8.915 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 291 | MET | 0 | -0.002 | -0.002 | 35.388 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 292 | LYS | 1 | 0.787 | 0.863 | 38.885 | 6.281 | 6.281 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 293 | GLY | 0 | -0.004 | -0.013 | 41.061 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 294 | TYR | 0 | 0.009 | 0.001 | 35.771 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 295 | GLY | 0 | 0.017 | -0.005 | 33.346 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 296 | ASP | -1 | -0.804 | -0.864 | 31.101 | -8.974 | -8.974 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 297 | SER | 0 | -0.021 | -0.011 | 34.383 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 298 | SER | 0 | -0.045 | -0.024 | 37.908 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 299 | SER | 0 | 0.038 | 0.028 | 40.089 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 300 | PRO | 0 | -0.032 | 0.001 | 42.080 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 301 | PRO | 0 | 0.055 | 0.036 | 45.696 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 302 | GLU | -1 | -0.849 | -0.931 | 47.794 | -5.893 | -5.893 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 303 | ILE | 0 | 0.049 | 0.017 | 49.577 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 304 | GLU | -1 | -0.838 | -0.910 | 50.939 | -5.570 | -5.570 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 305 | GLU | -1 | -0.783 | -0.878 | 48.005 | -6.009 | -6.009 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 306 | TYR | 0 | -0.028 | -0.048 | 43.521 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 307 | ALA | 0 | -0.014 | 0.010 | 48.463 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 308 | MET | 0 | 0.047 | 0.018 | 46.471 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 309 | GLU | -1 | -0.873 | -0.929 | 50.119 | -5.404 | -5.404 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 310 | LEU | 0 | -0.084 | -0.048 | 49.420 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 311 | LEU | 0 | 0.024 | 0.016 | 44.747 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 312 | CYS | 0 | -0.039 | -0.004 | 46.536 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 313 | LYS | 1 | 0.926 | 0.961 | 48.421 | 5.478 | 5.478 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 314 | GLU | -1 | -0.824 | -0.917 | 46.012 | -6.292 | -6.292 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 315 | MET | 0 | 0.016 | 0.015 | 41.229 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 316 | VAL | 0 | -0.011 | 0.002 | 45.039 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 317 | THR | 0 | -0.025 | -0.007 | 47.081 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 318 | PHE | 0 | -0.028 | -0.022 | 37.602 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 319 | LEU | 0 | -0.017 | 0.000 | 42.089 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 320 | ASP | -1 | -0.787 | -0.877 | 44.387 | -6.112 | -6.112 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 321 | LYS | 1 | 0.811 | 0.903 | 44.235 | 6.303 | 6.303 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 322 | LEU | 0 | -0.016 | -0.003 | 38.481 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 323 | GLY | 0 | -0.034 | 0.001 | 42.131 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 324 | ILE | 0 | -0.043 | -0.014 | 39.295 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 325 | PRO | 0 | 0.012 | 0.008 | 43.854 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 326 | GLN | 0 | -0.058 | -0.059 | 45.111 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 327 | ALA | 0 | 0.006 | 0.020 | 40.906 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 328 | VAL | 0 | -0.021 | 0.003 | 39.647 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 329 | PHE | 0 | -0.028 | -0.016 | 40.061 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 330 | ILE | 0 | 0.035 | 0.006 | 35.484 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 331 | GLY | 0 | -0.003 | 0.008 | 38.236 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 332 | HIS | 0 | 0.002 | -0.016 | 36.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 333 | ASP | -1 | -0.745 | -0.841 | 39.140 | -7.306 | -7.306 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 334 | TRP | 0 | 0.028 | -0.011 | 40.948 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 335 | ALA | 0 | 0.030 | 0.027 | 39.731 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 336 | GLY | 0 | 0.005 | 0.017 | 41.712 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 337 | VAL | 0 | 0.011 | 0.007 | 43.046 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 338 | MET | 0 | 0.039 | 0.009 | 42.191 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 339 | VAL | 0 | 0.002 | -0.002 | 41.713 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 340 | TRP | 0 | -0.017 | -0.021 | 45.091 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 341 | ASN | 0 | -0.060 | -0.059 | 48.168 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 342 | MET | 0 | -0.018 | 0.009 | 45.973 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 343 | ALA | 0 | 0.019 | 0.013 | 48.339 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 344 | LEU | 0 | -0.068 | -0.016 | 49.945 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 345 | PHE | 0 | -0.048 | -0.039 | 52.345 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 346 | TYR | 0 | -0.024 | -0.004 | 50.358 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 347 | PRO | 0 | 0.041 | 0.019 | 50.510 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 348 | GLU | -1 | -0.872 | -0.938 | 50.852 | -5.711 | -5.711 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 349 | ARG | 1 | 0.811 | 0.886 | 47.632 | 6.013 | 6.013 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 350 | VAL | 0 | -0.028 | -0.019 | 46.085 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 351 | ARG | 1 | 0.929 | 0.993 | 43.675 | 6.694 | 6.694 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 352 | ALA | 0 | -0.024 | -0.037 | 43.360 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 353 | VAL | 0 | 0.013 | 0.006 | 43.647 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 354 | ALA | 0 | 0.026 | 0.014 | 40.312 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 355 | SER | 0 | -0.059 | -0.044 | 41.563 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 356 | LEU | 0 | 0.033 | 0.022 | 35.534 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 357 | ASN | 0 | 0.006 | 0.004 | 38.410 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 358 | THR | 0 | -0.041 | -0.050 | 41.809 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 359 | PRO | 0 | 0.048 | 0.021 | 44.348 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 360 | PHE | 0 | 0.022 | -0.009 | 47.694 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 361 | MET | 0 | -0.063 | -0.040 | 48.538 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 362 | PRO | 0 | -0.012 | -0.003 | 52.680 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 363 | PRO | 0 | -0.004 | 0.001 | 55.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 364 | ASP | -1 | -0.862 | -0.935 | 58.078 | -5.090 | -5.090 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 365 | PRO | 0 | -0.032 | -0.023 | 61.779 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 366 | ASP | -1 | -0.907 | -0.960 | 64.280 | -4.625 | -4.625 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 367 | VAL | 0 | -0.005 | -0.009 | 61.849 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 368 | SER | 0 | -0.032 | -0.002 | 61.668 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 369 | PRO | 0 | 0.073 | 0.023 | 56.991 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 370 | MET | 0 | 0.028 | 0.006 | 54.962 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 371 | LYS | 1 | 0.903 | 0.964 | 57.905 | 4.683 | 4.683 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 372 | VAL | 0 | 0.071 | 0.034 | 55.877 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 373 | ILE | 0 | -0.032 | -0.010 | 52.380 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 374 | ARG | 1 | 0.919 | 0.943 | 54.833 | 5.055 | 5.055 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 375 | SER | 0 | -0.061 | -0.005 | 57.291 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 376 | ILE | 0 | 0.019 | 0.014 | 51.799 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 377 | PRO | 0 | 0.046 | 0.020 | 53.082 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 378 | VAL | 0 | -0.021 | -0.017 | 47.160 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 379 | PHE | 0 | -0.002 | -0.001 | 48.162 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 380 | ASN | 0 | 0.042 | 0.053 | 49.939 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 381 | TYR | 0 | 0.029 | -0.002 | 44.519 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 382 | GLN | 0 | -0.005 | 0.020 | 47.767 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 383 | LEU | 0 | -0.038 | -0.033 | 48.920 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 384 | TYR | 0 | -0.057 | -0.043 | 45.367 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 385 | PHE | 0 | 0.017 | -0.023 | 42.587 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 386 | GLN | 0 | -0.029 | -0.012 | 48.362 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 387 | GLU | -1 | -0.903 | -0.942 | 51.258 | -5.442 | -5.442 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 388 | PRO | 0 | -0.079 | -0.057 | 49.707 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 389 | GLY | 0 | -0.001 | 0.010 | 47.858 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 390 | VAL | 0 | 0.019 | 0.007 | 47.369 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 391 | ALA | 0 | 0.057 | 0.028 | 44.779 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 392 | GLU | -1 | -0.781 | -0.861 | 43.031 | -6.550 | -6.550 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 393 | ALA | 0 | 0.039 | 0.021 | 42.313 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 394 | GLU | -1 | -0.790 | -0.871 | 42.132 | -6.978 | -6.978 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 395 | LEU | 0 | -0.018 | -0.010 | 39.151 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 396 | GLU | -1 | -0.837 | -0.908 | 37.915 | -7.443 | -7.443 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 397 | LYS | 1 | 0.845 | 0.953 | 37.887 | 7.245 | 7.245 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 398 | ASN | 0 | 0.014 | -0.018 | 33.771 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 399 | MET | 0 | 0.021 | 0.006 | 32.960 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 400 | SER | 0 | 0.042 | 0.034 | 28.895 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 401 | ARG | 1 | 0.875 | 0.937 | 31.263 | 7.681 | 7.681 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 402 | THR | 0 | -0.041 | -0.038 | 33.811 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 403 | PHE | 0 | 0.024 | 0.013 | 30.594 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 404 | LYS | 1 | 0.871 | 0.946 | 26.388 | 10.591 | 10.591 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 405 | SER | 0 | -0.038 | -0.031 | 31.203 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 406 | PHE | 0 | -0.015 | -0.023 | 34.750 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 407 | PHE | 0 | -0.048 | -0.012 | 30.053 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 408 | ARG | 1 | 0.854 | 0.931 | 30.821 | 8.913 | 8.913 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 409 | ALA | 0 | -0.016 | -0.003 | 30.822 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 410 | SER | 0 | -0.017 | -0.034 | 32.809 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 411 | ASP | -1 | -0.893 | -0.938 | 32.763 | -9.108 | -9.108 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 412 | GLU | -1 | -0.741 | -0.853 | 30.572 | -10.107 | -10.107 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 413 | THR | 0 | 0.020 | -0.005 | 34.849 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 414 | GLY | 0 | -0.007 | -0.013 | 36.207 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 415 | PHE | 0 | -0.020 | -0.003 | 36.596 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 416 | ILE | 0 | 0.051 | 0.042 | 37.762 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 417 | ALA | 0 | -0.031 | -0.007 | 40.813 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 418 | VAL | 0 | 0.010 | -0.009 | 43.315 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 419 | HIS | 0 | 0.002 | -0.003 | 45.978 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 420 | LYS | 1 | 1.026 | 0.998 | 46.629 | 6.584 | 6.584 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 421 | ALA | 0 | 0.001 | 0.027 | 47.377 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 422 | THR | 0 | -0.031 | -0.035 | 48.907 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 423 | GLU | -1 | -0.909 | -0.960 | 52.342 | -5.569 | -5.569 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 424 | ILE | 0 | -0.103 | -0.066 | 46.890 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 425 | GLY | 0 | -0.025 | -0.007 | 49.938 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 426 | GLY | 0 | 0.040 | 0.018 | 46.566 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 427 | ILE | 0 | -0.084 | -0.023 | 41.990 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 428 | LEU | 0 | -0.002 | -0.009 | 38.565 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 429 | VAL | 0 | 0.001 | 0.014 | 41.636 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 430 | ASN | 0 | -0.091 | -0.040 | 42.408 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 431 | THR | 0 | -0.019 | -0.012 | 37.250 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 432 | PRO | 0 | -0.003 | 0.005 | 35.913 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 433 | GLU | -1 | -0.832 | -0.942 | 36.884 | -7.691 | -7.691 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 434 | ASP | -1 | -0.972 | -0.977 | 32.781 | -8.895 | -8.895 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 435 | PRO | 0 | -0.063 | -0.014 | 31.888 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 436 | ASN | 0 | 0.060 | 0.028 | 28.600 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 437 | LEU | 0 | -0.070 | -0.045 | 23.170 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 438 | SER | 0 | -0.031 | -0.008 | 27.070 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 439 | LYS | 1 | 0.810 | 0.894 | 25.356 | 9.525 | 9.525 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 440 | ILE | 0 | -0.045 | -0.030 | 25.086 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 441 | THR | 0 | -0.036 | -0.003 | 24.342 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 442 | THR | 0 | -0.018 | -0.038 | 19.007 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 443 | GLU | -1 | -0.768 | -0.892 | 21.076 | -11.438 | -11.438 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 444 | GLU | -1 | -0.829 | -0.915 | 16.984 | -14.502 | -14.502 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 445 | GLU | -1 | -0.813 | -0.876 | 20.656 | -11.831 | -11.831 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 446 | ILE | 0 | -0.033 | -0.023 | 23.204 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 447 | GLU | -1 | -0.913 | -0.970 | 21.626 | -11.820 | -11.820 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 448 | PHE | 0 | 0.001 | 0.010 | 23.856 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 449 | TYR | 0 | 0.014 | -0.006 | 25.613 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 450 | ILE | 0 | -0.010 | -0.004 | 28.018 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 451 | GLN | 0 | -0.037 | -0.022 | 25.759 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 452 | GLN | 0 | -0.038 | -0.032 | 28.799 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 453 | PHE | 0 | 0.021 | -0.004 | 31.158 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 454 | LYS | 1 | 0.884 | 0.966 | 31.882 | 8.769 | 8.769 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 455 | LYS | 1 | 0.761 | 0.871 | 30.350 | 9.305 | 9.305 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 456 | THR | 0 | -0.023 | -0.001 | 35.517 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 457 | GLY | 0 | -0.025 | 0.019 | 37.277 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 458 | PHE | 0 | 0.027 | -0.037 | 36.076 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 459 | ARG | 1 | 0.881 | 0.954 | 40.718 | 6.222 | 6.222 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 460 | GLY | 0 | 0.022 | 0.019 | 42.618 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 461 | PRO | 0 | 0.020 | 0.003 | 38.893 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 462 | LEU | 0 | 0.055 | 0.031 | 41.691 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 463 | ASN | 0 | -0.070 | -0.035 | 44.491 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 464 | TRP | 0 | -0.012 | -0.013 | 42.422 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 465 | TYR | 0 | -0.019 | -0.013 | 43.108 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 466 | ARG | 1 | 0.751 | 0.870 | 47.447 | 6.371 | 6.371 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 467 | ASN | 0 | 0.035 | 0.011 | 50.056 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 468 | THR | 0 | 0.003 | 0.001 | 52.936 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 469 | GLU | -1 | -0.828 | -0.895 | 54.520 | -4.965 | -4.965 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 470 | ARG | 1 | 0.845 | 0.898 | 54.498 | 5.482 | 5.482 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 471 | ASN | 0 | 0.088 | 0.045 | 50.716 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 472 | TRP | 0 | 0.007 | 0.011 | 54.921 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 473 | LYS | 1 | 0.876 | 0.916 | 57.490 | 4.938 | 4.938 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 474 | TRP | 0 | -0.047 | -0.020 | 51.946 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 475 | SER | 0 | 0.072 | 0.009 | 54.923 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 476 | CYS | 0 | -0.014 | -0.002 | 56.867 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 477 | LYS | 1 | 0.850 | 0.924 | 59.618 | 5.104 | 5.104 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 478 | GLY | 0 | -0.026 | -0.012 | 58.618 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 479 | LEU | 0 | 0.007 | 0.011 | 58.884 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 480 | GLY | 0 | -0.027 | -0.007 | 60.938 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 481 | ARG | 1 | 0.817 | 0.926 | 56.724 | 5.320 | 5.320 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 482 | LYS | 1 | 0.943 | 0.968 | 57.392 | 5.086 | 5.086 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 483 | ILE | 0 | -0.025 | -0.009 | 50.786 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 484 | LEU | 0 | 0.001 | -0.018 | 53.887 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 485 | VAL | 0 | 0.003 | 0.034 | 49.280 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 486 | PRO | 0 | 0.011 | -0.006 | 46.629 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 487 | ALA | 0 | 0.003 | 0.002 | 46.385 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 488 | LEU | 0 | 0.005 | 0.017 | 40.632 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 489 | MET | 0 | -0.020 | -0.008 | 44.057 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 490 | VAL | 0 | 0.032 | 0.036 | 38.234 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 491 | THR | 0 | -0.031 | -0.019 | 41.605 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 492 | ALA | 0 | 0.000 | 0.019 | 38.598 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 493 | GLU | -1 | -0.851 | -0.946 | 40.135 | -7.373 | -7.373 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 494 | LYS | 1 | 0.801 | 0.915 | 37.294 | 8.330 | 8.330 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 495 | ASP | -1 | -0.765 | -0.852 | 40.384 | -7.565 | -7.565 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 496 | ILE | 0 | 0.016 | 0.005 | 40.554 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 497 | VAL | 0 | 0.000 | 0.006 | 42.829 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 498 | LEU | 0 | -0.011 | -0.022 | 42.508 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 499 | ARG | 1 | 0.896 | 0.945 | 44.135 | 6.286 | 6.286 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 500 | PRO | 0 | 0.074 | 0.036 | 43.990 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 501 | GLU | -1 | -0.858 | -0.927 | 46.515 | -6.029 | -6.029 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 502 | MET | 0 | -0.026 | 0.006 | 48.836 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 503 | SER | 0 | -0.036 | -0.030 | 48.198 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 504 | LYS | 1 | 0.907 | 0.954 | 50.335 | 5.581 | 5.581 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 505 | ASN | 0 | 0.012 | 0.007 | 53.029 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 506 | MET | 0 | 0.017 | 0.059 | 47.945 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 507 | GLU | -1 | -0.705 | -0.824 | 52.045 | -5.936 | -5.936 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 508 | LYS | 1 | 0.825 | 0.937 | 54.808 | 5.276 | 5.276 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 509 | TRP | 0 | -0.036 | -0.034 | 54.874 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 510 | ILE | 0 | -0.004 | -0.006 | 50.594 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 511 | PRO | 0 | 0.053 | 0.051 | 53.400 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 512 | PHE | 0 | -0.013 | -0.036 | 52.836 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 513 | LEU | 0 | -0.059 | -0.004 | 47.734 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 514 | LYS | 1 | 0.823 | 0.906 | 45.871 | 6.362 | 6.362 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 515 | ARG | 1 | 0.796 | 0.827 | 45.207 | 6.270 | 6.270 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 516 | GLY | 0 | 0.010 | 0.010 | 41.460 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 517 | HIS | 0 | -0.096 | -0.067 | 41.091 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 518 | ILE | 0 | 0.023 | 0.019 | 34.911 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 519 | GLU | -1 | -0.807 | -0.916 | 37.933 | -7.537 | -7.537 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 520 | ASP | -1 | -0.877 | -0.946 | 35.506 | -8.525 | -8.525 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 521 | CYS | 0 | -0.063 | -0.008 | 35.320 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 522 | GLY | 0 | 0.023 | 0.015 | 35.517 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 523 | HIS | 1 | 0.804 | 0.853 | 37.194 | 7.593 | 7.593 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 524 | TRP | 0 | -0.031 | -0.007 | 32.228 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 525 | THR | 0 | 0.062 | 0.002 | 32.505 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 526 | GLN | 0 | -0.036 | -0.021 | 30.584 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 527 | ILE | 0 | -0.004 | -0.012 | 26.854 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 528 | GLU | -1 | -0.814 | -0.886 | 27.839 | -9.173 | -9.173 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 529 | LYS | 1 | 0.817 | 0.919 | 29.727 | 8.935 | 8.935 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 530 | PRO | 0 | 0.076 | 0.046 | 26.162 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 531 | THR | 0 | 0.023 | 0.008 | 26.795 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 532 | GLU | -1 | -0.843 | -0.926 | 28.673 | -9.681 | -9.681 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 533 | VAL | 0 | 0.028 | -0.002 | 31.881 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 534 | ASN | 0 | -0.021 | -0.025 | 27.463 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 535 | GLN | 0 | 0.002 | -0.001 | 30.459 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 536 | ILE | 0 | -0.056 | -0.013 | 33.269 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 537 | LEU | 0 | 0.027 | 0.007 | 33.805 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 538 | ILE | 0 | 0.031 | 0.026 | 30.798 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 539 | LYS | 1 | 0.882 | 0.926 | 34.891 | 8.602 | 8.602 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 540 | TRP | 0 | 0.013 | 0.032 | 38.294 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 541 | LEU | 0 | -0.018 | -0.003 | 35.943 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 542 | GLN | 0 | -0.069 | -0.028 | 35.167 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 543 | THR | 0 | -0.084 | -0.064 | 39.920 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 544 | GLU | -1 | -0.849 | -0.900 | 43.113 | -6.223 | -6.223 | 0.000 | 0.000 | 0.000 | 0.000 |