FMODB ID: 3JYZL
Calculation Name: 4B7O-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4B7O
Chain ID: A
UniProt ID: Q841A2
Base Structure: X-ray
Registration Date: 2023-09-24
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 | 656 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15607956.383397 |
---|---|
FMO2-HF: Nuclear repulsion | 15355866.680261 |
FMO2-HF: Total energy | -252089.703135 |
FMO2-MP2: Total energy | -252841.962202 |
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:61:ASP)
Summations of interaction energy for
fragment #1(A:61:ASP)
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. |
-234.581 | -222.679 | 14.466 | -12.488 | -13.88 | 0.131 |
Interaction energy analysis for fragmet #1(A:61:ASP)
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 | 63 | GLN | 0 | 0.036 | -0.003 | 3.625 | -12.767 | -8.521 | -0.053 | -2.270 | -1.923 | 0.002 |
4 | A | 64 | GLY | 0 | 0.024 | 0.025 | 5.139 | -2.874 | -2.874 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 65 | SER | 0 | 0.006 | -0.016 | 4.248 | 7.183 | 7.222 | -0.001 | -0.020 | -0.018 | 0.000 |
6 | A | 66 | LYS | 1 | 0.787 | 0.910 | 6.452 | -27.280 | -27.280 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 67 | ILE | 0 | -0.032 | -0.029 | 2.552 | -9.480 | -7.537 | 0.851 | -1.154 | -1.641 | 0.018 |
8 | A | 68 | ARG | 1 | 0.904 | 0.972 | 2.615 | -36.865 | -33.067 | 2.586 | -3.112 | -3.272 | 0.024 |
9 | A | 69 | THR | 0 | -0.011 | -0.020 | 2.066 | -43.177 | -42.147 | 11.058 | -5.578 | -6.510 | 0.085 |
10 | A | 70 | ASN | 0 | -0.021 | -0.027 | 3.790 | 0.039 | 0.624 | 0.016 | -0.271 | -0.329 | 0.002 |
11 | A | 71 | ILE | 0 | -0.018 | 0.006 | 5.858 | -1.570 | -1.570 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 72 | VAL | 0 | -0.013 | -0.003 | 7.107 | -3.497 | -3.497 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 73 | THR | 0 | 0.046 | 0.023 | 10.297 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 74 | LEU | 0 | 0.026 | 0.003 | 11.838 | -1.344 | -1.344 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 75 | GLN | 0 | 0.020 | -0.003 | 14.354 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 76 | GLN | 0 | 0.047 | 0.023 | 10.230 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 77 | LYS | 1 | 0.850 | 0.930 | 15.090 | -18.873 | -18.873 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 78 | ASP | -1 | -0.921 | -0.924 | 16.918 | 14.651 | 14.651 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 79 | GLU | -1 | -0.821 | -0.895 | 18.241 | 15.963 | 15.963 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 80 | SER | 0 | -0.002 | -0.002 | 18.056 | -0.547 | -0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 81 | THR | 0 | 0.036 | 0.006 | 20.084 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 82 | ALA | 0 | -0.051 | -0.018 | 19.338 | -0.487 | -0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 83 | THR | 0 | -0.009 | -0.009 | 21.447 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 84 | ASP | -1 | -0.837 | -0.931 | 21.306 | 14.188 | 14.188 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 85 | MET | 0 | 0.018 | -0.011 | 16.088 | 1.042 | 1.042 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 86 | ARG | 1 | 0.866 | 0.939 | 17.100 | -12.410 | -12.410 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 87 | GLU | -1 | -0.861 | -0.929 | 18.596 | 14.697 | 14.697 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 88 | LEU | 0 | -0.022 | -0.006 | 14.540 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 89 | LEU | 0 | -0.025 | -0.014 | 11.592 | 1.521 | 1.521 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 90 | LYS | 1 | 0.821 | 0.901 | 14.147 | -14.421 | -14.421 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 91 | GLU | -1 | -0.794 | -0.876 | 12.924 | 20.262 | 20.262 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 92 | GLU | -1 | -0.822 | -0.882 | 9.234 | 32.541 | 32.541 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 93 | PRO | 0 | -0.004 | 0.011 | 11.827 | -1.394 | -1.394 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 94 | SER | 0 | -0.046 | -0.032 | 11.961 | -1.009 | -1.009 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 95 | ILE | 0 | -0.010 | -0.009 | 11.132 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 96 | ASP | -1 | -0.855 | -0.914 | 15.268 | 14.451 | 14.451 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 97 | PHE | 0 | 0.039 | 0.015 | 16.516 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 98 | GLY | 0 | -0.017 | 0.002 | 21.270 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 99 | GLY | 0 | 0.016 | -0.005 | 24.964 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 100 | GLY | 0 | 0.032 | 0.023 | 27.507 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 101 | ASN | 0 | 0.042 | 0.022 | 27.401 | 1.013 | 1.013 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 102 | GLY | 0 | 0.080 | 0.023 | 26.963 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 103 | THR | 0 | -0.065 | -0.056 | 26.443 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 104 | SER | 0 | -0.032 | -0.021 | 27.964 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 105 | GLN | 0 | -0.120 | -0.029 | 22.953 | 0.507 | 0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 106 | PHE | 0 | 0.042 | 0.012 | 24.286 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 107 | LEU | 0 | 0.022 | 0.011 | 16.525 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 108 | THR | 0 | -0.065 | -0.049 | 19.445 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 109 | LEU | 0 | 0.032 | 0.026 | 12.209 | 0.812 | 0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 110 | ARG | 1 | 0.771 | 0.881 | 10.663 | -25.691 | -25.691 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 111 | GLY | 0 | 0.000 | 0.006 | 16.800 | -0.778 | -0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 112 | MET | 0 | -0.029 | -0.012 | 18.714 | -1.146 | -1.146 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 113 | GLY | 0 | 0.079 | 0.034 | 19.519 | 0.779 | 0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 114 | GLN | 0 | 0.034 | -0.003 | 20.451 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 115 | ASN | 0 | -0.025 | 0.001 | 21.765 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 116 | SER | 0 | 0.000 | -0.024 | 19.816 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 117 | VAL | 0 | -0.088 | -0.012 | 15.640 | 0.736 | 0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 118 | ASP | -1 | -0.821 | -0.879 | 16.787 | 16.088 | 16.088 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 119 | ILE | 0 | 0.018 | -0.001 | 16.080 | 1.231 | 1.231 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 120 | LYS | 1 | 0.876 | 0.946 | 13.987 | -22.199 | -22.199 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 121 | VAL | 0 | 0.019 | 0.008 | 15.285 | 1.353 | 1.353 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 122 | ASP | -1 | -0.788 | -0.878 | 16.489 | 17.023 | 17.023 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 123 | ASN | 0 | -0.041 | -0.013 | 16.061 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 124 | ALA | 0 | 0.039 | 0.033 | 17.177 | -0.798 | -0.798 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 125 | TYR | 0 | 0.007 | -0.020 | 17.631 | 0.669 | 0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 126 | SER | 0 | -0.040 | -0.014 | 20.947 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 127 | ASP | -1 | -0.769 | -0.887 | 22.905 | 13.124 | 13.124 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 128 | SER | 0 | -0.020 | -0.016 | 24.377 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 129 | GLN | 0 | -0.059 | -0.037 | 26.956 | 0.671 | 0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 130 | ILE | 0 | 0.013 | 0.000 | 29.009 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 131 | LEU | 0 | 0.009 | -0.010 | 31.503 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 132 | TYR | 0 | 0.028 | 0.020 | 31.103 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 133 | HIS | 0 | -0.111 | -0.066 | 31.492 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 134 | GLN | 0 | -0.034 | -0.010 | 30.136 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 135 | GLY | 0 | 0.052 | 0.040 | 26.054 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 136 | ARG | 1 | 0.752 | 0.872 | 23.519 | -13.036 | -13.036 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 137 | PHE | 0 | -0.040 | -0.028 | 23.902 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 138 | ILE | 0 | 0.001 | -0.001 | 19.275 | 0.716 | 0.716 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 139 | VAL | 0 | -0.048 | -0.010 | 18.033 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 140 | ASP | -1 | -0.756 | -0.880 | 20.303 | 14.366 | 14.366 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 141 | PRO | 0 | -0.015 | -0.011 | 17.747 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 142 | ALA | 0 | -0.022 | -0.006 | 19.028 | 0.581 | 0.581 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 143 | LEU | 0 | 0.032 | 0.015 | 21.086 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 144 | VAL | 0 | -0.081 | -0.027 | 15.394 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 145 | LYS | 1 | 0.934 | 0.957 | 14.186 | -21.904 | -21.904 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 146 | VAL | 0 | -0.051 | -0.023 | 9.502 | 0.932 | 0.932 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 147 | VAL | 0 | -0.003 | 0.003 | 10.549 | -1.758 | -1.758 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 148 | SER | 0 | 0.006 | 0.002 | 6.419 | 5.456 | 5.456 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 149 | VAL | 0 | -0.042 | -0.024 | 6.611 | -6.163 | -6.163 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 150 | GLN | 0 | 0.033 | 0.020 | 6.548 | 9.415 | 9.415 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 151 | LYS | 1 | 0.859 | 0.989 | 8.568 | -38.121 | -38.121 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 152 | GLY | 0 | -0.030 | -0.015 | 11.158 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 153 | ALA | 0 | 0.015 | 0.008 | 13.805 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 154 | GLY | 0 | 0.006 | 0.004 | 12.320 | 1.431 | 1.431 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 155 | SER | 0 | -0.038 | -0.023 | 12.448 | -0.810 | -0.810 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 156 | ALA | 0 | 0.021 | 0.001 | 14.060 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 157 | SER | 0 | 0.000 | 0.003 | 13.511 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 158 | ALA | 0 | -0.029 | 0.008 | 13.081 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 159 | GLY | 0 | 0.019 | 0.007 | 14.214 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 160 | ILE | 0 | -0.035 | -0.019 | 17.540 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 161 | GLY | 0 | 0.035 | 0.000 | 19.188 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 162 | ALA | 0 | 0.010 | 0.041 | 15.003 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 163 | THR | 0 | 0.050 | 0.009 | 16.506 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 164 | ASN | 0 | -0.068 | -0.050 | 16.080 | -0.830 | -0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 165 | GLY | 0 | 0.063 | 0.002 | 12.842 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 166 | ALA | 0 | -0.027 | -0.031 | 12.011 | -2.055 | -2.055 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 167 | ILE | 0 | 0.015 | 0.023 | 11.418 | 2.531 | 2.531 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 168 | ILE | 0 | -0.027 | -0.002 | 9.903 | -2.188 | -2.188 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 169 | ALA | 0 | 0.030 | 0.003 | 11.452 | 1.871 | 1.871 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 170 | LYS | 1 | 0.958 | 0.980 | 11.070 | -27.584 | -27.584 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 171 | THR | 0 | -0.011 | -0.017 | 15.157 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 172 | VAL | 0 | -0.022 | -0.012 | 18.040 | 0.662 | 0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 173 | ASP | -1 | -0.865 | -0.925 | 19.339 | 16.141 | 16.141 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 174 | ALA | 0 | 0.024 | -0.007 | 21.136 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 175 | GLN | 0 | 0.007 | -0.002 | 19.179 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 176 | ASP | -1 | -0.832 | -0.942 | 17.060 | 19.367 | 19.367 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 177 | LEU | 0 | -0.030 | -0.017 | 19.418 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 178 | LEU | 0 | -0.021 | -0.002 | 22.537 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 179 | LYS | 1 | 0.930 | 0.984 | 15.422 | -19.492 | -19.492 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 180 | GLY | 0 | -0.035 | -0.018 | 21.744 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 181 | LEU | 0 | -0.076 | -0.031 | 23.920 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 182 | ASP | -1 | -0.868 | -0.924 | 26.868 | 10.952 | 10.952 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 183 | LYS | 1 | 0.789 | 0.886 | 29.259 | -10.364 | -10.364 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 184 | ASN | 0 | 0.011 | 0.003 | 28.668 | 0.706 | 0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 185 | TRP | 0 | 0.068 | 0.019 | 29.690 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 186 | GLY | 0 | -0.002 | -0.021 | 29.469 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 187 | VAL | 0 | 0.015 | 0.012 | 30.288 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 188 | ARG | 1 | 0.871 | 0.929 | 22.360 | -13.460 | -13.460 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 189 | LEU | 0 | 0.014 | 0.019 | 28.458 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 190 | ASN | 0 | -0.038 | -0.033 | 26.806 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 191 | SER | 0 | 0.013 | 0.003 | 28.788 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 192 | GLY | 0 | 0.001 | 0.006 | 28.664 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 193 | PHE | 0 | -0.017 | 0.000 | 29.549 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 194 | ALA | 0 | 0.025 | 0.002 | 29.484 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 195 | SER | 0 | 0.023 | 0.006 | 31.328 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 196 | ASN | 0 | -0.056 | -0.003 | 31.861 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 197 | GLU | -1 | -0.867 | -0.960 | 31.347 | 8.810 | 8.810 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 198 | GLY | 0 | -0.041 | -0.012 | 32.080 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 199 | VAL | 0 | -0.008 | 0.022 | 32.468 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 200 | SER | 0 | -0.051 | -0.019 | 28.505 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 201 | TYR | 0 | 0.014 | 0.001 | 30.257 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 202 | GLY | 0 | 0.042 | 0.033 | 28.556 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 203 | ALA | 0 | -0.032 | -0.005 | 29.621 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 204 | SER | 0 | -0.012 | 0.001 | 25.901 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 205 | VAL | 0 | 0.046 | 0.033 | 28.755 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 206 | PHE | 0 | 0.001 | -0.003 | 26.591 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 207 | GLY | 0 | 0.049 | 0.007 | 28.307 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 208 | LYS | 1 | 0.885 | 0.956 | 25.501 | -11.906 | -11.906 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 209 | GLU | -1 | -0.888 | -0.943 | 28.507 | 8.997 | 8.997 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 210 | GLY | 0 | 0.074 | 0.056 | 31.489 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 211 | ASN | 0 | 0.007 | -0.016 | 28.394 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 212 | PHE | 0 | -0.032 | -0.033 | 28.262 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 213 | ASP | -1 | -0.918 | -0.945 | 24.697 | 13.362 | 13.362 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 214 | GLY | 0 | 0.035 | 0.017 | 27.626 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 215 | LEU | 0 | -0.056 | -0.034 | 23.422 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 216 | PHE | 0 | -0.010 | -0.001 | 27.579 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 217 | SER | 0 | -0.005 | -0.029 | 26.001 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 218 | TYR | 0 | 0.018 | 0.030 | 27.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 219 | ASN | 0 | 0.033 | -0.001 | 26.459 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 220 | ARG | 1 | 0.842 | 0.899 | 28.595 | -9.271 | -9.271 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 221 | ASN | 0 | -0.034 | -0.032 | 27.080 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 222 | ASP | -1 | -0.910 | -0.946 | 30.052 | 9.017 | 9.017 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 223 | GLU | -1 | -0.823 | -0.908 | 28.170 | 11.447 | 11.447 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 224 | LYS | 1 | 0.937 | 0.962 | 32.888 | -8.818 | -8.818 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 225 | GLU | -1 | -0.906 | -0.937 | 34.117 | 8.506 | 8.506 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 226 | TYR | 0 | 0.027 | 0.029 | 31.309 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 227 | GLU | -1 | -0.870 | -0.976 | 33.963 | 8.190 | 8.190 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 228 | ALA | 0 | -0.012 | 0.018 | 32.947 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 229 | GLY | 0 | 0.048 | 0.013 | 33.316 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 230 | LYS | 1 | 0.882 | 0.922 | 34.321 | -8.197 | -8.197 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 231 | GLY | 0 | -0.020 | -0.010 | 37.413 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 232 | PHE | 0 | -0.026 | 0.004 | 36.502 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 233 | ARG | 1 | 0.832 | 0.905 | 38.625 | -7.453 | -7.453 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 234 | ASN | 0 | -0.041 | 0.021 | 41.204 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 235 | PHE | 0 | 0.035 | 0.015 | 42.067 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 236 | ASN | 0 | 0.016 | 0.007 | 44.624 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 237 | GLY | 0 | 0.037 | 0.023 | 45.362 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 238 | GLY | 0 | 0.060 | -0.005 | 43.346 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 239 | LYS | 1 | 0.942 | 0.968 | 38.809 | -7.845 | -7.845 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 240 | THR | 0 | 0.071 | 0.022 | 37.380 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 241 | VAL | 0 | -0.013 | 0.011 | 33.768 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 242 | PRO | 0 | -0.004 | -0.006 | 36.703 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 243 | TYR | 0 | -0.016 | -0.026 | 37.477 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 244 | SER | 0 | -0.049 | -0.036 | 32.912 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 245 | ALA | 0 | 0.018 | 0.021 | 32.865 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 246 | LEU | 0 | -0.072 | -0.047 | 29.952 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 247 | ASP | -1 | -0.728 | -0.822 | 32.483 | 9.528 | 9.528 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 248 | LYS | 1 | 0.817 | 0.892 | 26.181 | -11.966 | -11.966 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 249 | ARG | 1 | 0.834 | 0.896 | 30.281 | -9.275 | -9.275 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 250 | SER | 0 | 0.006 | 0.001 | 25.507 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 251 | TYR | 0 | -0.005 | -0.008 | 27.978 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 252 | LEU | 0 | -0.012 | -0.009 | 22.540 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 253 | ALA | 0 | 0.018 | 0.010 | 26.710 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 254 | LYS | 1 | 0.827 | 0.913 | 20.353 | -15.704 | -15.704 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 255 | ILE | 0 | 0.014 | 0.007 | 26.728 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 256 | GLY | 0 | 0.015 | -0.001 | 25.678 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 257 | THR | 0 | -0.009 | 0.012 | 26.652 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 258 | THR | 0 | -0.001 | -0.006 | 24.083 | 0.728 | 0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 259 | PHE | 0 | -0.001 | -0.014 | 26.466 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 260 | GLY | 0 | 0.026 | 0.006 | 27.308 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 261 | ASP | -1 | -0.907 | -0.967 | 27.937 | 10.656 | 10.656 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 262 | GLY | 0 | -0.013 | 0.012 | 24.934 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 263 | ASP | -1 | -0.878 | -0.961 | 23.159 | 13.500 | 13.500 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 264 | HIS | 0 | 0.025 | 0.038 | 23.636 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 265 | ARG | 1 | 0.842 | 0.920 | 20.555 | -14.826 | -14.826 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 266 | ILE | 0 | -0.010 | 0.007 | 23.954 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 267 | VAL | 0 | 0.016 | 0.008 | 21.665 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 268 | LEU | 0 | -0.005 | 0.001 | 24.778 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 269 | SER | 0 | -0.065 | -0.037 | 24.099 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 270 | HIS | 0 | -0.001 | -0.013 | 26.234 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 271 | MET | 0 | 0.030 | 0.031 | 21.711 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 272 | GLU | -1 | -0.898 | -0.922 | 26.680 | 10.084 | 10.084 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 273 | ASP | -1 | -0.820 | -0.935 | 24.188 | 13.426 | 13.426 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 274 | GLN | 0 | 0.024 | -0.009 | 27.440 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 275 | HIS | 0 | -0.026 | -0.008 | 26.243 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 276 | ARG | 1 | 0.932 | 0.969 | 31.411 | -9.190 | -9.190 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 277 | GLY | 0 | 0.050 | 0.027 | 35.075 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 278 | ILE | 0 | -0.021 | 0.008 | 37.232 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 279 | ARG | 1 | 0.871 | 0.932 | 30.899 | -9.911 | -9.911 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 280 | THR | 0 | 0.056 | 0.025 | 37.038 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 281 | VAL | 0 | -0.051 | -0.010 | 37.672 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 282 | ARG | 1 | 0.928 | 0.961 | 36.179 | -7.948 | -7.948 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 283 | GLU | -1 | -0.713 | -0.810 | 31.706 | 10.223 | 10.223 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 284 | GLU | -1 | -0.759 | -0.856 | 31.410 | 10.164 | 10.164 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 285 | PHE | 0 | -0.063 | -0.044 | 32.505 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 286 | THR | 0 | 0.034 | 0.027 | 35.772 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 287 | VAL | 0 | -0.025 | 0.000 | 37.933 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 302 | PRO | 0 | 0.042 | 0.017 | 41.621 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 303 | TYR | 0 | -0.098 | -0.104 | 38.945 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 304 | ARG | 1 | 0.815 | 0.892 | 35.328 | -9.019 | -9.019 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 305 | GLU | -1 | -0.839 | -0.887 | 35.342 | 8.778 | 8.778 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 306 | THR | 0 | -0.017 | -0.018 | 30.333 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 307 | THR | 0 | 0.000 | 0.018 | 30.435 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 308 | GLN | 0 | -0.026 | -0.002 | 22.375 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 309 | SER | 0 | -0.001 | -0.022 | 27.661 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 310 | ASN | 0 | -0.018 | -0.027 | 21.992 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 311 | THR | 0 | 0.031 | 0.035 | 26.238 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 312 | ASN | 0 | 0.000 | -0.013 | 21.443 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 313 | LEU | 0 | 0.017 | 0.014 | 25.036 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 314 | ALA | 0 | -0.016 | -0.020 | 20.579 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 315 | TYR | 0 | -0.023 | -0.049 | 22.485 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 316 | THR | 0 | -0.078 | -0.055 | 18.090 | 1.094 | 1.094 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 317 | GLY | 0 | 0.042 | 0.034 | 21.162 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 318 | LYS | 1 | 0.881 | 0.961 | 18.837 | -14.720 | -14.720 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 319 | ASP | -1 | -0.895 | -0.924 | 22.037 | 13.019 | 13.019 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 320 | LEU | 0 | -0.017 | -0.008 | 24.456 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 321 | GLY | 0 | 0.000 | -0.007 | 26.817 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 322 | PHE | 0 | -0.026 | -0.020 | 26.656 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 323 | VAL | 0 | -0.059 | -0.019 | 22.873 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 324 | GLU | -1 | -0.847 | -0.934 | 18.228 | 16.226 | 16.226 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 325 | LYS | 1 | 0.950 | 0.961 | 14.858 | -19.666 | -19.666 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 326 | LEU | 0 | -0.021 | 0.005 | 19.870 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 327 | ASP | -1 | -0.921 | -0.957 | 16.646 | 19.139 | 19.139 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 328 | ALA | 0 | 0.060 | 0.019 | 19.688 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 329 | ASN | 0 | -0.022 | -0.001 | 20.393 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 330 | ALA | 0 | -0.003 | 0.004 | 22.495 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 331 | TYR | 0 | 0.014 | 0.014 | 22.457 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 332 | VAL | 0 | -0.030 | -0.016 | 25.952 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 333 | LEU | 0 | 0.004 | -0.007 | 23.021 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 334 | GLU | -1 | -0.904 | -0.925 | 27.196 | 9.529 | 9.529 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 335 | LYS | 1 | 0.957 | 0.996 | 25.809 | -11.846 | -11.846 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 336 | LYS | 1 | 0.954 | 0.962 | 30.027 | -9.840 | -9.840 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 337 | ARG | 1 | 0.831 | 0.917 | 33.199 | -8.395 | -8.395 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 338 | TYR | 0 | 0.039 | 0.021 | 35.382 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 339 | SER | 0 | -0.034 | -0.021 | 38.637 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 340 | ALA | 0 | 0.046 | 0.022 | 41.032 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 341 | ASP | -1 | -0.778 | -0.906 | 44.082 | 6.595 | 6.595 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 342 | ASP | -1 | -0.734 | -0.855 | 42.195 | 8.083 | 8.083 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 343 | LYS | 1 | 0.953 | 1.010 | 44.943 | -6.516 | -6.516 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 344 | ASP | -1 | -0.878 | -0.927 | 46.683 | 6.659 | 6.659 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 345 | ASN | 0 | -0.098 | -0.055 | 39.768 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 346 | GLY | 0 | 0.055 | 0.014 | 44.071 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 347 | TYR | 0 | -0.080 | -0.031 | 39.311 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 348 | ALA | 0 | 0.001 | -0.024 | 40.900 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 349 | GLY | 0 | 0.026 | 0.013 | 41.955 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 350 | ASN | 0 | -0.059 | -0.040 | 45.312 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 351 | VAL | 0 | 0.020 | 0.017 | 45.195 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 352 | VAL | 0 | 0.000 | -0.004 | 47.347 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 353 | GLY | 0 | 0.001 | 0.005 | 48.602 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 354 | PRO | 0 | 0.015 | -0.009 | 44.980 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 355 | ASN | 0 | -0.064 | -0.026 | 42.202 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 356 | HIS | 0 | -0.028 | -0.003 | 39.766 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 357 | THR | 0 | -0.024 | -0.031 | 36.431 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 358 | ARG | 1 | 0.955 | 0.980 | 34.622 | -8.513 | -8.513 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 359 | ILE | 0 | -0.011 | -0.001 | 29.874 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 360 | THR | 0 | -0.054 | -0.040 | 31.130 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 361 | THR | 0 | -0.027 | -0.028 | 25.308 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 362 | ARG | 1 | 0.970 | 0.980 | 28.059 | -9.796 | -9.796 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 363 | GLY | 0 | 0.016 | 0.014 | 24.962 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 364 | MET | 0 | -0.037 | -0.012 | 24.500 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 365 | ASN | 0 | -0.099 | -0.057 | 20.106 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 366 | PHE | 0 | 0.037 | 0.026 | 22.180 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 367 | ASN | 0 | -0.059 | -0.010 | 17.789 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 368 | PHE | 0 | 0.029 | 0.006 | 19.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 369 | ASP | -1 | -0.798 | -0.889 | 16.448 | 19.587 | 19.587 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 370 | SER | 0 | 0.031 | 0.013 | 19.537 | -0.785 | -0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 371 | ARG | 1 | 0.945 | 0.990 | 16.152 | -16.125 | -16.125 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 372 | LEU | 0 | -0.035 | -0.016 | 21.348 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 373 | ALA | 0 | 0.018 | -0.001 | 21.852 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 374 | GLU | -1 | -0.968 | -0.983 | 20.297 | 14.404 | 14.404 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 375 | GLN | 0 | -0.002 | 0.000 | 15.312 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 376 | THR | 0 | -0.038 | -0.011 | 17.436 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 377 | LEU | 0 | -0.026 | -0.006 | 14.537 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 378 | LEU | 0 | 0.016 | 0.017 | 17.688 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 379 | LYS | 1 | 0.870 | 0.925 | 13.006 | -21.733 | -21.733 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 380 | TYR | 0 | -0.037 | -0.041 | 18.510 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 381 | GLY | 0 | 0.063 | 0.034 | 21.158 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 382 | ILE | 0 | -0.046 | -0.021 | 22.250 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 383 | ASN | 0 | 0.012 | 0.008 | 19.527 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 384 | TYR | 0 | 0.032 | 0.019 | 23.290 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 385 | ARG | 1 | 0.900 | 0.947 | 22.060 | -13.391 | -13.391 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 386 | HIS | 0 | -0.024 | -0.016 | 26.476 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 387 | GLN | 0 | 0.022 | 0.020 | 26.699 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 388 | GLU | -1 | -0.849 | -0.931 | 30.500 | 8.437 | 8.437 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 389 | ILE | 0 | -0.013 | 0.010 | 32.670 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 390 | LYS | 1 | 0.881 | 0.942 | 35.049 | -9.270 | -9.270 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 391 | PRO | 0 | 0.009 | 0.000 | 38.284 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 392 | GLN | 0 | -0.002 | 0.005 | 40.209 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 393 | ALA | 0 | 0.032 | 0.010 | 43.208 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 394 | PHE | 0 | -0.064 | -0.041 | 41.833 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 395 | LEU | 0 | 0.029 | 0.007 | 45.640 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 396 | ASN | 0 | -0.004 | 0.012 | 47.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 397 | GLY | 0 | 0.026 | 0.012 | 48.791 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 398 | GLU | -1 | -0.916 | -0.960 | 50.447 | 6.353 | 6.353 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 399 | PHE | 0 | -0.099 | -0.042 | 48.388 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 400 | GLU | -1 | -0.959 | -0.973 | 50.884 | 5.857 | 5.857 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 401 | ILE | 0 | -0.051 | -0.009 | 51.172 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 402 | SER | 0 | -0.001 | 0.008 | 52.586 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 418 | THR | 0 | -0.056 | -0.040 | 58.238 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 419 | ASP | -1 | -0.897 | -0.968 | 57.928 | 5.650 | 5.650 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 420 | GLU | -1 | -0.946 | -0.970 | 60.793 | 5.262 | 5.262 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 421 | GLU | -1 | -0.859 | -0.908 | 60.210 | 5.368 | 5.368 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 422 | LYS | 1 | 1.049 | 1.022 | 59.123 | -5.274 | -5.274 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 423 | ALA | 0 | -0.127 | -0.070 | 59.944 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 424 | LYS | 1 | 0.891 | 0.922 | 54.250 | -5.924 | -5.924 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 425 | ASP | -1 | -0.801 | -0.917 | 54.860 | 6.053 | 6.053 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 426 | LYS | 1 | 0.913 | 0.976 | 55.949 | -5.257 | -5.257 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 427 | LYS | 1 | 0.927 | 0.961 | 56.703 | -5.626 | -5.626 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 428 | ASP | -1 | -0.775 | -0.893 | 52.367 | 6.270 | 6.270 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 429 | MET | 0 | -0.010 | 0.007 | 53.376 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 430 | ASP | -1 | -0.901 | -0.938 | 54.352 | 5.575 | 5.575 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 431 | LEU | 0 | -0.013 | 0.001 | 51.176 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 432 | VAL | 0 | -0.067 | -0.040 | 48.438 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 433 | HIS | 0 | -0.031 | -0.038 | 50.820 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 434 | SER | 0 | -0.039 | -0.025 | 53.337 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 435 | TYR | 0 | -0.048 | -0.028 | 47.816 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 436 | LYS | 1 | 0.926 | 0.956 | 49.495 | -6.093 | -6.093 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 437 | LEU | 0 | -0.029 | -0.005 | 44.186 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 438 | SER | 0 | 0.038 | 0.032 | 43.283 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 439 | ASN | 0 | 0.010 | -0.022 | 38.602 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 440 | PRO | 0 | -0.039 | 0.004 | 35.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 441 | THR | 0 | 0.002 | -0.009 | 34.219 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 442 | LYS | 1 | 0.822 | 0.907 | 26.694 | -11.900 | -11.900 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 443 | THR | 0 | -0.084 | -0.025 | 30.249 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 444 | ASP | -1 | -0.786 | -0.884 | 25.526 | 12.086 | 12.086 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 445 | THR | 0 | -0.010 | -0.019 | 26.840 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 446 | GLY | 0 | 0.014 | 0.012 | 23.587 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 447 | ALA | 0 | 0.018 | 0.034 | 23.979 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 448 | TYR | 0 | -0.048 | -0.039 | 18.105 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 449 | ILE | 0 | 0.029 | 0.010 | 20.917 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 450 | GLU | -1 | -0.803 | -0.939 | 13.840 | 22.094 | 22.094 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 451 | ALA | 0 | 0.005 | 0.019 | 17.858 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 452 | ILE | 0 | -0.026 | -0.022 | 12.266 | 0.868 | 0.868 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 453 | HIS | 0 | 0.034 | 0.017 | 15.309 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 454 | GLU | -1 | -0.883 | -0.951 | 12.695 | 19.882 | 19.882 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 455 | LEU | 0 | 0.029 | 0.022 | 15.635 | -0.803 | -0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 456 | ASP | -1 | -0.858 | -0.917 | 17.027 | 14.442 | 14.442 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 457 | GLY | 0 | 0.021 | 0.019 | 13.093 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 458 | PHE | 0 | -0.041 | -0.013 | 13.209 | 1.289 | 1.289 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 459 | THR | 0 | -0.034 | -0.025 | 10.810 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 460 | LEU | 0 | 0.003 | 0.012 | 12.834 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 461 | THR | 0 | -0.004 | -0.009 | 12.031 | 0.848 | 0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 462 | GLY | 0 | 0.028 | 0.012 | 14.353 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 463 | GLY | 0 | 0.025 | 0.013 | 17.463 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 464 | LEU | 0 | -0.076 | -0.025 | 18.688 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 465 | ARG | 1 | 0.804 | 0.894 | 18.567 | -15.735 | -15.735 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 466 | TYR | 0 | -0.009 | 0.000 | 22.412 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 467 | ASP | -1 | -0.809 | -0.901 | 22.664 | 14.560 | 14.560 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 468 | ARG | 1 | 0.955 | 0.960 | 25.764 | -9.985 | -9.985 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 469 | PHE | 0 | 0.004 | 0.001 | 28.564 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 470 | LYS | 1 | 0.922 | 0.957 | 30.224 | -9.406 | -9.406 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 471 | VAL | 0 | 0.041 | 0.009 | 32.057 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 472 | LYS | 1 | 0.772 | 0.928 | 34.491 | -8.360 | -8.360 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 473 | THR | 0 | 0.081 | 0.043 | 37.321 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 474 | HIS | 0 | -0.027 | -0.028 | 38.660 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 475 | ASP | -1 | -0.695 | -0.846 | 41.161 | 7.496 | 7.496 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 476 | GLY | 0 | -0.052 | -0.033 | 42.558 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 477 | LYS | 1 | 0.883 | 0.945 | 41.427 | -7.660 | -7.660 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 478 | THR | 0 | -0.023 | -0.016 | 37.989 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 479 | VAL | 0 | 0.054 | 0.020 | 35.816 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 480 | SER | 0 | -0.063 | -0.031 | 34.346 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 481 | SER | 0 | 0.003 | 0.000 | 31.446 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 482 | SER | 0 | -0.047 | -0.015 | 29.803 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 483 | ASN | 0 | -0.011 | -0.001 | 26.584 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 484 | LEU | 0 | 0.072 | 0.041 | 26.149 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 485 | ASN | 0 | -0.086 | -0.055 | 21.451 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 486 | PRO | 0 | 0.017 | 0.029 | 21.389 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 487 | SER | 0 | -0.033 | -0.037 | 16.075 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 488 | PHE | 0 | 0.013 | 0.010 | 15.833 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 489 | GLY | 0 | 0.043 | 0.011 | 12.458 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 490 | VAL | 0 | -0.019 | 0.002 | 12.520 | -0.600 | -0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 491 | ILE | 0 | -0.051 | -0.030 | 6.707 | 2.075 | 2.075 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 492 | TRP | 0 | 0.009 | 0.014 | 10.174 | -0.745 | -0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 493 | GLN | 0 | 0.007 | -0.011 | 7.935 | 3.403 | 3.403 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 494 | PRO | 0 | -0.019 | 0.006 | 11.732 | -0.607 | -0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 495 | HIS | 0 | 0.071 | 0.034 | 13.057 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 496 | GLU | -1 | -0.872 | -0.938 | 11.420 | 19.471 | 19.471 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 497 | HIS | 0 | -0.025 | -0.006 | 10.026 | 1.529 | 1.529 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 498 | TRP | 0 | -0.028 | -0.022 | 10.507 | 1.326 | 1.326 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 499 | SER | 0 | 0.009 | 0.001 | 6.979 | 1.321 | 1.321 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 500 | PHE | 0 | -0.029 | -0.008 | 9.324 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 501 | SER | 0 | -0.007 | 0.012 | 8.260 | 1.243 | 1.243 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 502 | SER | 0 | 0.005 | -0.012 | 10.337 | -1.599 | -1.599 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 503 | SER | 0 | 0.039 | 0.015 | 11.018 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 504 | HIS | 0 | -0.022 | 0.000 | 13.561 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 505 | ASN | 0 | 0.028 | -0.002 | 12.670 | -1.022 | -1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 506 | TYR | 0 | -0.034 | -0.019 | 17.126 | -0.738 | -0.738 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 507 | ALA | 0 | 0.023 | 0.018 | 18.172 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 508 | SER | 0 | 0.023 | 0.008 | 20.321 | -0.543 | -0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 509 | ARG | 1 | 0.772 | 0.865 | 19.863 | -15.040 | -15.040 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 510 | SER | 0 | -0.008 | -0.009 | 23.857 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 511 | PRO | 0 | 0.042 | 0.018 | 26.977 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 512 | ARG | 1 | 0.740 | 0.863 | 24.044 | -12.754 | -12.754 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 513 | LEU | 0 | -0.018 | -0.001 | 29.211 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 514 | TYR | 0 | 0.035 | 0.011 | 31.690 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 515 | ASP | -1 | -0.800 | -0.894 | 33.016 | 9.906 | 9.906 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 516 | ALA | 0 | 0.052 | 0.012 | 33.089 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 517 | LEU | 0 | -0.092 | -0.034 | 34.876 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 518 | GLN | 0 | -0.012 | -0.022 | 37.322 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 519 | THR | 0 | -0.023 | -0.014 | 37.168 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 520 | HIS | 0 | 0.016 | 0.014 | 39.552 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 521 | GLY | 0 | 0.086 | 0.035 | 42.669 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 522 | LYS | 1 | 0.892 | 0.992 | 44.263 | -6.778 | -6.778 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 523 | ARG | 1 | 0.921 | 0.941 | 41.926 | -7.654 | -7.654 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 524 | GLY | 0 | 0.027 | 0.027 | 45.231 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 525 | ILE | 0 | -0.040 | -0.008 | 43.860 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 526 | ILE | 0 | -0.058 | -0.036 | 37.737 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 527 | SER | 0 | 0.046 | -0.012 | 40.092 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 528 | ILE | 0 | -0.049 | -0.014 | 34.734 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 529 | ALA | 0 | 0.020 | 0.026 | 38.585 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 530 | ASP | -1 | -0.893 | -0.962 | 39.013 | 7.664 | 7.664 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 531 | GLY | 0 | -0.039 | -0.021 | 37.994 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 532 | THR | 0 | -0.075 | -0.017 | 34.810 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 533 | LYS | 1 | 0.944 | 0.968 | 31.524 | -9.042 | -9.042 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 534 | ALA | 0 | -0.020 | -0.001 | 26.665 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 535 | GLU | -1 | -0.769 | -0.839 | 25.126 | 12.460 | 12.460 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 536 | ARG | 1 | 0.856 | 0.912 | 24.319 | -11.924 | -11.924 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 537 | ALA | 0 | 0.006 | 0.001 | 20.095 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 538 | ARG | 1 | 0.884 | 0.947 | 20.689 | -13.053 | -13.053 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 539 | ASN | 0 | -0.068 | -0.065 | 13.912 | -0.834 | -0.834 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 540 | THR | 0 | -0.008 | 0.008 | 16.358 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 541 | GLU | -1 | -0.730 | -0.869 | 10.889 | 25.853 | 25.853 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 542 | ILE | 0 | 0.021 | 0.030 | 12.668 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 543 | GLY | 0 | 0.023 | -0.002 | 8.893 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 544 | PHE | 0 | -0.008 | 0.016 | 8.559 | -1.136 | -1.136 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 545 | ASN | 0 | 0.002 | -0.012 | 3.631 | 0.322 | 0.583 | 0.009 | -0.083 | -0.187 | 0.000 |
457 | A | 546 | TYR | 0 | -0.036 | -0.033 | 7.087 | -1.281 | -1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 547 | ASN | 0 | -0.002 | -0.024 | 6.888 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 548 | ASP | -1 | -0.697 | -0.800 | 9.432 | 18.605 | 18.605 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 549 | GLY | 0 | -0.025 | -0.015 | 11.159 | -1.030 | -1.030 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 550 | THR | 0 | -0.040 | -0.006 | 12.462 | -0.764 | -0.764 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 551 | PHE | 0 | -0.063 | -0.047 | 13.609 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 552 | ALA | 0 | 0.028 | 0.020 | 8.088 | 0.968 | 0.968 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 553 | ALA | 0 | -0.041 | -0.028 | 9.002 | -1.392 | -1.392 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 554 | ASN | 0 | -0.052 | -0.017 | 6.093 | 2.596 | 2.596 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 555 | GLY | 0 | 0.035 | 0.013 | 8.084 | -1.855 | -1.855 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 556 | SER | 0 | 0.009 | 0.013 | 8.865 | 2.947 | 2.947 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 557 | TYR | 0 | -0.021 | -0.008 | 10.803 | -1.266 | -1.266 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 558 | PHE | 0 | -0.017 | 0.008 | 13.544 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 559 | TRP | 0 | 0.014 | -0.002 | 15.420 | -0.954 | -0.954 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 560 | GLN | 0 | -0.022 | -0.017 | 17.961 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 561 | THR | 0 | -0.071 | -0.037 | 20.241 | -0.975 | -0.975 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 562 | ILE | 0 | 0.023 | 0.011 | 21.010 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 563 | LYS | 1 | 0.951 | 0.978 | 24.705 | -11.734 | -11.734 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 564 | ASP | -1 | -0.876 | -0.936 | 27.748 | 10.458 | 10.458 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 565 | ALA | 0 | -0.011 | -0.010 | 27.995 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 566 | LEU | 0 | -0.015 | -0.025 | 28.868 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 567 | ALA | 0 | -0.020 | -0.009 | 29.786 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 568 | ASN | 0 | -0.052 | -0.005 | 32.087 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 569 | PRO | 0 | 0.017 | -0.015 | 35.729 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 570 | GLN | 0 | -0.001 | 0.014 | 38.293 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 571 | ASN | 0 | 0.030 | -0.007 | 41.387 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 572 | ARG | 1 | 0.813 | 0.886 | 43.292 | -7.361 | -7.361 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 573 | HIS | 0 | 0.066 | 0.014 | 46.460 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 574 | VAL | 0 | -0.056 | -0.011 | 49.716 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 575 | SER | 0 | -0.026 | -0.017 | 48.908 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 576 | ALA | 0 | 0.022 | 0.032 | 48.941 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 577 | ALA | 0 | 0.055 | -0.004 | 46.142 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 578 | VAL | 0 | -0.038 | 0.014 | 45.295 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 579 | ARG | 1 | 0.865 | 0.944 | 40.490 | -7.886 | -7.886 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 580 | GLU | -1 | -0.725 | -0.854 | 40.056 | 7.706 | 7.706 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 581 | ALA | 0 | -0.033 | 0.003 | 34.650 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 582 | VAL | 0 | 0.052 | 0.016 | 35.740 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 583 | ASN | 0 | -0.042 | -0.033 | 31.285 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 584 | ALA | 0 | 0.010 | 0.000 | 33.097 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 585 | GLY | 0 | 0.054 | 0.033 | 32.815 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 586 | TYR | 0 | -0.091 | -0.032 | 28.772 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 587 | ILE | 0 | 0.026 | 0.015 | 23.892 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 588 | LYS | 1 | 0.885 | 0.941 | 24.144 | -11.743 | -11.743 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 589 | ASN | 0 | 0.045 | 0.004 | 19.107 | -0.584 | -0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 590 | HIS | 0 | -0.014 | 0.003 | 18.931 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 591 | GLY | 0 | 0.044 | 0.023 | 17.859 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 592 | TYR | 0 | 0.004 | 0.006 | 14.347 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 593 | GLU | -1 | -0.835 | -0.944 | 10.147 | 26.518 | 26.518 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 594 | LEU | 0 | -0.011 | -0.003 | 11.270 | 0.680 | 0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 595 | GLY | 0 | 0.017 | 0.007 | 10.016 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 596 | ALA | 0 | -0.004 | -0.002 | 10.491 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 597 | SER | 0 | -0.068 | -0.045 | 10.559 | 0.790 | 0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 598 | TYR | 0 | 0.041 | 0.021 | 12.678 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 599 | ARG | 1 | 0.938 | 0.962 | 13.002 | -19.879 | -19.879 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 600 | THR | 0 | 0.059 | 0.036 | 15.998 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 601 | GLY | 0 | 0.022 | 0.006 | 19.361 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 602 | GLY | 0 | 0.006 | 0.008 | 20.020 | -0.528 | -0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 603 | LEU | 0 | 0.003 | 0.011 | 19.910 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 604 | THR | 0 | -0.045 | -0.024 | 14.507 | 1.128 | 1.128 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 605 | ALA | 0 | 0.025 | 0.015 | 16.267 | -0.657 | -0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 606 | LYS | 1 | 0.943 | 0.970 | 10.625 | -24.035 | -24.035 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 607 | VAL | 0 | 0.020 | 0.013 | 13.870 | -1.363 | -1.363 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 608 | GLY | 0 | 0.030 | 0.014 | 13.328 | 1.946 | 1.946 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 609 | VAL | 0 | -0.037 | -0.016 | 13.995 | -1.576 | -1.576 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 610 | SER | 0 | 0.010 | 0.013 | 14.334 | 1.279 | 1.279 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 611 | HIS | 0 | 0.032 | -0.001 | 16.005 | -0.932 | -0.932 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 612 | SER | 0 | 0.005 | 0.012 | 17.773 | 0.564 | 0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 613 | LYS | 1 | 0.919 | 0.979 | 19.617 | -12.377 | -12.377 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 614 | PRO | 0 | 0.026 | 0.041 | 21.968 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 615 | ARG | 1 | 0.809 | 0.883 | 23.747 | -12.204 | -12.204 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 616 | PHE | 0 | 0.030 | 0.004 | 24.992 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 617 | TYR | 0 | 0.010 | -0.003 | 28.279 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 618 | ASP | -1 | -0.832 | -0.933 | 32.205 | 9.316 | 9.316 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 619 | THR | 0 | -0.005 | -0.023 | 34.546 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 620 | HIS | 0 | 0.002 | -0.012 | 36.932 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 621 | PRO | 0 | 0.040 | 0.015 | 39.290 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 622 | LYS | 1 | 0.900 | 0.956 | 42.202 | -7.020 | -7.020 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 623 | LYS | 1 | 0.959 | 0.974 | 37.875 | -7.958 | -7.958 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 624 | LEU | 0 | 0.014 | 0.021 | 36.570 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 625 | LEU | 0 | 0.008 | 0.013 | 30.555 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 626 | SER | 0 | 0.009 | 0.005 | 31.546 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 627 | ALA | 0 | 0.006 | -0.006 | 30.618 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 628 | ASN | 0 | 0.006 | 0.012 | 30.454 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 629 | PRO | 0 | 0.037 | 0.016 | 26.883 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 630 | GLU | -1 | -0.847 | -0.930 | 25.222 | 12.092 | 12.092 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 631 | PHE | 0 | 0.023 | 0.013 | 24.384 | 0.519 | 0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 632 | GLY | 0 | 0.069 | 0.037 | 23.530 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 633 | ALA | 0 | -0.039 | -0.022 | 23.719 | -0.717 | -0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 634 | GLN | 0 | -0.020 | -0.012 | 23.454 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 635 | VAL | 0 | 0.002 | 0.013 | 20.921 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 636 | GLY | 0 | 0.003 | 0.004 | 23.456 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 637 | ARG | 1 | 0.881 | 0.960 | 20.027 | -12.957 | -12.957 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 638 | ALA | 0 | 0.029 | 0.008 | 18.107 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 639 | TRP | 0 | -0.027 | -0.027 | 18.038 | 0.815 | 0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 640 | THR | 0 | -0.042 | -0.021 | 14.253 | -0.745 | -0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 641 | ALA | 0 | 0.016 | 0.004 | 16.798 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 642 | SER | 0 | -0.066 | -0.070 | 15.585 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 643 | LEU | 0 | -0.018 | 0.000 | 17.985 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 644 | ALA | 0 | -0.002 | -0.008 | 18.615 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 645 | TYR | 0 | 0.014 | 0.005 | 20.436 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 646 | ARG | 1 | 0.863 | 0.910 | 19.630 | -15.028 | -15.028 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 647 | PHE | 0 | -0.009 | 0.003 | 23.147 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 648 | GLN | 0 | 0.033 | 0.001 | 25.634 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 649 | ASN | 0 | -0.060 | -0.011 | 27.620 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 650 | PRO | 0 | 0.061 | 0.023 | 30.505 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 651 | ASN | 0 | 0.030 | 0.012 | 23.888 | 0.522 | 0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 652 | LEU | 0 | 0.003 | -0.010 | 25.876 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 653 | GLU | -1 | -0.949 | -0.969 | 18.963 | 16.614 | 16.614 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 654 | ILE | 0 | 0.008 | 0.011 | 23.491 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 655 | GLY | 0 | 0.041 | 0.008 | 21.633 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 656 | TRP | 0 | -0.050 | -0.016 | 20.904 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 657 | ARG | 1 | 0.914 | 0.945 | 15.775 | -17.033 | -17.033 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 658 | GLY | 0 | 0.018 | 0.025 | 19.714 | -0.833 | -0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 659 | ARG | 1 | 0.823 | 0.903 | 16.356 | -16.712 | -16.712 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 660 | TYR | 0 | 0.003 | 0.005 | 20.811 | -0.869 | -0.869 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 661 | VAL | 0 | 0.003 | 0.020 | 21.720 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 662 | GLN | 0 | 0.034 | 0.020 | 23.666 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 663 | LYS | 1 | 0.968 | 0.975 | 26.144 | -9.333 | -9.333 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 664 | ALA | 0 | 0.031 | 0.026 | 26.608 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 665 | VAL | 0 | -0.022 | -0.026 | 28.429 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 666 | GLY | 0 | -0.015 | -0.006 | 29.801 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 667 | SER | 0 | 0.001 | -0.009 | 30.285 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 668 | ILE | 0 | 0.026 | 0.018 | 26.296 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 669 | LEU | 0 | -0.006 | 0.003 | 28.849 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 670 | VAL | 0 | -0.033 | -0.016 | 30.579 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 671 | ALA | 0 | -0.022 | -0.006 | 32.974 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 672 | GLY | 0 | -0.014 | 0.004 | 35.066 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 673 | GLN | 0 | -0.018 | 0.003 | 33.097 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 674 | LYS | 1 | 0.916 | 0.950 | 36.564 | -8.083 | -8.083 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 675 | ASP | -1 | -0.688 | -0.847 | 39.290 | 7.641 | 7.641 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 676 | ARG | 1 | 1.012 | 1.083 | 41.372 | -6.999 | -6.999 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 677 | ASN | 0 | -0.152 | -0.136 | 44.476 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 678 | GLY | 0 | 0.006 | -0.002 | 46.104 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 679 | LYS | 1 | 0.901 | 0.958 | 44.463 | -6.960 | -6.960 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 680 | LEU | 0 | -0.037 | -0.017 | 39.291 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 681 | GLU | -1 | -0.800 | -0.910 | 37.367 | 8.678 | 8.678 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 682 | ASN | 0 | -0.023 | -0.016 | 37.630 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 683 | VAL | 0 | -0.037 | -0.002 | 31.657 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 684 | VAL | 0 | 0.019 | 0.015 | 32.973 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 685 | ARG | 1 | 0.907 | 0.962 | 27.868 | -11.447 | -11.447 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 686 | LYS | 1 | 0.979 | 0.985 | 30.371 | -8.885 | -8.885 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 687 | GLY | 0 | 0.040 | 0.027 | 27.957 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 688 | PHE | 0 | -0.035 | -0.023 | 24.096 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 689 | GLY | 0 | 0.040 | 0.014 | 25.616 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 690 | VAL | 0 | -0.041 | -0.010 | 23.794 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 691 | ASN | 0 | 0.043 | 0.021 | 23.842 | 0.845 | 0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 692 | ASP | -1 | -0.761 | -0.867 | 22.114 | 13.353 | 13.353 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 693 | VAL | 0 | -0.018 | -0.015 | 24.068 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 694 | PHE | 0 | -0.032 | -0.024 | 19.148 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 695 | ALA | 0 | 0.022 | 0.000 | 24.196 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 696 | ASN | 0 | 0.006 | 0.018 | 21.883 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 697 | TRP | 0 | 0.017 | 0.026 | 23.898 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 698 | LYS | 1 | 0.870 | 0.948 | 20.159 | -14.866 | -14.866 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 699 | PRO | 0 | 0.007 | -0.009 | 26.784 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 700 | LEU | 0 | -0.019 | -0.016 | 29.069 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 701 | GLY | 0 | 0.000 | 0.008 | 27.431 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 702 | LYS | 1 | 0.950 | 0.983 | 24.749 | -10.972 | -10.972 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 703 | ASP | -1 | -0.879 | -0.951 | 19.904 | 15.492 | 15.492 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 704 | THR | 0 | -0.015 | -0.015 | 23.053 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 705 | LEU | 0 | 0.001 | -0.004 | 25.963 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 706 | ASN | 0 | -0.019 | -0.004 | 21.828 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 707 | VAL | 0 | -0.002 | -0.016 | 25.519 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 708 | ASN | 0 | 0.003 | -0.003 | 22.975 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 709 | LEU | 0 | 0.023 | 0.019 | 25.916 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 710 | SER | 0 | 0.022 | 0.005 | 24.313 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 711 | VAL | 0 | -0.019 | -0.002 | 26.368 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 712 | ASN | 0 | 0.052 | 0.023 | 23.098 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 713 | ASN | 0 | -0.040 | -0.039 | 25.833 | -0.601 | -0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 714 | VAL | 0 | 0.065 | 0.035 | 27.565 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 715 | PHE | 0 | -0.040 | -0.036 | 29.250 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 716 | ASN | 0 | -0.018 | 0.009 | 31.341 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 717 | THR | 0 | 0.011 | 0.003 | 29.517 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 718 | PHE | 0 | 0.000 | 0.018 | 31.252 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 719 | TYR | 0 | -0.009 | -0.023 | 24.891 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 720 | TYR | 0 | 0.023 | 0.029 | 29.953 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 721 | PRO | 0 | -0.004 | 0.013 | 24.617 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 722 | HIS | 0 | -0.033 | -0.043 | 24.494 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 723 | SER | 0 | -0.029 | -0.010 | 22.091 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 724 | GLN | 0 | 0.058 | 0.033 | 24.585 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 725 | ARG | 1 | 0.834 | 0.897 | 27.966 | -9.844 | -9.844 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 726 | TRP | 0 | -0.047 | -0.063 | 31.507 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 727 | THR | 0 | -0.007 | 0.015 | 32.561 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 728 | ASN | 0 | -0.019 | -0.015 | 34.090 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 729 | THR | 0 | 0.010 | 0.018 | 31.311 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 730 | LEU | 0 | 0.013 | 0.010 | 30.349 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 731 | PRO | 0 | 0.011 | 0.011 | 30.325 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 732 | GLY | 0 | 0.014 | -0.019 | 28.117 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 733 | VAL | 0 | -0.020 | -0.005 | 27.730 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 734 | GLY | 0 | 0.022 | 0.023 | 29.010 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 735 | ARG | 1 | 0.881 | 0.929 | 30.188 | -9.082 | -9.082 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 736 | ASP | -1 | -0.820 | -0.909 | 28.224 | 10.708 | 10.708 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 737 | VAL | 0 | -0.030 | -0.013 | 28.820 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 738 | ARG | 1 | 0.845 | 0.922 | 25.285 | -12.307 | -12.307 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 739 | LEU | 0 | 0.019 | 0.015 | 28.787 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 740 | GLY | 0 | 0.011 | -0.001 | 26.884 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 741 | VAL | 0 | -0.017 | 0.001 | 27.747 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 742 | ASN | 0 | -0.047 | -0.019 | 22.909 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 743 | TYR | 0 | 0.029 | 0.001 | 26.736 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 744 | LYS | 1 | 0.899 | 0.962 | 21.966 | -14.234 | -14.234 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 745 | PHE | 0 | 0.053 | 0.063 | 28.241 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |