FMODB ID: G6621
Calculation Name: 5CCF-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5CCF
Chain ID: A
UniProt ID: Q8VDL4
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 445 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8020708.664041 |
---|---|
FMO2-HF: Nuclear repulsion | 7850338.370297 |
FMO2-HF: Total energy | -170370.293744 |
FMO2-MP2: Total energy | -170870.764547 |
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:48:LYS)
Summations of interaction energy for
fragment #1(A:48:LYS)
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. |
-145.242 | -141.852 | 0.086 | -1.853 | -1.623 | 0.001 |
Interaction energy analysis for fragmet #1(A:48:LYS)
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 | 50 | ALA | 0 | -0.007 | -0.008 | 3.119 | -7.848 | -4.458 | 0.086 | -1.853 | -1.623 | 0.001 |
4 | A | 51 | LEU | 0 | 0.025 | 0.015 | 5.022 | 1.812 | 1.812 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 52 | SER | 0 | 0.043 | 0.031 | 7.131 | 0.737 | 0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 53 | PRO | 0 | 0.033 | -0.002 | 10.909 | -1.253 | -1.253 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 54 | GLU | -1 | -0.766 | -0.884 | 13.546 | -18.257 | -18.257 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 55 | SER | 0 | -0.013 | -0.026 | 9.850 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 56 | ARG | 1 | 0.765 | 0.853 | 9.494 | 24.534 | 24.534 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 57 | LEU | 0 | 0.018 | 0.012 | 11.239 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 58 | ALA | 0 | 0.015 | 0.002 | 13.901 | 0.710 | 0.710 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 59 | ALA | 0 | -0.016 | 0.001 | 10.322 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 60 | ALA | 0 | -0.019 | -0.008 | 12.360 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 61 | TRP | 0 | -0.017 | -0.018 | 14.215 | 0.867 | 0.867 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 62 | ASP | -1 | -0.874 | -0.924 | 14.697 | -17.406 | -17.406 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 63 | ALA | 0 | -0.080 | -0.022 | 13.742 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 64 | LEU | 0 | -0.049 | -0.017 | 15.841 | 0.782 | 0.782 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 65 | ILE | 0 | -0.032 | -0.016 | 18.977 | 0.916 | 0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 66 | ALA | 0 | 0.018 | 0.009 | 21.070 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 67 | GLN | 0 | 0.024 | 0.006 | 23.739 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 68 | PRO | 0 | 0.022 | 0.035 | 27.498 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 69 | ALA | 0 | -0.025 | -0.014 | 29.988 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 70 | ARG | 1 | 0.793 | 0.892 | 31.683 | 8.493 | 8.493 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 71 | ARG | 1 | 0.915 | 0.956 | 28.564 | 10.370 | 10.370 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 72 | TRP | 0 | -0.016 | -0.008 | 34.421 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 73 | ARG | 1 | 0.919 | 0.959 | 37.028 | 7.805 | 7.805 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 74 | ARG | 1 | 0.806 | 0.900 | 39.689 | 7.170 | 7.170 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 75 | VAL | 0 | 0.009 | 0.016 | 38.680 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 76 | ALA | 0 | 0.002 | 0.009 | 41.662 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 77 | VAL | 0 | -0.022 | -0.014 | 40.812 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 78 | GLY | 0 | 0.090 | 0.053 | 44.184 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 79 | VAL | 0 | 0.005 | -0.008 | 46.147 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 80 | ASN | 0 | -0.044 | -0.046 | 44.737 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 81 | ALA | 0 | -0.032 | -0.022 | 45.283 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 82 | CYS | 0 | -0.019 | 0.010 | 45.299 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 83 | VAL | 0 | 0.047 | 0.033 | 44.647 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 84 | ASP | -1 | -0.794 | -0.878 | 41.649 | -7.388 | -7.388 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 85 | VAL | 0 | -0.004 | -0.010 | 43.348 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 86 | VAL | 0 | -0.039 | -0.003 | 40.159 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 87 | ILE | 0 | 0.006 | 0.004 | 43.163 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 88 | SER | 0 | -0.005 | 0.007 | 44.528 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 89 | GLY | 0 | 0.067 | 0.007 | 45.724 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 90 | VAL | 0 | -0.013 | 0.000 | 48.599 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 91 | LYS | 1 | 0.952 | 0.974 | 45.019 | 6.838 | 6.838 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 92 | LEU | 0 | 0.055 | 0.049 | 49.903 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 93 | LEU | 0 | 0.029 | 0.004 | 51.514 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 94 | GLN | 0 | -0.033 | -0.029 | 51.663 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 95 | ALA | 0 | -0.021 | -0.005 | 52.646 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 96 | LEU | 0 | -0.059 | -0.018 | 54.726 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 97 | GLY | 0 | -0.036 | -0.010 | 57.557 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 98 | LEU | 0 | -0.071 | -0.019 | 57.331 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 99 | SER | 0 | -0.023 | -0.024 | 58.314 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 100 | PRO | 0 | -0.035 | -0.009 | 56.721 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 101 | GLY | 0 | 0.038 | 0.024 | 58.671 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 102 | SER | 0 | -0.055 | -0.039 | 60.232 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 103 | GLY | 0 | 0.039 | 0.021 | 57.231 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 104 | LYS | 1 | 0.767 | 0.841 | 57.970 | 5.084 | 5.084 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 105 | ASP | -1 | -0.804 | -0.883 | 56.445 | -5.700 | -5.700 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 106 | HIS | 1 | 0.788 | 0.878 | 58.127 | 5.318 | 5.318 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 107 | ALA | 0 | 0.018 | 0.009 | 58.281 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 108 | ILE | 0 | -0.008 | 0.001 | 58.460 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 109 | LEU | 0 | -0.016 | 0.000 | 55.178 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 110 | HIS | 1 | 0.885 | 0.928 | 59.780 | 5.018 | 5.018 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 111 | SER | 0 | 0.033 | -0.005 | 61.783 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 112 | ARG | 1 | 0.960 | 0.958 | 59.579 | 5.154 | 5.154 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 113 | SER | 0 | 0.019 | 0.033 | 59.611 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 114 | ASP | -1 | -0.821 | -0.895 | 60.478 | -5.129 | -5.129 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 115 | LEU | 0 | 0.010 | 0.013 | 53.637 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 116 | GLU | -1 | -0.815 | -0.918 | 55.893 | -5.458 | -5.458 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 117 | GLU | -1 | -0.813 | -0.873 | 56.367 | -5.125 | -5.125 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 118 | ALA | 0 | 0.031 | 0.010 | 55.609 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 119 | PHE | 0 | 0.025 | 0.020 | 48.516 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 120 | LEU | 0 | -0.013 | 0.001 | 52.102 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 121 | TYR | 0 | -0.054 | -0.029 | 53.426 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 122 | PHE | 0 | -0.047 | -0.030 | 49.695 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 123 | MET | 0 | 0.013 | 0.021 | 48.074 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 124 | GLY | 0 | -0.019 | -0.014 | 48.885 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 125 | LYS | 1 | 0.869 | 0.930 | 49.680 | 5.849 | 5.849 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 126 | GLY | 0 | 0.003 | 0.025 | 45.740 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 127 | ALA | 0 | -0.044 | -0.019 | 44.801 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 128 | ALA | 0 | 0.030 | 0.023 | 44.253 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 129 | ALA | 0 | -0.056 | -0.032 | 46.281 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 130 | GLU | -1 | -0.810 | -0.903 | 46.962 | -6.888 | -6.888 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 131 | ARG | 1 | 0.768 | 0.861 | 50.490 | 5.978 | 5.978 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 132 | PHE | 0 | 0.078 | 0.055 | 53.411 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 133 | PHE | 0 | -0.010 | -0.016 | 56.049 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 134 | SER | 0 | 0.033 | 0.011 | 57.923 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 135 | ASP | -1 | -0.913 | -0.930 | 61.308 | -4.968 | -4.968 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 136 | LYS | 1 | 0.924 | 0.958 | 59.756 | 5.245 | 5.245 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 137 | GLU | -1 | -0.869 | -0.943 | 60.241 | -5.151 | -5.151 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 138 | THR | 0 | -0.062 | -0.056 | 60.366 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 139 | PHE | 0 | -0.023 | -0.028 | 52.463 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 140 | HIS | 0 | 0.010 | 0.024 | 56.390 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 141 | ASP | -1 | -0.807 | -0.896 | 56.614 | -5.294 | -5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 142 | ILE | 0 | -0.082 | -0.049 | 54.126 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 143 | ALA | 0 | 0.011 | 0.004 | 52.362 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 144 | GLN | 0 | -0.035 | -0.019 | 51.892 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 145 | ALA | 0 | -0.013 | -0.007 | 52.909 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 146 | ALA | 0 | -0.044 | -0.038 | 49.397 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 147 | SER | 0 | 0.023 | 0.002 | 48.036 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 148 | GLU | -1 | -0.897 | -0.931 | 48.111 | -6.005 | -6.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 149 | PHE | 0 | -0.054 | -0.008 | 46.755 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 150 | PRO | 0 | 0.010 | -0.015 | 46.512 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 151 | GLY | 0 | -0.041 | -0.021 | 42.333 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 152 | ALA | 0 | -0.028 | 0.002 | 41.961 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 153 | GLN | 0 | -0.060 | -0.020 | 37.974 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 154 | HIS | 0 | 0.002 | -0.012 | 41.200 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 155 | TYR | 0 | -0.035 | -0.027 | 36.262 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 156 | VAL | 0 | 0.050 | 0.035 | 39.187 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 157 | GLY | 0 | 0.036 | 0.020 | 40.006 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 158 | GLY | 0 | 0.041 | 0.009 | 42.333 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 159 | ASN | 0 | -0.018 | -0.030 | 40.260 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 160 | ALA | 0 | 0.010 | 0.019 | 40.463 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 161 | ALA | 0 | 0.063 | 0.026 | 41.618 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 162 | LEU | 0 | -0.045 | -0.014 | 36.799 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 163 | ILE | 0 | -0.026 | -0.014 | 36.980 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 164 | GLY | 0 | 0.000 | -0.004 | 37.186 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 165 | GLN | 0 | 0.070 | 0.035 | 36.113 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 166 | ARG | 1 | 0.805 | 0.886 | 27.365 | 10.640 | 10.640 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 167 | PHE | 0 | -0.032 | -0.039 | 33.289 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 168 | ALA | 0 | 0.034 | 0.012 | 35.071 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 169 | ALA | 0 | 0.007 | 0.024 | 31.145 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 170 | ASN | 0 | -0.117 | -0.048 | 30.307 | -0.575 | -0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 171 | THR | 0 | 0.080 | 0.027 | 32.818 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 172 | ASP | -1 | -1.018 | -1.000 | 32.884 | -9.342 | -9.342 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 173 | LEU | 0 | -0.093 | -0.036 | 35.504 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 174 | LYS | 1 | 0.864 | 0.922 | 37.197 | 7.468 | 7.468 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 175 | VAL | 0 | 0.023 | 0.006 | 38.674 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 176 | LEU | 0 | -0.021 | 0.013 | 41.710 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 177 | LEU | 0 | -0.011 | -0.012 | 42.829 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 178 | CYS | 0 | -0.027 | 0.002 | 45.635 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 179 | GLY | 0 | 0.022 | -0.008 | 47.950 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 180 | PRO | 0 | -0.053 | -0.022 | 49.599 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 181 | ILE | 0 | -0.006 | 0.009 | 47.029 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 182 | GLY | 0 | 0.052 | 0.047 | 50.053 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 183 | PRO | 0 | -0.015 | -0.018 | 49.832 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 184 | LYS | 1 | 0.808 | 0.890 | 45.367 | 6.804 | 6.804 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 185 | LEU | 0 | -0.002 | -0.017 | 43.939 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 186 | HIS | 0 | -0.004 | -0.017 | 44.867 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 187 | GLU | -1 | -0.884 | -0.912 | 44.667 | -7.063 | -7.063 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 188 | LEU | 0 | -0.059 | -0.034 | 41.168 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 189 | LEU | 0 | -0.057 | -0.020 | 40.439 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 190 | ASP | -1 | -0.839 | -0.904 | 36.384 | -8.592 | -8.592 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 191 | ASP | -1 | -0.859 | -0.933 | 39.453 | -7.529 | -7.529 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 192 | ASN | 0 | -0.152 | -0.088 | 37.479 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 193 | VAL | 0 | -0.030 | 0.000 | 40.129 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 194 | PHE | 0 | -0.056 | -0.025 | 42.426 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 195 | VAL | 0 | 0.050 | 0.021 | 46.007 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 196 | PRO | 0 | 0.002 | -0.002 | 48.543 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 197 | PRO | 0 | 0.029 | 0.003 | 51.953 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 198 | GLU | -1 | -0.905 | -0.957 | 54.619 | -5.697 | -5.697 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 199 | SER | 0 | -0.054 | -0.041 | 51.491 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 200 | LEU | 0 | -0.030 | 0.007 | 50.216 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 201 | GLN | 0 | -0.075 | -0.046 | 53.670 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 202 | GLU | -1 | -0.968 | -0.991 | 54.838 | -5.352 | -5.352 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 203 | GLU | -1 | -0.836 | -0.910 | 55.292 | -5.516 | -5.516 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 204 | ASP | -1 | -0.797 | -0.902 | 49.636 | -6.451 | -6.451 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 205 | GLU | -1 | -0.806 | -0.875 | 50.306 | -5.823 | -5.823 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 206 | PHE | 0 | 0.019 | -0.001 | 48.633 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 207 | HIS | 0 | -0.070 | -0.061 | 46.539 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 208 | LEU | 0 | -0.018 | -0.004 | 46.900 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 209 | ILE | 0 | 0.004 | -0.009 | 42.407 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 210 | LEU | 0 | -0.019 | -0.007 | 45.256 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 211 | GLU | -1 | -0.916 | -0.968 | 40.081 | -7.840 | -7.840 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 212 | TYR | 0 | -0.022 | -0.015 | 43.570 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 213 | LEU | 0 | 0.021 | 0.005 | 38.844 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 214 | ALA | 0 | 0.005 | -0.008 | 39.992 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 215 | GLY | 0 | -0.028 | -0.021 | 41.743 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 216 | GLU | -1 | -0.854 | -0.911 | 44.235 | -6.815 | -6.815 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 217 | GLU | -1 | -0.843 | -0.915 | 45.800 | -6.199 | -6.199 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 218 | TRP | 0 | 0.006 | -0.006 | 49.476 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 219 | GLY | 0 | 0.016 | 0.007 | 52.556 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 220 | PRO | 0 | -0.044 | -0.020 | 54.392 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 221 | PHE | 0 | -0.025 | 0.002 | 52.727 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 222 | LYS | 1 | 0.824 | 0.868 | 46.221 | 6.505 | 6.505 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 223 | ALA | 0 | 0.003 | 0.030 | 45.764 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 224 | PRO | 0 | -0.029 | -0.002 | 45.561 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 225 | HIS | 0 | -0.062 | -0.045 | 41.616 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 226 | ALA | 0 | 0.010 | 0.007 | 39.091 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 227 | ASN | 0 | -0.030 | -0.025 | 41.071 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 228 | ARG | 1 | 0.870 | 0.942 | 42.165 | 7.142 | 7.142 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 229 | PHE | 0 | -0.002 | 0.000 | 44.651 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 230 | ILE | 0 | 0.019 | 0.017 | 43.973 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 231 | PHE | 0 | -0.006 | -0.020 | 48.480 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 232 | SER | 0 | 0.046 | 0.030 | 50.761 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 233 | HIS | 0 | -0.059 | -0.050 | 52.800 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 234 | ASP | -1 | -0.703 | -0.811 | 50.829 | -6.210 | -6.210 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 235 | LEU | 0 | -0.028 | -0.024 | 54.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 236 | SER | 0 | -0.059 | -0.042 | 53.679 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 237 | ASN | 0 | -0.004 | -0.049 | 49.563 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 238 | GLY | 0 | -0.022 | 0.009 | 52.020 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 239 | ALA | 0 | -0.012 | -0.015 | 54.168 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 240 | MET | 0 | 0.013 | 0.007 | 50.656 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 241 | ASN | 0 | 0.002 | -0.015 | 54.019 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 242 | MET | 0 | 0.022 | 0.038 | 52.261 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 243 | LEU | 0 | -0.030 | -0.004 | 52.330 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 244 | GLU | -1 | -0.841 | -0.916 | 54.095 | -5.405 | -5.405 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 245 | VAL | 0 | 0.026 | 0.030 | 53.743 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 246 | PHE | 0 | 0.017 | -0.005 | 46.722 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 247 | VAL | 0 | 0.008 | 0.006 | 52.158 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 248 | SER | 0 | -0.037 | -0.044 | 53.862 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 249 | SER | 0 | -0.059 | -0.025 | 51.457 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 250 | LEU | 0 | -0.020 | -0.015 | 48.667 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 251 | GLU | -1 | -0.962 | -0.983 | 50.933 | -5.733 | -5.733 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 252 | GLU | -1 | -0.962 | -0.985 | 52.725 | -5.963 | -5.963 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 253 | PHE | 0 | -0.006 | -0.008 | 43.997 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 254 | GLN | 0 | -0.036 | -0.007 | 47.873 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 255 | PRO | 0 | -0.006 | 0.012 | 45.025 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 256 | ASP | -1 | -0.786 | -0.894 | 41.142 | -7.553 | -7.553 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 257 | LEU | 0 | -0.050 | -0.018 | 38.007 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 258 | VAL | 0 | 0.027 | 0.024 | 42.147 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 259 | VAL | 0 | -0.033 | -0.025 | 39.644 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 260 | LEU | 0 | 0.023 | 0.013 | 43.020 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 261 | SER | 0 | -0.026 | -0.048 | 43.114 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 262 | GLY | 0 | 0.034 | 0.015 | 45.262 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 263 | LEU | 0 | 0.021 | 0.004 | 47.706 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 264 | HIS | 0 | 0.015 | -0.002 | 44.653 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 265 | MET | 0 | -0.006 | 0.020 | 48.010 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 266 | MET | 0 | 0.014 | 0.031 | 50.455 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 267 | GLU | -1 | -0.781 | -0.848 | 50.985 | -6.164 | -6.164 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 268 | GLY | 0 | -0.025 | -0.012 | 53.813 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 269 | GLN | 0 | -0.039 | -0.001 | 56.561 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 270 | SER | 0 | -0.013 | -0.017 | 58.956 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 271 | LYS | 1 | 0.939 | 0.955 | 59.402 | 5.320 | 5.320 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 272 | GLU | -1 | -0.797 | -0.859 | 61.156 | -5.005 | -5.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 273 | LEU | 0 | -0.031 | -0.002 | 58.361 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 274 | GLN | 0 | 0.033 | -0.020 | 56.281 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 275 | ARG | 1 | 0.803 | 0.871 | 57.660 | 4.973 | 4.973 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 276 | LYS | 1 | 0.853 | 0.915 | 59.800 | 5.182 | 5.182 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 277 | ARG | 1 | 0.825 | 0.883 | 55.617 | 5.552 | 5.552 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 278 | LEU | 0 | -0.002 | -0.003 | 53.165 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 279 | LEU | 0 | 0.012 | 0.012 | 55.722 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 280 | GLU | -1 | -0.789 | -0.863 | 57.215 | -5.450 | -5.450 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 281 | VAL | 0 | -0.007 | -0.002 | 51.171 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 282 | VAL | 0 | -0.009 | -0.007 | 53.409 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 283 | THR | 0 | -0.047 | -0.032 | 54.756 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 284 | ALA | 0 | 0.036 | 0.022 | 53.760 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 285 | ILE | 0 | -0.030 | -0.025 | 49.331 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 286 | SER | 0 | -0.076 | -0.038 | 52.235 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 287 | ASP | -1 | -0.933 | -0.959 | 54.779 | -5.518 | -5.518 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 288 | ILE | 0 | -0.067 | -0.014 | 48.661 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 289 | PRO | 0 | -0.020 | -0.010 | 50.060 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 290 | THR | 0 | 0.042 | 0.007 | 49.618 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 291 | GLY | 0 | -0.049 | -0.035 | 46.226 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 292 | ILE | 0 | -0.035 | 0.009 | 44.544 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 293 | PRO | 0 | -0.036 | -0.015 | 40.549 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 294 | VAL | 0 | 0.069 | 0.027 | 43.321 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 295 | HIS | 0 | -0.001 | 0.005 | 37.722 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 296 | LEU | 0 | 0.007 | 0.009 | 42.014 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 297 | GLU | -1 | -0.756 | -0.859 | 37.941 | -8.636 | -8.636 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 298 | LEU | 0 | -0.023 | -0.010 | 41.575 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 299 | ALA | 0 | 0.000 | -0.009 | 41.444 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 300 | SER | 0 | -0.028 | -0.027 | 42.864 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 301 | MET | 0 | -0.005 | 0.020 | 44.870 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 302 | THR | 0 | -0.063 | -0.064 | 47.404 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 303 | ASN | 0 | -0.043 | -0.020 | 50.167 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 304 | ARG | 1 | 1.025 | 0.992 | 52.531 | 5.647 | 5.647 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 305 | GLU | -1 | -0.876 | -0.919 | 53.803 | -5.537 | -5.537 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 306 | LEU | 0 | 0.019 | 0.022 | 52.521 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 307 | MET | 0 | 0.045 | 0.036 | 46.212 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 308 | SER | 0 | -0.023 | -0.033 | 51.321 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 309 | SER | 0 | -0.077 | -0.039 | 53.697 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 310 | ILE | 0 | 0.006 | 0.001 | 48.679 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 311 | VAL | 0 | -0.018 | 0.004 | 48.431 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 312 | HIS | 0 | -0.033 | -0.028 | 50.663 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 313 | GLN | 0 | -0.050 | -0.033 | 53.933 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 314 | VAL | 0 | 0.024 | 0.013 | 48.807 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 315 | PHE | 0 | 0.018 | 0.000 | 45.606 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 316 | PRO | 0 | -0.009 | 0.001 | 47.770 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 317 | ALA | 0 | 0.027 | 0.019 | 49.915 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 318 | VAL | 0 | -0.025 | 0.004 | 44.934 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 319 | ALA | 0 | 0.014 | 0.010 | 42.411 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 320 | SER | 0 | -0.082 | -0.073 | 38.631 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 321 | LEU | 0 | 0.035 | 0.036 | 39.947 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 322 | GLY | 0 | 0.007 | 0.004 | 37.808 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 323 | LEU | 0 | -0.006 | 0.009 | 37.459 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 324 | ASN | 0 | 0.067 | 0.028 | 36.383 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 325 | GLU | -1 | -0.747 | -0.871 | 35.611 | -8.641 | -8.641 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 326 | GLN | 0 | -0.055 | -0.023 | 37.986 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 327 | GLU | -1 | -0.768 | -0.891 | 41.147 | -7.347 | -7.347 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 328 | LEU | 0 | -0.047 | -0.004 | 38.178 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 329 | LEU | 0 | -0.007 | -0.006 | 41.720 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 330 | PHE | 0 | 0.011 | 0.013 | 43.341 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 331 | LEU | 0 | 0.005 | -0.011 | 43.696 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 332 | SER | 0 | -0.002 | -0.008 | 44.792 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 333 | GLN | 0 | -0.099 | -0.060 | 46.761 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 334 | SER | 0 | -0.063 | -0.018 | 49.307 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 335 | ALA | 0 | -0.046 | -0.023 | 50.544 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 336 | SER | 0 | -0.046 | -0.031 | 51.278 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 337 | GLY | 0 | 0.056 | 0.047 | 47.371 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 338 | PRO | 0 | -0.036 | -0.031 | 43.701 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 339 | HIS | 0 | -0.009 | -0.006 | 41.354 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 340 | SER | 0 | -0.034 | 0.000 | 45.337 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 341 | SER | 0 | -0.024 | -0.028 | 47.879 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 342 | LEU | 0 | -0.045 | 0.003 | 41.136 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 343 | SER | 0 | 0.002 | 0.014 | 45.725 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 344 | SER | 0 | 0.034 | -0.006 | 41.657 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 345 | TRP | 0 | -0.016 | -0.020 | 37.688 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 346 | ASP | -1 | -0.939 | -0.961 | 38.622 | -7.988 | -7.988 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 347 | GLY | 0 | 0.006 | 0.006 | 34.710 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 348 | VAL | 0 | -0.065 | -0.043 | 29.442 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 349 | PRO | 0 | 0.040 | 0.027 | 32.816 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 350 | ASP | -1 | -0.807 | -0.893 | 33.344 | -9.493 | -9.493 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 351 | VAL | 0 | 0.003 | 0.008 | 29.790 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 352 | GLY | 0 | 0.042 | 0.043 | 33.222 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 353 | MET | 0 | -0.044 | -0.028 | 35.686 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 354 | VAL | 0 | 0.007 | 0.006 | 34.617 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 355 | SER | 0 | -0.019 | -0.035 | 34.389 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 356 | ASP | -1 | -0.709 | -0.821 | 36.684 | -7.990 | -7.990 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 357 | ILE | 0 | -0.025 | -0.004 | 40.168 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 358 | LEU | 0 | 0.028 | 0.004 | 35.779 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 359 | PHE | 0 | -0.004 | -0.003 | 39.442 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 360 | TRP | 0 | 0.040 | 0.019 | 40.777 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 361 | ILE | 0 | 0.014 | 0.023 | 42.101 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 362 | LEU | 0 | -0.010 | -0.009 | 39.032 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 363 | LYS | 1 | 0.784 | 0.891 | 43.045 | 7.426 | 7.426 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 364 | GLU | -1 | -0.967 | -0.984 | 45.964 | -6.224 | -6.224 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 365 | HIS | 0 | -0.026 | -0.023 | 47.212 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 366 | GLY | 0 | 0.039 | 0.052 | 45.115 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 367 | ARG | 1 | 0.787 | 0.889 | 45.324 | 7.049 | 7.049 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 368 | SER | 0 | -0.048 | -0.036 | 46.638 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 369 | GLU | -1 | -0.881 | -0.933 | 49.233 | -6.159 | -6.159 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 370 | ASN | 0 | -0.101 | -0.073 | 51.761 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 371 | ARG | 1 | 0.859 | 0.932 | 48.663 | 6.558 | 6.558 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 372 | SER | 0 | -0.036 | -0.016 | 52.346 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 373 | SER | 0 | -0.014 | -0.004 | 48.254 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 374 | ASP | -1 | -0.810 | -0.916 | 46.809 | -6.682 | -6.682 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 375 | LEU | 0 | -0.055 | 0.011 | 42.409 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 376 | THR | 0 | -0.029 | -0.033 | 40.789 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 377 | ARG | 1 | 0.865 | 0.936 | 32.960 | 8.934 | 8.934 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 378 | ILE | 0 | 0.044 | 0.021 | 37.155 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 379 | HIS | 0 | -0.023 | -0.013 | 30.464 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 380 | PHE | 0 | -0.002 | -0.003 | 32.962 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 381 | HIS | 0 | -0.025 | -0.014 | 31.721 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 382 | THR | 0 | 0.008 | -0.020 | 31.110 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 383 | LEU | 0 | -0.032 | -0.019 | 30.093 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 384 | VAL | 0 | -0.004 | -0.023 | 26.456 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 385 | TYR | 0 | -0.057 | -0.061 | 25.993 | -0.583 | -0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 386 | HIS | 0 | 0.048 | 0.049 | 27.481 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 387 | ILE | 0 | -0.057 | -0.041 | 28.487 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 388 | LEU | 0 | -0.026 | 0.001 | 30.092 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 389 | ALA | 0 | 0.005 | 0.014 | 32.065 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 390 | THR | 0 | 0.015 | -0.009 | 34.481 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 391 | VAL | 0 | 0.024 | 0.015 | 36.608 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 392 | ASP | -1 | -0.849 | -0.910 | 36.682 | -8.750 | -8.750 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 393 | GLY | 0 | -0.026 | -0.022 | 37.312 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 394 | HIS | 0 | 0.005 | 0.007 | 38.457 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 395 | TRP | 0 | 0.018 | -0.005 | 34.873 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 396 | ALA | 0 | -0.038 | -0.014 | 32.101 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 397 | ASN | 0 | -0.047 | -0.043 | 27.027 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 398 | GLN | 0 | 0.046 | 0.004 | 28.289 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 399 | LEU | 0 | 0.029 | 0.025 | 23.981 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 400 | ALA | 0 | 0.039 | 0.011 | 23.557 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 401 | ALA | 0 | 0.016 | 0.017 | 24.580 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 402 | VAL | 0 | 0.004 | 0.002 | 25.634 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 403 | ALA | 0 | -0.022 | -0.008 | 21.541 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 404 | ALA | 0 | -0.013 | -0.007 | 23.369 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 405 | GLY | 0 | 0.050 | 0.017 | 24.933 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 406 | ALA | 0 | -0.033 | -0.025 | 23.876 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 407 | ARG | 1 | 0.887 | 0.928 | 19.306 | 14.856 | 14.856 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 408 | VAL | 0 | 0.020 | 0.018 | 22.829 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 409 | ALA | 0 | 0.000 | 0.001 | 25.809 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 410 | GLY | 0 | 0.024 | 0.017 | 22.588 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 411 | THR | 0 | -0.044 | -0.030 | 21.336 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 412 | GLN | 0 | 0.057 | 0.020 | 23.743 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 413 | ALA | 0 | -0.020 | -0.001 | 26.346 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 414 | CYS | 0 | -0.064 | -0.033 | 22.900 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 415 | ALA | 0 | 0.024 | 0.035 | 25.448 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 416 | THR | 0 | -0.082 | -0.052 | 21.356 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 417 | GLU | -1 | -0.860 | -0.931 | 22.392 | -11.857 | -11.857 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 418 | THR | 0 | -0.037 | -0.017 | 17.441 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 419 | ILE | 0 | -0.012 | -0.003 | 16.445 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 420 | ASP | -1 | -0.782 | -0.876 | 16.380 | -17.576 | -17.576 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 421 | THR | 0 | -0.032 | -0.037 | 12.130 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 422 | ASN | 0 | -0.063 | -0.029 | 14.291 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 423 | ARG | 1 | 0.832 | 0.903 | 16.460 | 13.269 | 13.269 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 424 | VAL | 0 | 0.006 | 0.027 | 17.562 | 0.673 | 0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 425 | SER | 0 | -0.048 | -0.015 | 18.674 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 426 | LEU | 0 | 0.012 | 0.004 | 18.150 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 427 | ARG | 1 | 0.917 | 0.947 | 20.563 | 12.187 | 12.187 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 428 | ALA | 0 | 0.023 | 0.033 | 23.672 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 429 | PRO | 0 | -0.002 | 0.003 | 24.442 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 430 | GLN | 0 | 0.026 | -0.007 | 20.597 | -0.683 | -0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 431 | GLU | -1 | -0.848 | -0.904 | 24.049 | -11.717 | -11.717 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 432 | PHE | 0 | -0.010 | -0.007 | 25.886 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 433 | THR | 0 | 0.013 | -0.002 | 30.148 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 434 | THR | 0 | -0.002 | -0.002 | 30.899 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 435 | SER | 0 | -0.069 | -0.058 | 33.423 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 436 | HIS | 0 | -0.037 | -0.007 | 37.155 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 437 | LEU | 0 | -0.015 | -0.002 | 39.140 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 438 | GLU | -1 | -0.862 | -0.907 | 40.549 | -7.488 | -7.488 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 439 | SER | 0 | -0.008 | -0.006 | 38.741 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 440 | GLY | 0 | 0.015 | 0.006 | 35.903 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 441 | SER | 0 | -0.040 | -0.024 | 30.688 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 442 | ARG | 1 | 0.830 | 0.904 | 29.313 | 10.409 | 10.409 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 443 | ILE | 0 | -0.015 | -0.002 | 25.164 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 444 | VAL | 0 | 0.021 | 0.000 | 22.172 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 445 | LEU | 0 | -0.033 | -0.007 | 20.752 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 446 | ASN | 0 | 0.026 | 0.005 | 15.586 | -1.292 | -1.292 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 447 | PRO | 0 | -0.025 | -0.025 | 14.058 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 448 | ASP | -1 | -0.781 | -0.851 | 11.158 | -26.924 | -26.924 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 449 | LYS | 1 | 0.845 | 0.928 | 13.746 | 14.533 | 14.533 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 450 | PRO | 0 | 0.016 | 0.012 | 16.381 | 0.938 | 0.938 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 451 | VAL | 0 | 0.009 | 0.012 | 19.295 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 452 | VAL | 0 | -0.099 | -0.054 | 22.299 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 453 | GLU | -1 | -0.851 | -0.924 | 24.718 | -10.823 | -10.823 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 454 | TRP | 0 | -0.034 | -0.026 | 27.799 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 455 | HIS | 0 | 0.010 | 0.015 | 30.487 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 456 | ARG | 1 | 0.755 | 0.845 | 34.510 | 8.169 | 8.169 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 457 | GLU | -1 | -0.870 | -0.925 | 37.947 | -7.134 | -7.134 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 458 | GLY | 0 | 0.027 | 0.022 | 39.585 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 459 | ILE | 0 | 0.008 | 0.008 | 37.134 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 460 | THR | 0 | -0.023 | -0.030 | 31.603 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 461 | PHE | 0 | -0.032 | -0.014 | 32.136 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 462 | HIS | 0 | 0.005 | -0.022 | 27.626 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 463 | PHE | 0 | 0.000 | 0.009 | 24.590 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 464 | THR | 0 | 0.055 | 0.010 | 22.548 | -0.809 | -0.809 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 465 | PRO | 0 | -0.020 | -0.002 | 21.136 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 466 | VAL | 0 | 0.037 | 0.021 | 23.097 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 467 | LEU | 0 | -0.047 | -0.021 | 17.070 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 468 | VAL | 0 | -0.002 | -0.006 | 21.233 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 470 | LYS | 1 | 0.757 | 0.855 | 18.445 | 15.623 | 15.623 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 471 | ASP | -1 | -0.864 | -0.918 | 23.729 | -12.091 | -12.091 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 472 | PRO | 0 | -0.003 | -0.006 | 26.557 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 473 | VAL | 0 | 0.007 | 0.013 | 28.552 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 474 | ARG | 1 | 0.899 | 0.918 | 31.019 | 8.550 | 8.550 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 475 | THR | 0 | -0.031 | -0.012 | 30.237 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 476 | VAL | 0 | -0.001 | 0.001 | 32.937 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 477 | GLY | 0 | 0.067 | 0.033 | 35.746 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 478 | LEU | 0 | -0.070 | -0.028 | 28.842 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 479 | GLY | 0 | 0.040 | 0.005 | 32.485 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 480 | ASP | -1 | -0.796 | -0.882 | 34.500 | -8.321 | -8.321 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 481 | ALA | 0 | 0.029 | 0.009 | 31.341 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 482 | ILE | 0 | -0.031 | -0.017 | 29.205 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 483 | SER | 0 | -0.019 | -0.040 | 31.259 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 484 | ALA | 0 | -0.008 | 0.016 | 33.913 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 485 | GLU | -1 | -0.827 | -0.890 | 27.363 | -11.270 | -11.270 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 486 | GLY | 0 | 0.004 | -0.012 | 30.085 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 487 | LEU | 0 | -0.037 | 0.005 | 31.059 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 488 | PHE | 0 | 0.010 | 0.017 | 29.355 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 489 | TYR | 0 | -0.029 | -0.021 | 25.131 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 490 | SER | 0 | -0.039 | -0.030 | 29.901 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 491 | GLU | -1 | -0.788 | -0.872 | 32.515 | -9.050 | -9.050 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 492 | ALA | 0 | 0.067 | 0.050 | 34.756 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 493 | ARG | 1 | 0.834 | 0.901 | 35.497 | 8.922 | 8.922 | 0.000 | 0.000 | 0.000 | 0.000 |