FMODB ID: V5G31
Calculation Name: 3LO7-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LO7
Chain ID: A
UniProt ID: P9WKD1
Base Structure: X-ray
Registration Date: 2023-09-19
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 | OptAll |
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 | 421 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6833864.120353 |
---|---|
FMO2-HF: Nuclear repulsion | 6679561.817376 |
FMO2-HF: Total energy | -154302.302977 |
FMO2-MP2: Total energy | -154755.819448 |
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:45:LEU)
Summations of interaction energy for
fragment #1(A:45:LEU)
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. |
-10.626 | -2.213 | 6.871 | -4.699 | -10.583 | 0.005 |
Interaction energy analysis for fragmet #1(A:45:LEU)
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 | 47 | GLU | -1 | -0.790 | -0.850 | 2.879 | -3.392 | -0.719 | 0.100 | -1.114 | -1.660 | 0.000 |
4 | A | 48 | TYR | 0 | -0.003 | -0.005 | 2.248 | 0.467 | 1.820 | 0.592 | -0.499 | -1.446 | -0.001 |
5 | A | 49 | SER | 0 | -0.093 | -0.060 | 3.991 | 1.139 | 1.439 | 0.000 | -0.042 | -0.257 | 0.000 |
6 | A | 50 | ARG | 1 | 0.912 | 0.952 | 5.658 | 2.125 | 2.125 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 51 | GLN | 0 | -0.013 | -0.001 | 9.210 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 52 | ARG | 1 | 0.783 | 0.872 | 9.420 | 0.790 | 0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 53 | GLY | 0 | 0.026 | 0.025 | 11.633 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 54 | GLN | 0 | -0.002 | -0.015 | 15.204 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 55 | ILE | 0 | 0.017 | 0.017 | 17.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 56 | THR | 0 | -0.009 | -0.030 | 20.125 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 57 | ALA | 0 | 0.056 | 0.045 | 23.715 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 58 | GLY | 0 | 0.036 | 0.022 | 27.264 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 59 | GLY | 0 | -0.010 | 0.001 | 28.306 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 60 | GLN | 0 | -0.032 | -0.011 | 27.004 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 61 | LEU | 0 | -0.006 | -0.014 | 20.972 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 62 | LEU | 0 | -0.008 | 0.001 | 21.851 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 63 | ALA | 0 | 0.027 | 0.004 | 16.563 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 64 | TYR | 0 | -0.011 | -0.004 | 16.304 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 65 | SER | 0 | 0.029 | 0.020 | 11.394 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 66 | VAL | 0 | -0.024 | 0.004 | 13.294 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 67 | ALA | 0 | 0.000 | 0.010 | 11.041 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 68 | THR | 0 | -0.048 | -0.042 | 10.108 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 69 | ASP | -1 | -0.887 | -0.947 | 9.896 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 70 | GLY | 0 | 0.011 | 0.016 | 8.268 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 71 | ARG | 1 | 0.941 | 0.956 | 2.371 | -6.147 | -5.982 | 3.293 | -0.798 | -2.659 | 0.008 |
28 | A | 72 | PHE | 0 | -0.056 | -0.027 | 2.356 | -6.217 | -2.599 | 2.887 | -2.216 | -4.289 | -0.002 |
29 | A | 73 | ARG | 1 | 1.035 | 1.015 | 4.104 | 0.789 | 1.006 | 0.000 | -0.025 | -0.192 | 0.000 |
30 | A | 74 | PHE | 0 | 0.011 | 0.023 | 6.953 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 75 | LEU | 0 | 0.015 | 0.016 | 8.517 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 76 | ARG | 1 | 0.730 | 0.815 | 10.815 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 77 | VAL | 0 | 0.011 | 0.005 | 12.637 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 78 | TYR | 0 | 0.012 | -0.040 | 14.362 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 79 | PRO | 0 | -0.020 | -0.010 | 19.346 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 80 | ASN | 0 | -0.011 | -0.012 | 22.541 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 81 | PRO | 0 | 0.034 | 0.027 | 21.313 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 82 | GLU | -1 | -0.873 | -0.939 | 23.052 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 83 | VAL | 0 | 0.004 | 0.031 | 25.598 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 84 | TYR | 0 | 0.040 | 0.005 | 23.650 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 85 | ALA | 0 | 0.026 | 0.040 | 21.469 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 86 | PRO | 0 | -0.016 | -0.010 | 21.951 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 87 | VAL | 0 | -0.020 | -0.002 | 23.362 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 88 | THR | 0 | -0.012 | -0.035 | 18.708 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 89 | GLY | 0 | -0.023 | 0.015 | 18.321 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 90 | PHE | 0 | 0.012 | -0.001 | 13.460 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 91 | TYR | 0 | -0.034 | -0.068 | 5.987 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 92 | SER | 0 | -0.041 | -0.016 | 10.157 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 93 | LEU | 0 | -0.035 | -0.015 | 4.688 | -0.062 | 0.025 | -0.001 | -0.005 | -0.080 | 0.000 |
50 | A | 94 | ARG | 1 | 0.834 | 0.921 | 7.507 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 95 | TYR | 0 | 0.041 | 0.005 | 10.603 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 96 | SER | 0 | 0.026 | 0.035 | 9.906 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 97 | SER | 0 | 0.041 | 0.006 | 10.952 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 98 | THR | 0 | 0.003 | 0.004 | 13.237 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 99 | ALA | 0 | 0.051 | 0.011 | 17.087 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 100 | LEU | 0 | 0.035 | 0.019 | 18.995 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 101 | GLU | -1 | -0.735 | -0.806 | 13.824 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 102 | ARG | 1 | 0.847 | 0.911 | 13.476 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 103 | ALA | 0 | -0.064 | -0.034 | 15.904 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 104 | GLU | -1 | -0.817 | -0.924 | 17.819 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 105 | ASP | -1 | -0.778 | -0.850 | 11.240 | -0.730 | -0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 106 | PRO | 0 | 0.029 | 0.006 | 13.369 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 107 | ILE | 0 | -0.012 | 0.013 | 14.992 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 108 | LEU | 0 | -0.008 | 0.019 | 13.629 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 109 | ASN | 0 | -0.008 | 0.001 | 9.398 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 110 | GLY | 0 | 0.060 | 0.026 | 11.123 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 111 | SER | 0 | -0.082 | -0.060 | 12.530 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 112 | ASP | -1 | -0.801 | -0.880 | 14.580 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 113 | ARG | 1 | 0.988 | 0.979 | 17.963 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 114 | ARG | 1 | 0.817 | 0.899 | 20.731 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 115 | LEU | 0 | -0.074 | -0.011 | 17.045 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 130 | ARG | 1 | 0.841 | 0.901 | 14.177 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 131 | GLY | 0 | 0.004 | 0.024 | 13.950 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 132 | GLY | 0 | 0.007 | -0.003 | 14.841 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 133 | ASN | 0 | -0.012 | -0.028 | 17.333 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 134 | VAL | 0 | -0.007 | -0.007 | 18.932 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 135 | ASP | -1 | -0.806 | -0.862 | 21.561 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 136 | THR | 0 | -0.046 | -0.058 | 23.894 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 137 | THR | 0 | -0.068 | -0.056 | 26.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 138 | ILE | 0 | -0.041 | 0.000 | 27.304 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 139 | ASN | 0 | 0.034 | 0.013 | 30.058 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 140 | PRO | 0 | 0.022 | -0.003 | 29.063 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 141 | ARG | 1 | 0.857 | 0.926 | 31.179 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 142 | ILE | 0 | -0.022 | 0.005 | 34.572 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 143 | GLN | 0 | 0.009 | -0.016 | 28.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 144 | GLN | 0 | -0.030 | -0.022 | 31.106 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 145 | ALA | 0 | 0.037 | 0.020 | 32.898 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 146 | GLY | 0 | 0.011 | -0.007 | 35.254 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 147 | TRP | 0 | -0.020 | -0.010 | 29.638 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 148 | ASP | -1 | -0.819 | -0.905 | 33.452 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 149 | ALA | 0 | -0.038 | -0.019 | 36.046 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 150 | MET | 0 | -0.034 | -0.015 | 35.030 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 151 | GLN | 0 | -0.013 | -0.004 | 32.662 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 152 | GLN | 0 | -0.001 | -0.005 | 36.579 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 153 | GLY | 0 | -0.026 | -0.004 | 39.982 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 154 | CYS | 0 | -0.098 | -0.033 | 37.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 155 | TYR | 0 | -0.048 | -0.032 | 42.593 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 156 | GLY | 0 | 0.026 | 0.027 | 40.164 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 157 | PRO | 0 | 0.004 | -0.001 | 35.202 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 159 | LYS | 1 | 0.809 | 0.906 | 33.841 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 160 | GLY | 0 | 0.033 | 0.018 | 34.425 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 161 | ALA | 0 | -0.044 | -0.030 | 33.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 162 | VAL | 0 | 0.024 | 0.010 | 33.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 163 | VAL | 0 | -0.021 | -0.004 | 33.325 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 164 | ALA | 0 | 0.016 | 0.007 | 34.792 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 165 | LEU | 0 | -0.005 | -0.004 | 35.047 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 166 | GLU | -1 | -0.734 | -0.824 | 37.176 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 167 | PRO | 0 | -0.020 | -0.013 | 39.126 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 168 | SER | 0 | 0.021 | 0.010 | 41.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 169 | THR | 0 | -0.089 | -0.083 | 37.652 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 170 | GLY | 0 | 0.051 | 0.027 | 36.589 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 171 | LYS | 1 | 0.814 | 0.900 | 33.408 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 172 | ILE | 0 | 0.024 | 0.005 | 30.080 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 173 | LEU | 0 | 0.009 | 0.022 | 31.483 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 174 | ALA | 0 | 0.010 | -0.002 | 31.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 175 | LEU | 0 | -0.028 | -0.018 | 26.916 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 176 | VAL | 0 | 0.007 | 0.016 | 28.917 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 177 | SER | 0 | -0.015 | -0.009 | 28.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 178 | SER | 0 | 0.039 | 0.025 | 30.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 179 | PRO | 0 | 0.034 | -0.002 | 29.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 180 | SER | 0 | -0.023 | -0.020 | 25.935 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 181 | TYR | 0 | -0.002 | -0.011 | 18.965 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 182 | ASP | -1 | -0.741 | -0.877 | 20.456 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 183 | PRO | 0 | -0.027 | -0.016 | 17.065 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 184 | ASN | 0 | -0.018 | -0.030 | 15.873 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 185 | LEU | 0 | -0.005 | 0.001 | 15.821 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 186 | LEU | 0 | -0.027 | -0.014 | 14.511 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 187 | ALA | 0 | 0.039 | 0.037 | 11.447 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 188 | SER | 0 | -0.005 | 0.010 | 11.208 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 189 | HIS | 1 | 0.841 | 0.901 | 7.863 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 190 | ASN | 0 | 0.039 | 0.043 | 9.822 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 191 | PRO | 0 | 0.039 | 0.018 | 10.947 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 192 | GLU | -1 | -0.835 | -0.901 | 12.676 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 193 | VAL | 0 | -0.011 | -0.007 | 15.991 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 194 | GLN | 0 | 0.024 | 0.012 | 10.277 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 195 | ALA | 0 | -0.007 | 0.002 | 15.500 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 196 | GLN | 0 | -0.001 | -0.017 | 17.637 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 197 | ALA | 0 | -0.030 | -0.005 | 18.280 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 198 | TRP | 0 | 0.032 | 0.005 | 17.543 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 199 | GLN | 0 | -0.060 | -0.044 | 19.754 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 200 | ARG | 1 | 0.906 | 0.947 | 22.212 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 201 | LEU | 0 | -0.044 | -0.021 | 20.598 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 202 | GLY | 0 | -0.002 | 0.003 | 23.797 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 203 | ASP | -1 | -0.855 | -0.913 | 24.922 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 204 | ASN | 0 | -0.035 | -0.010 | 27.633 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 205 | PRO | 0 | 0.043 | 0.006 | 29.467 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 206 | ALA | 0 | -0.013 | 0.004 | 31.132 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 207 | SER | 0 | -0.001 | 0.007 | 27.895 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 208 | PRO | 0 | 0.039 | 0.023 | 25.638 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 209 | LEU | 0 | -0.013 | -0.004 | 20.407 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 210 | THR | 0 | -0.048 | -0.019 | 23.901 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 211 | ASN | 0 | 0.023 | 0.002 | 25.490 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 212 | ARG | 1 | 0.827 | 0.878 | 27.319 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 213 | ALA | 0 | 0.011 | 0.017 | 30.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 214 | ILE | 0 | -0.056 | -0.038 | 26.403 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 215 | SER | 0 | 0.003 | -0.007 | 27.024 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 216 | GLU | -1 | -0.755 | -0.815 | 29.419 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 217 | THR | 0 | -0.023 | -0.014 | 32.589 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 218 | TYR | 0 | -0.043 | -0.064 | 34.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 219 | PRO | 0 | 0.041 | 0.028 | 39.571 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 220 | PRO | 0 | -0.007 | 0.030 | 43.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 221 | GLY | 0 | 0.042 | 0.027 | 44.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 222 | SER | 0 | -0.011 | -0.029 | 47.869 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 223 | THR | 0 | -0.029 | -0.006 | 44.947 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 224 | PHE | 0 | 0.078 | 0.028 | 46.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 225 | LYS | 1 | 0.877 | 0.942 | 48.365 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 226 | VAL | 0 | 0.011 | 0.026 | 48.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 227 | ILE | 0 | 0.014 | 0.018 | 46.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 228 | THR | 0 | -0.020 | -0.039 | 50.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 229 | THR | 0 | -0.017 | -0.025 | 53.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 230 | ALA | 0 | 0.003 | 0.001 | 51.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 231 | ALA | 0 | -0.021 | -0.007 | 53.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 232 | ALA | 0 | 0.042 | 0.025 | 54.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 233 | LEU | 0 | -0.040 | -0.026 | 56.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 234 | ALA | 0 | -0.057 | -0.029 | 55.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 235 | ALA | 0 | -0.040 | -0.012 | 57.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 236 | GLY | 0 | -0.016 | 0.001 | 60.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 237 | ALA | 0 | -0.017 | 0.006 | 61.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 238 | THR | 0 | -0.012 | -0.019 | 62.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 239 | GLU | -1 | -0.773 | -0.882 | 61.028 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 240 | THR | 0 | 0.013 | -0.006 | 63.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 241 | GLU | -1 | -0.882 | -0.918 | 64.857 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 242 | GLN | 0 | 0.013 | 0.011 | 65.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 243 | LEU | 0 | -0.011 | 0.005 | 61.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 244 | THR | 0 | -0.002 | -0.008 | 64.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 245 | ALA | 0 | 0.045 | 0.023 | 64.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 246 | ALA | 0 | 0.020 | 0.024 | 65.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 247 | PRO | 0 | 0.036 | 0.039 | 63.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 248 | THR | 0 | 0.001 | -0.017 | 62.135 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 249 | ILE | 0 | -0.053 | -0.022 | 61.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 250 | PRO | 0 | 0.025 | 0.021 | 62.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 258 | LEU | 0 | -0.018 | -0.020 | 54.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 259 | GLU | -1 | -0.893 | -0.948 | 57.820 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 260 | ASN | 0 | -0.025 | -0.009 | 57.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 261 | TYR | 0 | -0.040 | -0.037 | 51.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 262 | GLY | 0 | 0.025 | 0.013 | 56.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 263 | GLY | 0 | 0.029 | 0.022 | 58.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 264 | ALA | 0 | 0.000 | 0.012 | 61.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 265 | PRO | 0 | 0.022 | 0.005 | 62.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 266 | CYS | 0 | -0.083 | -0.024 | 56.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 267 | GLY | 0 | 0.026 | 0.000 | 63.855 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 268 | ASP | -1 | -0.895 | -0.930 | 67.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 269 | GLU | -1 | -0.931 | -0.958 | 69.342 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 270 | PRO | 0 | -0.017 | -0.011 | 70.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 271 | THR | 0 | -0.061 | -0.055 | 68.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 272 | VAL | 0 | 0.028 | 0.016 | 63.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 273 | SER | 0 | 0.018 | 0.008 | 65.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 274 | LEU | 0 | 0.028 | 0.022 | 59.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 275 | ARG | 1 | 0.925 | 0.931 | 60.606 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 276 | GLU | -1 | -0.841 | -0.904 | 60.658 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 277 | ALA | 0 | 0.039 | 0.006 | 60.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 278 | PHE | 0 | -0.024 | -0.010 | 52.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 279 | VAL | 0 | -0.048 | -0.016 | 56.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 280 | LYS | 1 | 0.844 | 0.937 | 57.310 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 281 | SER | 0 | -0.005 | -0.018 | 54.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 283 | ASN | 0 | 0.034 | 0.003 | 54.776 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 284 | THR | 0 | -0.016 | -0.018 | 57.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 285 | ALA | 0 | 0.043 | 0.029 | 60.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 286 | PHE | 0 | 0.014 | -0.007 | 56.005 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 287 | VAL | 0 | -0.020 | 0.000 | 57.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 288 | GLN | 0 | 0.015 | 0.010 | 58.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 289 | LEU | 0 | 0.024 | 0.013 | 58.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 290 | GLY | 0 | 0.035 | 0.020 | 56.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 291 | ILE | 0 | -0.034 | -0.031 | 57.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 292 | ARG | 1 | 0.754 | 0.864 | 60.231 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 293 | THR | 0 | -0.028 | -0.016 | 56.971 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 294 | GLY | 0 | 0.033 | 0.026 | 58.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 295 | ALA | 0 | 0.019 | -0.011 | 54.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 296 | ASP | -1 | -0.859 | -0.919 | 53.809 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 297 | ALA | 0 | 0.017 | 0.016 | 53.712 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 298 | LEU | 0 | 0.006 | 0.009 | 51.431 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 299 | ARG | 1 | 0.857 | 0.906 | 49.600 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 300 | SER | 0 | -0.018 | -0.009 | 48.844 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 301 | MET | 0 | -0.020 | 0.009 | 49.449 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 302 | ALA | 0 | 0.022 | 0.006 | 46.253 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 303 | ARG | 1 | 0.941 | 0.964 | 44.774 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 304 | ALA | 0 | -0.035 | 0.001 | 44.735 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 305 | PHE | 0 | 0.010 | -0.027 | 44.508 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 306 | GLY | 0 | -0.063 | -0.012 | 41.124 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 307 | LEU | 0 | -0.036 | -0.007 | 40.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 308 | ASP | -1 | -0.817 | -0.902 | 41.211 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 309 | SER | 0 | 0.004 | 0.005 | 39.598 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 310 | PRO | 0 | 0.030 | 0.034 | 34.233 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 311 | PRO | 0 | 0.049 | 0.046 | 32.215 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 312 | ARG | 1 | 0.824 | 0.891 | 31.580 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 313 | PRO | 0 | 0.009 | 0.018 | 26.369 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 314 | THR | 0 | 0.007 | 0.014 | 27.416 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 315 | PRO | 0 | 0.029 | 0.004 | 23.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 316 | LEU | 0 | 0.002 | 0.008 | 22.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 317 | GLN | 0 | 0.006 | -0.002 | 24.715 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 318 | VAL | 0 | -0.005 | -0.004 | 26.775 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 319 | ALA | 0 | 0.010 | 0.008 | 30.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 320 | GLU | -1 | -0.897 | -0.968 | 32.162 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 321 | SER | 0 | -0.013 | 0.001 | 35.428 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 322 | THR | 0 | -0.048 | -0.042 | 38.612 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 323 | VAL | 0 | 0.002 | -0.018 | 42.030 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 324 | GLY | 0 | 0.029 | 0.023 | 44.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 325 | PRO | 0 | -0.015 | -0.017 | 46.124 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 326 | ILE | 0 | -0.025 | 0.002 | 48.948 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 327 | PRO | 0 | -0.010 | -0.006 | 51.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 328 | ASP | -1 | -0.786 | -0.890 | 54.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 329 | SER | 0 | 0.039 | 0.007 | 56.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 330 | ALA | 0 | 0.034 | 0.023 | 58.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 331 | ALA | 0 | -0.003 | -0.007 | 52.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 332 | LEU | 0 | 0.009 | 0.030 | 53.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 333 | GLY | 0 | 0.037 | 0.028 | 54.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 334 | MET | 0 | -0.023 | -0.023 | 51.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 335 | THR | 0 | -0.012 | -0.021 | 49.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 336 | SER | 0 | -0.035 | -0.030 | 50.879 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 337 | ILE | 0 | -0.057 | -0.015 | 52.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 338 | GLY | 0 | 0.008 | 0.013 | 48.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 339 | GLN | 0 | -0.007 | -0.023 | 47.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 340 | LYS | 1 | 0.819 | 0.876 | 48.672 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 341 | ASP | -1 | -0.789 | -0.878 | 45.658 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 342 | VAL | 0 | -0.044 | 0.004 | 44.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 343 | ALA | 0 | -0.012 | -0.008 | 39.896 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 344 | LEU | 0 | 0.027 | -0.003 | 39.093 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 345 | THR | 0 | 0.025 | 0.035 | 33.228 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 346 | PRO | 0 | -0.016 | -0.017 | 34.467 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 347 | LEU | 0 | 0.009 | 0.015 | 31.951 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 348 | ALA | 0 | 0.043 | 0.029 | 35.467 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 349 | ASN | 0 | 0.012 | -0.027 | 38.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 350 | ALA | 0 | -0.013 | -0.003 | 37.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 351 | GLU | -1 | -0.822 | -0.920 | 36.689 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 352 | ILE | 0 | -0.026 | 0.020 | 40.033 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 353 | ALA | 0 | 0.024 | 0.013 | 42.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 354 | ALA | 0 | 0.005 | -0.013 | 40.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 355 | THR | 0 | -0.034 | -0.019 | 42.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 356 | ILE | 0 | -0.048 | -0.019 | 44.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 357 | ALA | 0 | -0.003 | 0.005 | 45.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 358 | ASN | 0 | -0.041 | -0.024 | 44.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 359 | GLY | 0 | 0.034 | 0.021 | 46.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 360 | GLY | 0 | 0.016 | 0.000 | 48.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 361 | ILE | 0 | -0.059 | -0.032 | 44.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 362 | THR | 0 | 0.027 | 0.007 | 39.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 363 | MET | 0 | -0.020 | 0.006 | 38.992 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 364 | ARG | 1 | 0.856 | 0.913 | 29.988 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 365 | PRO | 0 | 0.031 | 0.020 | 33.070 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 366 | TYR | 0 | -0.073 | -0.038 | 29.965 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 367 | LEU | 0 | 0.055 | 0.021 | 24.934 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 368 | VAL | 0 | 0.027 | 0.015 | 23.546 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 369 | GLY | 0 | 0.011 | 0.022 | 26.704 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 370 | SER | 0 | -0.054 | -0.028 | 27.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 371 | LEU | 0 | -0.012 | 0.010 | 21.547 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 372 | LYS | 1 | 0.868 | 0.924 | 22.493 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 373 | GLY | 0 | 0.101 | 0.055 | 21.169 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 374 | PRO | 0 | -0.040 | -0.022 | 18.142 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 375 | ASP | -1 | -0.883 | -0.954 | 20.043 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 376 | LEU | 0 | -0.063 | -0.032 | 22.799 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 377 | ALA | 0 | 0.032 | 0.032 | 24.915 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 378 | ASN | 0 | -0.038 | -0.039 | 25.606 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 379 | ILE | 0 | 0.011 | 0.011 | 22.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 380 | SER | 0 | -0.023 | -0.015 | 26.149 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 381 | THR | 0 | -0.038 | -0.034 | 27.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 382 | THR | 0 | -0.051 | -0.023 | 28.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 383 | VAL | 0 | 0.011 | 0.015 | 31.273 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 384 | GLY | 0 | 0.017 | 0.013 | 34.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 385 | TYR | 0 | -0.040 | -0.023 | 34.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 386 | GLN | 0 | 0.057 | 0.013 | 38.977 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 387 | GLN | 0 | -0.036 | -0.019 | 35.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 388 | ARG | 1 | 0.848 | 0.909 | 39.170 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 389 | ARG | 1 | 0.828 | 0.896 | 44.279 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 390 | ALA | 0 | 0.008 | 0.030 | 46.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 391 | VAL | 0 | 0.025 | 0.019 | 48.119 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 392 | SER | 0 | 0.037 | 0.023 | 51.606 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 393 | PRO | 0 | 0.039 | 0.006 | 53.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 394 | GLN | 0 | 0.054 | 0.021 | 54.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 395 | VAL | 0 | 0.028 | 0.020 | 53.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 396 | ALA | 0 | 0.016 | 0.009 | 51.396 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 397 | ALA | 0 | 0.012 | 0.020 | 52.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 398 | LYS | 1 | 0.913 | 0.936 | 55.703 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 399 | LEU | 0 | -0.009 | -0.012 | 51.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 400 | THR | 0 | -0.002 | -0.009 | 52.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 401 | GLU | -1 | -0.955 | -0.975 | 53.578 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 402 | LEU | 0 | -0.020 | -0.005 | 55.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 403 | MET | 0 | -0.018 | -0.002 | 47.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 404 | VAL | 0 | -0.004 | -0.004 | 53.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 405 | GLY | 0 | -0.002 | 0.011 | 54.937 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 406 | ALA | 0 | 0.013 | -0.009 | 53.645 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 407 | GLU | -1 | -0.783 | -0.825 | 50.270 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 408 | LYS | 1 | 0.839 | 0.913 | 53.462 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 409 | VAL | 0 | 0.002 | 0.015 | 56.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 410 | ALA | 0 | -0.018 | 0.012 | 52.690 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 411 | GLN | 0 | 0.049 | 0.025 | 53.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 412 | GLN | 0 | 0.011 | -0.011 | 52.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 413 | LYS | 1 | 0.951 | 0.983 | 46.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 414 | GLY | 0 | 0.043 | 0.016 | 48.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 415 | ALA | 0 | -0.019 | -0.001 | 48.632 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 416 | ILE | 0 | 0.046 | 0.033 | 46.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 417 | PRO | 0 | 0.006 | -0.011 | 50.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 418 | GLY | 0 | 0.002 | 0.010 | 52.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 419 | VAL | 0 | -0.028 | -0.006 | 48.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 420 | GLN | 0 | 0.013 | 0.008 | 51.940 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 421 | ILE | 0 | 0.025 | 0.018 | 47.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 422 | ALA | 0 | -0.006 | -0.005 | 49.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 423 | SER | 0 | -0.056 | -0.065 | 48.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 424 | LYS | 1 | 0.872 | 0.935 | 48.275 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 425 | THR | 0 | 0.014 | 0.013 | 47.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 426 | GLY | 0 | -0.012 | -0.020 | 48.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 427 | THR | 0 | -0.012 | 0.009 | 47.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 428 | ALA | 0 | 0.016 | 0.012 | 44.812 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 429 | GLU | -1 | -0.855 | -0.900 | 45.928 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 430 | HIS | 0 | -0.034 | -0.025 | 42.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 431 | GLY | 0 | 0.076 | 0.040 | 43.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 432 | THR | 0 | -0.001 | -0.017 | 43.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 433 | ASP | -1 | -0.846 | -0.928 | 46.204 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 434 | PRO | 0 | -0.010 | 0.017 | 48.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 435 | ARG | 1 | 0.859 | 0.925 | 49.167 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 436 | HIS | 1 | 0.819 | 0.904 | 50.875 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 437 | THR | 0 | -0.012 | 0.005 | 44.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 438 | PRO | 0 | 0.003 | -0.002 | 45.514 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 439 | PRO | 0 | 0.015 | 0.005 | 45.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 440 | HIS | 0 | 0.067 | 0.043 | 40.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 441 | ALA | 0 | -0.006 | 0.001 | 43.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 442 | TRP | 0 | -0.011 | -0.010 | 39.093 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 443 | TYR | 0 | -0.051 | -0.053 | 43.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 444 | ILE | 0 | -0.011 | 0.008 | 42.318 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 445 | ALA | 0 | 0.020 | 0.003 | 43.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 446 | PHE | 0 | -0.009 | -0.007 | 44.129 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 447 | ALA | 0 | 0.038 | 0.031 | 45.616 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 448 | PRO | 0 | 0.067 | 0.022 | 45.929 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 449 | ALA | 0 | -0.026 | -0.021 | 49.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 450 | GLN | 0 | -0.012 | -0.010 | 51.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 451 | ALA | 0 | -0.025 | -0.010 | 50.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 452 | PRO | 0 | -0.010 | 0.022 | 46.459 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 453 | LYS | 1 | 0.830 | 0.898 | 43.466 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 454 | VAL | 0 | 0.008 | 0.011 | 39.706 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 455 | ALA | 0 | 0.016 | 0.006 | 40.844 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 456 | VAL | 0 | -0.033 | -0.019 | 39.463 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 457 | ALA | 0 | -0.007 | 0.000 | 38.474 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 458 | VAL | 0 | -0.020 | -0.007 | 38.357 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 459 | LEU | 0 | -0.023 | 0.003 | 36.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 460 | VAL | 0 | 0.034 | 0.003 | 38.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 461 | GLU | -1 | -0.758 | -0.886 | 35.685 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 462 | ASN | 0 | -0.087 | -0.055 | 39.913 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 463 | GLY | 0 | 0.016 | 0.017 | 43.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 464 | ALA | 0 | -0.046 | -0.008 | 44.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 465 | ASP | -1 | -0.752 | -0.839 | 47.723 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 466 | ARG | 1 | 0.933 | 0.955 | 50.542 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 467 | LEU | 0 | -0.002 | 0.001 | 54.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 468 | SER | 0 | -0.067 | -0.062 | 52.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 469 | ALA | 0 | 0.032 | 0.005 | 55.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 470 | THR | 0 | -0.028 | -0.028 | 52.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 471 | GLY | 0 | 0.028 | 0.028 | 51.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 472 | GLY | 0 | 0.036 | 0.007 | 47.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 473 | ALA | 0 | -0.040 | -0.023 | 47.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 474 | LEU | 0 | 0.001 | 0.004 | 44.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 475 | ALA | 0 | 0.049 | 0.021 | 43.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 476 | ALA | 0 | 0.028 | 0.014 | 43.787 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 477 | PRO | 0 | -0.069 | -0.042 | 45.485 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 478 | ILE | 0 | 0.024 | 0.027 | 39.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 479 | GLY | 0 | 0.047 | 0.013 | 41.342 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 480 | ARG | 1 | 0.741 | 0.846 | 42.535 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 481 | ALA | 0 | 0.045 | 0.026 | 41.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 482 | VAL | 0 | -0.003 | 0.003 | 37.636 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 483 | ILE | 0 | 0.004 | -0.010 | 40.037 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 484 | GLU | -1 | -0.884 | -0.945 | 42.783 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 485 | ALA | 0 | 0.008 | 0.015 | 38.378 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 486 | ALA | 0 | -0.038 | -0.022 | 39.263 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 487 | LEU | 0 | -0.038 | -0.025 | 40.208 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 488 | GLN | 0 | -0.082 | -0.029 | 41.349 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |