FMODB ID: 3QLRL
Calculation Name: 3K8P-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3K8P
Chain ID: D
UniProt ID: Q12745
Base Structure: X-ray
Registration Date: 2023-06-19
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 | 597 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10930495.460241 |
---|---|
FMO2-HF: Nuclear repulsion | 10685424.931864 |
FMO2-HF: Total energy | -245070.528377 |
FMO2-MP2: Total energy | -245787.168094 |
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(D:30:GLY)
Summations of interaction energy for
fragment #1(D:30:GLY)
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. |
6.074 | 3.974 | 6.167 | -0.952 | -3.115 | -0.017 |
Interaction energy analysis for fragmet #1(D:30:GLY)
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 | D | 32 | GLN | 0 | 0.047 | 0.025 | 2.527 | 6.897 | 4.198 | 5.978 | -0.667 | -2.612 | -0.016 |
4 | D | 33 | SER | 0 | 0.070 | 0.049 | 4.367 | 0.850 | 0.909 | -0.001 | -0.005 | -0.053 | 0.000 |
5 | D | 34 | LYS | 1 | 0.914 | 0.956 | 2.786 | -2.652 | -2.174 | 0.191 | -0.255 | -0.414 | -0.001 |
6 | D | 35 | TYR | 0 | -0.007 | 0.000 | 4.371 | 0.119 | 0.181 | -0.001 | -0.025 | -0.036 | 0.000 |
7 | D | 36 | LEU | 0 | 0.042 | 0.019 | 5.708 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 37 | GLU | -1 | -0.795 | -0.910 | 7.829 | 1.198 | 1.198 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 38 | ILE | 0 | -0.040 | -0.021 | 7.921 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 39 | LEU | 0 | -0.015 | -0.005 | 9.560 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 40 | CYS | 0 | -0.084 | -0.001 | 11.988 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 41 | VAL | 0 | -0.010 | -0.001 | 13.787 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 42 | LEU | 0 | -0.031 | -0.026 | 12.567 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 43 | TRP | 0 | -0.027 | -0.012 | 14.507 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 44 | PRO | 0 | 0.027 | 0.008 | 17.172 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 45 | GLU | -1 | -0.833 | -0.924 | 20.973 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 46 | LEU | 0 | -0.036 | -0.026 | 22.472 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 47 | ASP | -1 | -0.827 | -0.871 | 21.437 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 48 | ASP | -1 | -0.793 | -0.875 | 23.729 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 49 | PRO | 0 | 0.008 | -0.003 | 21.926 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 50 | LYS | 1 | 0.821 | 0.882 | 21.436 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 51 | ASN | 0 | -0.083 | -0.049 | 21.072 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 52 | LEU | 0 | -0.011 | -0.012 | 15.829 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 53 | LEU | 0 | -0.033 | -0.002 | 17.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 54 | PHE | 0 | 0.023 | 0.015 | 12.722 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 55 | LEU | 0 | -0.026 | -0.014 | 11.545 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 56 | ARG | 1 | 0.763 | 0.864 | 14.351 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 57 | GLU | -1 | -0.927 | -0.977 | 17.135 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 58 | LEU | 0 | -0.052 | -0.025 | 10.375 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 59 | GLU | -1 | -0.890 | -0.946 | 13.681 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 60 | GLU | -1 | -0.853 | -0.909 | 15.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 61 | GLU | -1 | -0.885 | -0.928 | 18.160 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 62 | VAL | 0 | -0.142 | -0.067 | 15.370 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 101 | TYR | 0 | 0.015 | -0.011 | 15.763 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 102 | HIS | 0 | -0.028 | -0.024 | 8.360 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 103 | GLU | -1 | -0.812 | -0.889 | 11.552 | 0.992 | 0.992 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 104 | LEU | 0 | 0.023 | 0.017 | 12.961 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 105 | GLN | 0 | -0.036 | -0.049 | 8.803 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 106 | GLU | -1 | -0.796 | -0.875 | 11.392 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 107 | PHE | 0 | -0.024 | 0.001 | 14.655 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 108 | ILE | 0 | 0.000 | 0.005 | 9.514 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 109 | SER | 0 | 0.047 | 0.026 | 12.389 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 110 | LYS | 1 | 0.818 | 0.877 | 13.838 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 111 | LYS | 1 | 0.795 | 0.892 | 16.986 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 112 | LEU | 0 | 0.025 | 0.019 | 11.974 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 113 | ASN | 0 | -0.051 | -0.016 | 16.032 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 114 | ASN | 0 | -0.106 | -0.061 | 14.579 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 115 | LYS | 1 | 0.796 | 0.887 | 14.460 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 116 | THR | 0 | -0.009 | -0.018 | 8.819 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 117 | LEU | 0 | -0.050 | -0.024 | 9.544 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 118 | GLU | -1 | -0.945 | -0.985 | 9.633 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 119 | ASN | 0 | -0.026 | -0.008 | 10.804 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 120 | PHE | 0 | 0.100 | 0.030 | 12.731 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 121 | GLU | -1 | -0.757 | -0.854 | 14.897 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 122 | GLU | -1 | -0.899 | -0.946 | 14.156 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 123 | TRP | 0 | 0.006 | -0.013 | 12.242 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 124 | LEU | 0 | -0.001 | -0.001 | 14.890 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 125 | ARG | 1 | 0.866 | 0.930 | 18.458 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 126 | GLU | -1 | -0.801 | -0.888 | 15.550 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 127 | ARG | 1 | 0.828 | 0.898 | 17.117 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 128 | ILE | 0 | -0.004 | 0.001 | 18.825 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 129 | LEU | 0 | -0.036 | -0.014 | 21.514 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 130 | ILE | 0 | 0.009 | 0.003 | 17.333 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 131 | CYS | 0 | -0.046 | -0.022 | 21.468 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 132 | ASN | 0 | 0.010 | 0.020 | 23.623 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 133 | GLU | -1 | -0.865 | -0.920 | 22.606 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 134 | MET | 0 | -0.061 | -0.038 | 24.744 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 135 | ILE | 0 | -0.034 | -0.006 | 27.380 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 136 | PRO | 0 | -0.007 | -0.006 | 29.519 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 137 | GLU | -1 | -0.867 | -0.940 | 31.675 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 138 | THR | 0 | -0.069 | -0.040 | 30.745 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 139 | PRO | 0 | 0.016 | 0.009 | 29.287 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 140 | LEU | 0 | 0.008 | 0.002 | 28.350 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 141 | LEU | 0 | -0.002 | 0.012 | 26.227 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 142 | TYR | 0 | 0.049 | 0.004 | 20.223 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 143 | SER | 0 | 0.049 | 0.027 | 24.669 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 144 | VAL | 0 | -0.017 | 0.000 | 24.932 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 145 | LEU | 0 | 0.005 | 0.004 | 19.431 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 146 | TRP | 0 | 0.049 | 0.025 | 22.547 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 147 | GLU | -1 | -0.967 | -0.985 | 24.697 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 148 | THR | 0 | -0.065 | -0.031 | 25.565 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 149 | ALA | 0 | -0.008 | 0.008 | 23.180 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 150 | LYS | 1 | 0.880 | 0.943 | 22.932 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 151 | SER | 0 | -0.026 | -0.040 | 23.876 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 152 | LYS | 1 | 0.920 | 0.956 | 23.215 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 153 | VAL | 0 | 0.051 | 0.052 | 18.665 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 154 | LEU | 0 | -0.011 | 0.019 | 19.205 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 155 | SER | 0 | -0.052 | -0.054 | 21.854 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 156 | THR | 0 | -0.003 | -0.029 | 24.089 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 157 | LYS | 1 | 0.947 | 0.976 | 24.085 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 158 | PHE | 0 | 0.085 | 0.055 | 21.797 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 159 | ILE | 0 | 0.015 | 0.005 | 24.864 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 160 | GLY | 0 | 0.002 | -0.004 | 28.130 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 161 | TRP | 0 | -0.037 | -0.028 | 23.522 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 162 | VAL | 0 | 0.008 | 0.004 | 27.084 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 163 | GLU | -1 | -0.826 | -0.914 | 29.555 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 164 | GLY | 0 | 0.006 | -0.001 | 32.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 165 | VAL | 0 | -0.049 | -0.016 | 29.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 166 | LEU | 0 | -0.013 | -0.004 | 26.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 167 | LYS | 1 | 0.849 | 0.902 | 31.174 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 168 | PRO | 0 | 0.000 | 0.016 | 34.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 169 | LEU | 0 | -0.009 | 0.016 | 31.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 170 | ASP | -1 | -0.818 | -0.907 | 33.622 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 171 | HIS | 1 | 0.813 | 0.893 | 35.519 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 172 | LEU | 0 | -0.002 | 0.010 | 38.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 173 | ASN | 0 | 0.001 | -0.018 | 34.933 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 174 | LYS | 1 | 0.808 | 0.878 | 34.758 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 175 | ARG | 1 | 0.730 | 0.855 | 40.690 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 176 | LEU | 0 | -0.035 | -0.020 | 42.794 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 177 | HIS | 0 | -0.059 | -0.021 | 42.220 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 178 | LEU | 0 | -0.036 | 0.000 | 39.777 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 179 | ILE | 0 | -0.018 | -0.028 | 35.460 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 180 | PHE | 0 | 0.012 | 0.018 | 34.777 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 181 | LYS | 1 | 0.921 | 0.959 | 28.849 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 182 | ILE | 0 | 0.015 | -0.006 | 26.851 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 183 | ASN | 0 | -0.014 | -0.009 | 24.947 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 184 | GLU | -1 | -0.853 | -0.918 | 28.126 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 185 | TRP | 0 | 0.059 | 0.020 | 31.669 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 186 | GLU | -1 | -0.844 | -0.930 | 27.407 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 187 | LYS | 1 | 0.822 | 0.910 | 26.245 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 188 | MET | 0 | -0.011 | 0.029 | 32.193 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 189 | PRO | 0 | -0.003 | 0.002 | 35.839 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 190 | ASP | -1 | -0.816 | -0.917 | 38.217 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 191 | SER | 0 | -0.033 | -0.041 | 39.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 192 | GLU | -1 | -0.964 | -1.002 | 40.362 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 193 | LEU | 0 | 0.024 | 0.012 | 36.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 194 | PHE | 0 | 0.019 | -0.018 | 40.574 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 195 | LYS | 1 | 0.765 | 0.852 | 43.713 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 196 | ILE | 0 | 0.005 | 0.030 | 39.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 197 | ILE | 0 | -0.046 | -0.015 | 40.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 198 | PHE | 0 | -0.065 | -0.046 | 44.183 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 199 | ASP | -1 | -0.947 | -0.957 | 47.951 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 211 | ALA | 0 | 0.017 | 0.010 | 50.257 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 212 | ASP | -1 | -0.835 | -0.927 | 45.190 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 213 | VAL | 0 | 0.082 | 0.052 | 44.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 214 | ILE | 0 | -0.036 | -0.017 | 44.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 215 | GLU | -1 | -0.840 | -0.908 | 44.323 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 216 | ASP | -1 | -0.893 | -0.962 | 39.954 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 217 | GLU | -1 | -0.671 | -0.789 | 39.204 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 218 | LEU | 0 | -0.039 | -0.003 | 39.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 219 | ALA | 0 | 0.011 | 0.010 | 40.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 220 | PRO | 0 | -0.026 | -0.006 | 36.791 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 221 | THR | 0 | 0.028 | 0.008 | 36.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 222 | LEU | 0 | -0.057 | -0.025 | 37.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 223 | SER | 0 | -0.032 | -0.004 | 37.614 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 224 | TYR | 0 | -0.047 | -0.030 | 28.555 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 225 | GLY | 0 | -0.006 | -0.004 | 33.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 226 | LYS | 1 | 0.868 | 0.930 | 34.636 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 227 | LYS | 1 | 0.928 | 0.973 | 35.146 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 228 | TRP | 0 | 0.069 | 0.037 | 40.267 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 229 | GLU | -1 | -0.827 | -0.892 | 43.452 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 230 | THR | 0 | 0.041 | 0.022 | 41.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 231 | PHE | 0 | 0.013 | 0.010 | 43.885 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 232 | ILE | 0 | -0.005 | -0.008 | 45.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 233 | THR | 0 | -0.035 | -0.041 | 47.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 234 | GLU | -1 | -0.795 | -0.842 | 46.292 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 235 | PHE | 0 | 0.000 | -0.017 | 47.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 236 | PHE | 0 | -0.031 | 0.002 | 49.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 237 | ASN | 0 | 0.011 | -0.003 | 52.151 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 238 | LYS | 1 | 0.875 | 0.916 | 55.021 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 239 | GLN | 0 | -0.022 | -0.008 | 54.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 240 | GLN | 0 | -0.003 | 0.014 | 51.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 241 | PHE | 0 | -0.038 | -0.015 | 52.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 242 | SER | 0 | 0.056 | 0.023 | 58.083 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 243 | LEU | 0 | 0.019 | 0.009 | 60.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 244 | LYS | 1 | 0.961 | 0.991 | 62.936 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 245 | SER | 0 | 0.004 | -0.011 | 62.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 246 | ASP | -1 | -0.714 | -0.833 | 63.202 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 247 | THR | 0 | -0.014 | -0.004 | 59.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 248 | ASN | 0 | -0.030 | -0.018 | 57.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 249 | TYR | 0 | 0.035 | -0.022 | 58.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 250 | GLN | 0 | 0.011 | -0.011 | 59.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 251 | LEU | 0 | -0.060 | -0.018 | 52.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 252 | PHE | 0 | 0.038 | 0.021 | 54.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 253 | ILE | 0 | 0.004 | 0.010 | 55.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 254 | LYS | 1 | 0.890 | 0.918 | 52.815 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 255 | LEU | 0 | 0.003 | 0.013 | 48.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 256 | TYR | 0 | -0.007 | -0.023 | 51.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 257 | TYR | 0 | 0.049 | 0.017 | 52.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 258 | SER | 0 | -0.081 | -0.052 | 47.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 259 | LEU | 0 | -0.011 | -0.010 | 46.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 260 | GLU | -1 | -0.855 | -0.903 | 48.122 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 261 | LYS | 1 | 0.782 | 0.875 | 46.059 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 262 | GLY | 0 | -0.018 | -0.008 | 44.439 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 263 | VAL | 0 | -0.028 | 0.004 | 43.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 264 | LYS | 1 | 0.820 | 0.884 | 45.662 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 265 | ASP | -1 | -0.847 | -0.911 | 42.861 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 266 | ASN | 0 | -0.097 | -0.035 | 46.396 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 267 | SER | 0 | -0.013 | -0.023 | 45.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 268 | GLU | -1 | -0.882 | -0.964 | 45.831 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 269 | ALA | 0 | 0.035 | 0.019 | 45.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 270 | SER | 0 | -0.026 | 0.008 | 47.544 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 271 | ARG | 1 | 1.023 | 1.005 | 50.158 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 272 | LYS | 1 | 0.843 | 0.919 | 49.382 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 273 | LEU | 0 | 0.004 | 0.006 | 50.485 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 274 | GLN | 0 | 0.031 | 0.007 | 52.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 275 | SER | 0 | -0.006 | -0.019 | 54.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 276 | ASN | 0 | 0.011 | -0.010 | 52.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 277 | VAL | 0 | 0.006 | 0.011 | 55.645 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 278 | VAL | 0 | 0.033 | 0.014 | 57.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 279 | ASP | -1 | -0.812 | -0.889 | 58.073 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 280 | ILE | 0 | -0.029 | -0.013 | 55.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 281 | LEU | 0 | 0.007 | 0.003 | 60.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 282 | PHE | 0 | 0.013 | -0.002 | 63.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 283 | HIS | 0 | -0.066 | -0.054 | 62.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 284 | ASN | 0 | -0.049 | -0.025 | 61.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 285 | SER | 0 | 0.017 | 0.010 | 65.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 286 | GLU | -1 | -0.902 | -0.941 | 67.763 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 287 | ASN | 0 | -0.065 | -0.038 | 65.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 288 | LEU | 0 | 0.015 | 0.008 | 65.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 289 | PHE | 0 | -0.016 | -0.024 | 67.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 290 | ASN | 0 | -0.066 | -0.029 | 70.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 291 | LEU | 0 | -0.081 | -0.014 | 65.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 292 | SER | 0 | -0.039 | -0.042 | 68.352 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 293 | SER | 0 | -0.019 | -0.030 | 69.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 294 | LEU | 0 | 0.034 | 0.038 | 70.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 295 | THR | 0 | 0.041 | 0.021 | 70.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 296 | HIS | 0 | 0.011 | 0.010 | 65.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 297 | LYS | 1 | 0.826 | 0.910 | 65.023 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 298 | LEU | 0 | 0.008 | 0.008 | 66.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 299 | ASP | -1 | -0.856 | -0.941 | 67.752 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 300 | GLU | -1 | -0.852 | -0.910 | 61.978 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 301 | LEU | 0 | 0.011 | -0.004 | 61.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 302 | TRP | 0 | 0.035 | 0.021 | 63.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 303 | SER | 0 | -0.033 | -0.009 | 62.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 304 | ILE | 0 | -0.049 | 0.000 | 58.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 305 | LEU | 0 | -0.003 | -0.021 | 60.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 306 | SER | 0 | -0.083 | -0.050 | 62.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 307 | GLY | 0 | -0.010 | 0.002 | 59.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 308 | PHE | 0 | -0.069 | -0.039 | 57.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 309 | PRO | 0 | -0.041 | -0.026 | 56.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 310 | ASP | -1 | -0.907 | -0.950 | 59.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 311 | GLU | -1 | -0.960 | -0.977 | 60.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 312 | ILE | 0 | -0.044 | -0.010 | 57.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 313 | THR | 0 | 0.007 | 0.003 | 58.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 314 | ILE | 0 | -0.023 | 0.001 | 58.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 315 | GLU | -1 | -0.859 | -0.918 | 59.306 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 316 | GLU | -1 | -0.843 | -0.899 | 59.811 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 317 | GLN | 0 | -0.072 | -0.054 | 60.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 318 | LYS | 1 | 0.819 | 0.908 | 63.086 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 319 | THR | 0 | 0.021 | 0.015 | 62.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 320 | ILE | 0 | -0.042 | -0.008 | 63.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 321 | THR | 0 | -0.005 | -0.045 | 64.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 322 | ALA | 0 | 0.019 | -0.001 | 64.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 323 | LEU | 0 | -0.038 | -0.016 | 65.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 324 | GLU | -1 | -0.802 | -0.872 | 68.789 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 325 | MET | 0 | 0.010 | 0.016 | 63.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 326 | LYS | 1 | 0.906 | 0.960 | 67.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 327 | GLN | 0 | 0.001 | -0.011 | 69.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 328 | PHE | 0 | 0.008 | 0.002 | 69.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 329 | MET | 0 | 0.003 | 0.010 | 67.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 330 | GLU | -1 | -0.868 | -0.935 | 70.849 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 331 | PHE | 0 | 0.007 | -0.005 | 73.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 332 | PHE | 0 | -0.030 | -0.021 | 70.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 333 | ILE | 0 | -0.046 | -0.016 | 70.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 334 | LYS | 1 | 0.777 | 0.868 | 74.638 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 335 | CYS | 0 | -0.110 | -0.026 | 78.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 336 | SER | 0 | 0.020 | -0.026 | 78.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 337 | THR | 0 | -0.009 | -0.001 | 74.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 338 | LYS | 1 | 0.793 | 0.898 | 76.236 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 339 | PHE | 0 | -0.035 | -0.008 | 76.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 340 | SER | 0 | 0.038 | -0.012 | 71.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 341 | PHE | 0 | 0.001 | -0.013 | 65.110 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 342 | LYS | 1 | 0.851 | 0.941 | 66.161 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 343 | GLU | -1 | -0.815 | -0.887 | 70.218 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 344 | ILE | 0 | -0.020 | -0.004 | 72.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 345 | PHE | 0 | 0.035 | 0.014 | 68.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 346 | ALA | 0 | 0.017 | 0.008 | 72.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 347 | ILE | 0 | -0.024 | -0.009 | 74.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 348 | THR | 0 | -0.001 | 0.000 | 72.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 349 | GLN | 0 | -0.030 | -0.033 | 69.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 350 | GLU | -1 | -0.853 | -0.905 | 75.495 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 351 | GLU | -1 | -0.924 | -0.961 | 78.917 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 352 | GLU | -1 | -0.887 | -0.941 | 82.130 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 353 | SER | 0 | 0.000 | -0.007 | 84.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 354 | ALA | 0 | -0.023 | -0.008 | 82.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 355 | GLN | 0 | 0.045 | 0.011 | 79.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 356 | LEU | 0 | 0.040 | 0.022 | 83.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 357 | ALA | 0 | 0.000 | 0.019 | 85.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 358 | HIS | 1 | 0.825 | 0.898 | 80.048 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 359 | PHE | 0 | 0.030 | 0.018 | 83.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 360 | SER | 0 | -0.012 | -0.022 | 85.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 361 | SER | 0 | -0.042 | -0.041 | 85.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 362 | LEU | 0 | -0.039 | -0.008 | 81.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 363 | CYS | 0 | -0.009 | -0.007 | 84.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 364 | HIS | 0 | -0.004 | 0.001 | 88.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 365 | GLU | -1 | -0.780 | -0.857 | 83.894 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 366 | GLU | -1 | -0.751 | -0.862 | 82.663 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 367 | PHE | 0 | -0.021 | -0.025 | 86.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 368 | ASN | 0 | -0.081 | -0.061 | 89.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 369 | LYS | 1 | 0.750 | 0.866 | 82.826 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 370 | ALA | 0 | -0.008 | 0.007 | 87.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 371 | ASN | 0 | -0.055 | -0.035 | 87.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 372 | GLU | -1 | -0.825 | -0.887 | 90.469 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 373 | ILE | 0 | 0.051 | 0.052 | 90.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 374 | SER | 0 | -0.008 | -0.014 | 90.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 375 | SER | 0 | -0.059 | -0.035 | 86.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 376 | PHE | 0 | 0.083 | 0.018 | 83.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 377 | LEU | 0 | -0.018 | -0.003 | 86.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 378 | GLN | 0 | -0.019 | -0.023 | 84.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 379 | ALA | 0 | 0.027 | 0.012 | 82.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 380 | MET | 0 | 0.009 | 0.012 | 82.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 381 | TYR | 0 | -0.042 | -0.022 | 83.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 382 | GLU | -1 | -0.830 | -0.884 | 80.188 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 383 | THR | 0 | -0.061 | -0.034 | 77.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 384 | VAL | 0 | 0.037 | 0.020 | 80.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 385 | LEU | 0 | -0.026 | -0.025 | 82.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 386 | ASP | -1 | -0.730 | -0.825 | 81.343 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 387 | ILE | 0 | -0.029 | -0.025 | 84.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 388 | SER | 0 | -0.137 | -0.079 | 82.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 389 | LYS | 1 | 0.739 | 0.851 | 77.243 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 390 | ASP | -1 | -0.809 | -0.878 | 77.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 391 | ASP | -1 | -0.732 | -0.858 | 78.321 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 392 | LYS | 1 | 0.835 | 0.880 | 73.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 393 | ILE | 0 | 0.005 | 0.017 | 75.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 394 | PHE | 0 | -0.011 | -0.021 | 77.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 395 | THR | 0 | -0.047 | -0.022 | 76.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 396 | ARG | 1 | 0.776 | 0.907 | 77.078 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 397 | ILE | 0 | 0.026 | 0.040 | 82.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 398 | SER | 0 | -0.049 | -0.063 | 85.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 399 | MET | 0 | 0.005 | -0.004 | 86.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 400 | ASP | -1 | -0.830 | -0.890 | 88.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 401 | GLU | -1 | -0.821 | -0.869 | 88.912 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 402 | LYS | 1 | 0.811 | 0.899 | 82.701 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 403 | LEU | 0 | 0.021 | 0.005 | 89.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 404 | TYR | 0 | -0.041 | -0.042 | 92.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 405 | SER | 0 | -0.045 | -0.016 | 91.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 406 | ILE | 0 | 0.022 | 0.000 | 88.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 407 | LEU | 0 | 0.007 | 0.007 | 93.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 408 | GLU | -1 | -0.787 | -0.856 | 95.871 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 409 | ILE | 0 | -0.022 | -0.007 | 91.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 410 | LEU | 0 | 0.017 | 0.001 | 94.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 411 | LEU | 0 | -0.018 | 0.000 | 97.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 412 | GLN | 0 | -0.008 | -0.009 | 98.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 413 | MET | 0 | -0.053 | -0.004 | 94.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 414 | ASN | 0 | -0.062 | -0.035 | 99.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 415 | GLU | -1 | -0.834 | -0.914 | 97.145 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 416 | PHE | 0 | -0.024 | -0.036 | 100.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 417 | ALA | 0 | 0.010 | 0.010 | 100.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 418 | TYR | 0 | 0.006 | -0.033 | 94.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 419 | ILE | 0 | 0.010 | 0.010 | 97.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 420 | GLU | -1 | -0.796 | -0.864 | 99.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 421 | ALA | 0 | -0.006 | 0.002 | 97.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 422 | ILE | 0 | -0.007 | -0.003 | 93.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 423 | ILE | 0 | -0.015 | -0.017 | 96.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 424 | GLU | -1 | -0.887 | -0.940 | 99.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 425 | ARG | 1 | 0.854 | 0.947 | 88.171 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 426 | PHE | 0 | -0.027 | -0.029 | 89.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 427 | ASP | -1 | -0.852 | -0.888 | 95.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 428 | TYR | 0 | -0.085 | -0.058 | 93.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 429 | SER | 0 | 0.000 | -0.031 | 99.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 430 | ASN | 0 | -0.068 | -0.058 | 103.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 431 | ASN | 0 | 0.040 | 0.027 | 98.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 432 | THR | 0 | -0.003 | -0.019 | 102.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 433 | GLN | 0 | 0.063 | 0.038 | 97.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 434 | ILE | 0 | 0.035 | 0.021 | 97.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 435 | TYR | 0 | 0.004 | 0.013 | 101.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 436 | GLU | -1 | -0.785 | -0.904 | 104.435 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 437 | LEU | 0 | -0.041 | 0.000 | 99.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 438 | LEU | 0 | 0.030 | 0.009 | 103.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 439 | VAL | 0 | -0.013 | -0.015 | 105.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 440 | LYS | 1 | 0.815 | 0.893 | 100.515 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 441 | PHE | 0 | 0.026 | 0.004 | 100.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 442 | PHE | 0 | 0.005 | 0.001 | 106.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 443 | TRP | 0 | 0.022 | 0.002 | 109.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 444 | HIS | 0 | -0.020 | 0.012 | 103.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 445 | PHE | 0 | 0.006 | 0.000 | 104.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 446 | PHE | 0 | 0.004 | -0.012 | 109.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 447 | ASN | 0 | -0.033 | -0.035 | 112.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 448 | ASN | 0 | -0.044 | -0.023 | 108.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 449 | ALA | 0 | -0.045 | -0.005 | 111.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 450 | SER | 0 | -0.031 | -0.044 | 114.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 451 | ASN | 0 | -0.044 | -0.039 | 116.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 452 | GLY | 0 | 0.076 | 0.014 | 118.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 453 | LEU | 0 | -0.033 | -0.010 | 119.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 454 | ARG | 1 | 0.891 | 0.922 | 117.745 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 455 | LYS | 1 | 0.927 | 0.969 | 116.398 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 456 | GLU | -1 | -0.764 | -0.843 | 114.219 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 457 | PRO | 0 | -0.038 | -0.022 | 109.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 458 | GLU | -1 | -0.746 | -0.874 | 108.379 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 459 | MET | 0 | 0.027 | 0.031 | 111.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 460 | LYS | 1 | 0.820 | 0.916 | 110.716 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 461 | LYS | 1 | 0.859 | 0.947 | 105.603 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 462 | ALA | 0 | 0.014 | 0.030 | 109.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 463 | SER | 0 | 0.005 | -0.008 | 111.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 464 | GLN | 0 | -0.015 | -0.017 | 107.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 465 | THR | 0 | 0.008 | -0.009 | 106.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 466 | LEU | 0 | -0.009 | 0.000 | 108.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 467 | GLN | 0 | -0.053 | -0.029 | 109.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 468 | ILE | 0 | 0.012 | 0.031 | 104.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 469 | ILE | 0 | -0.002 | -0.016 | 107.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 470 | GLN | 0 | -0.055 | -0.051 | 109.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 471 | LYS | 1 | 0.762 | 0.855 | 107.530 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 472 | HIS | 1 | 0.805 | 0.895 | 104.024 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 473 | MET | 0 | -0.039 | 0.008 | 103.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 474 | SER | 0 | 0.059 | 0.024 | 108.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 475 | GLN | 0 | -0.041 | -0.016 | 109.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 476 | ARG | 1 | 0.808 | 0.911 | 107.122 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 477 | ALA | 0 | -0.007 | 0.005 | 110.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 478 | GLY | 0 | 0.038 | 0.016 | 112.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 479 | THR | 0 | -0.026 | -0.036 | 115.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 480 | ASN | 0 | -0.011 | 0.000 | 113.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 481 | LEU | 0 | 0.010 | 0.017 | 113.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 482 | THR | 0 | 0.045 | 0.017 | 115.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 483 | LYS | 1 | 0.863 | 0.942 | 119.159 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 484 | LEU | 0 | 0.012 | 0.020 | 113.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 485 | GLU | -1 | -0.863 | -0.943 | 116.532 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 486 | VAL | 0 | -0.027 | -0.018 | 118.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 487 | LEU | 0 | 0.035 | 0.031 | 117.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 488 | LEU | 0 | -0.020 | -0.004 | 114.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 489 | GLU | -1 | -0.809 | -0.867 | 119.455 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 490 | ILE | 0 | -0.027 | -0.011 | 122.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 491 | SER | 0 | 0.019 | -0.003 | 120.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 492 | ASP | -1 | -0.835 | -0.906 | 121.526 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 493 | LYS | 1 | 0.874 | 0.929 | 123.073 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 494 | LEU | 0 | 0.041 | 0.021 | 125.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 495 | SER | 0 | 0.001 | -0.007 | 123.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 496 | HIS | 1 | 0.712 | 0.834 | 124.497 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 497 | TYR | 0 | -0.026 | 0.003 | 127.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 498 | SER | 0 | -0.028 | -0.008 | 129.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 499 | ILE | 0 | 0.032 | 0.014 | 127.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 500 | ASN | 0 | -0.027 | -0.017 | 128.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 501 | LEU | 0 | 0.033 | 0.044 | 128.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 502 | ASN | 0 | -0.064 | -0.031 | 123.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 512 | ALA | 0 | -0.002 | -0.006 | 121.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 513 | PHE | 0 | -0.018 | -0.016 | 122.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 514 | LYS | 1 | 0.880 | 0.940 | 115.365 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 515 | PRO | 0 | 0.027 | 0.003 | 117.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 516 | SER | 0 | -0.028 | -0.011 | 116.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 517 | ASN | 0 | -0.012 | -0.017 | 118.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 518 | ILE | 0 | -0.005 | -0.003 | 121.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 519 | LEU | 0 | -0.046 | -0.026 | 117.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 520 | GLU | -1 | -0.866 | -0.922 | 119.777 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 521 | TYR | 0 | 0.037 | 0.014 | 122.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 522 | ARG | 1 | 0.802 | 0.903 | 122.999 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 523 | ASP | -1 | -0.899 | -0.950 | 125.730 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 524 | CYS | 0 | -0.081 | -0.029 | 128.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 525 | PRO | 0 | 0.022 | 0.002 | 128.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 526 | LEU | 0 | 0.022 | -0.001 | 130.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 527 | ASP | -1 | -0.807 | -0.888 | 131.637 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 528 | ILE | 0 | -0.033 | -0.023 | 127.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 529 | ILE | 0 | -0.028 | -0.013 | 131.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 530 | SER | 0 | 0.017 | 0.011 | 134.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 531 | ASN | 0 | 0.086 | 0.024 | 131.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 532 | LEU | 0 | -0.023 | -0.014 | 130.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 533 | LEU | 0 | -0.034 | -0.019 | 134.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 534 | GLU | -1 | -0.924 | -0.920 | 137.137 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 535 | LEU | 0 | -0.068 | -0.020 | 132.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 536 | ASN | 0 | -0.078 | -0.049 | 133.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 537 | PRO | 0 | 0.090 | 0.041 | 137.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 538 | ARG | 1 | 0.879 | 0.930 | 138.715 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | D | 539 | LEU | 0 | 0.006 | 0.011 | 135.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | D | 540 | TYR | 0 | 0.004 | -0.016 | 139.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | D | 541 | LYS | 1 | 0.807 | 0.899 | 142.216 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | D | 542 | ASP | -1 | -0.889 | -0.908 | 136.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | D | 543 | LEU | 0 | 0.066 | 0.029 | 138.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | D | 544 | PRO | 0 | -0.013 | -0.016 | 137.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | D | 545 | THR | 0 | -0.044 | -0.052 | 133.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | D | 546 | THR | 0 | 0.053 | 0.051 | 133.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | D | 547 | LYS | 1 | 0.868 | 0.932 | 134.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | D | 548 | SER | 0 | -0.126 | -0.079 | 131.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | D | 549 | LEU | 0 | -0.003 | -0.005 | 128.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | D | 550 | LEU | 0 | 0.035 | 0.028 | 129.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | D | 551 | PHE | 0 | -0.008 | -0.021 | 130.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | D | 552 | GLY | 0 | 0.051 | 0.037 | 127.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | D | 553 | ILE | 0 | 0.006 | 0.006 | 125.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | D | 554 | TYR | 0 | 0.015 | -0.002 | 125.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | D | 555 | ASP | -1 | -0.830 | -0.899 | 126.168 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | D | 556 | SER | 0 | -0.070 | -0.057 | 121.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | D | 557 | LEU | 0 | -0.012 | -0.007 | 121.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | D | 558 | SER | 0 | -0.050 | -0.009 | 121.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | D | 559 | ILE | 0 | 0.004 | 0.023 | 124.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | D | 560 | ASN | 0 | -0.073 | -0.051 | 127.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | D | 561 | ARG | 1 | 0.866 | 0.901 | 129.789 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | D | 562 | GLU | -1 | -0.843 | -0.910 | 132.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | D | 563 | GLY | 0 | -0.011 | 0.005 | 134.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | D | 564 | GLN | 0 | 0.043 | -0.001 | 135.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | D | 565 | THR | 0 | -0.015 | 0.008 | 135.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | D | 566 | GLY | 0 | 0.021 | 0.015 | 137.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | D | 567 | LYS | 1 | 0.789 | 0.871 | 140.060 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | D | 568 | VAL | 0 | 0.025 | 0.009 | 135.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | D | 569 | GLU | -1 | -0.836 | -0.909 | 138.645 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | D | 570 | VAL | 0 | 0.027 | 0.016 | 140.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | D | 571 | ASP | -1 | -0.784 | -0.876 | 139.813 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | D | 572 | LEU | 0 | -0.046 | -0.015 | 137.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | D | 573 | MET | 0 | -0.031 | -0.028 | 140.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | D | 574 | VAL | 0 | 0.025 | 0.018 | 143.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | D | 575 | LEU | 0 | 0.045 | 0.024 | 138.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | D | 576 | HIS | 0 | -0.068 | -0.048 | 139.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | D | 577 | ILE | 0 | -0.028 | 0.001 | 143.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | D | 578 | ASP | -1 | -0.778 | -0.880 | 144.838 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | D | 579 | TYR | 0 | -0.009 | -0.037 | 139.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | D | 580 | ALA | 0 | -0.024 | -0.003 | 144.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | D | 581 | LEU | 0 | -0.029 | -0.008 | 146.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | D | 582 | VAL | 0 | -0.015 | -0.001 | 144.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | D | 583 | ASN | 0 | -0.108 | -0.062 | 142.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | D | 584 | LEU | 0 | -0.018 | -0.011 | 147.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | D | 585 | ASP | -1 | -0.742 | -0.804 | 148.755 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | D | 586 | PHE | 0 | 0.042 | 0.007 | 150.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | D | 587 | GLY | 0 | 0.009 | 0.015 | 153.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | D | 588 | THR | 0 | -0.006 | -0.049 | 146.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | D | 589 | ALA | 0 | 0.021 | 0.018 | 149.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | D | 590 | TYR | 0 | 0.026 | 0.007 | 150.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | D | 591 | GLU | -1 | -0.983 | -0.995 | 150.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | D | 592 | LEU | 0 | -0.017 | -0.005 | 145.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | D | 593 | GLY | 0 | 0.054 | 0.015 | 149.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | D | 594 | LYS | 1 | 0.809 | 0.892 | 151.607 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | D | 595 | GLN | 0 | -0.017 | -0.014 | 146.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | D | 596 | VAL | 0 | 0.025 | 0.010 | 146.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | D | 597 | PHE | 0 | 0.029 | 0.014 | 149.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | D | 598 | GLU | -1 | -0.777 | -0.857 | 152.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | D | 599 | ILE | 0 | 0.014 | 0.008 | 145.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | D | 600 | CYS | 0 | -0.051 | -0.021 | 148.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | D | 601 | GLN | 0 | 0.052 | 0.020 | 149.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | D | 602 | GLU | -1 | -1.006 | -0.994 | 149.982 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | D | 603 | ALA | 0 | -0.059 | -0.023 | 146.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | D | 604 | GLY | 0 | 0.010 | 0.016 | 148.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | D | 605 | GLN | 0 | 0.011 | -0.027 | 151.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | D | 606 | HIS | 0 | -0.047 | -0.008 | 144.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | D | 607 | MET | 0 | 0.073 | 0.032 | 144.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | D | 608 | MET | 0 | -0.023 | 0.019 | 148.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | D | 609 | LYS | 1 | 0.822 | 0.888 | 150.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | D | 610 | ALA | 0 | -0.014 | 0.005 | 145.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | D | 611 | LEU | 0 | 0.004 | -0.013 | 148.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | D | 612 | GLY | 0 | 0.034 | 0.018 | 149.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | D | 613 | ASP | -1 | -0.847 | -0.929 | 148.767 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | D | 614 | GLU | -1 | -0.901 | -0.931 | 143.077 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | D | 615 | HIS | 0 | 0.015 | -0.011 | 143.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | D | 616 | TRP | 0 | 0.008 | 0.008 | 148.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | D | 617 | LEU | 0 | 0.015 | 0.016 | 148.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | D | 618 | THR | 0 | -0.014 | -0.024 | 147.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | D | 619 | PHE | 0 | -0.016 | -0.016 | 149.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | D | 620 | TYR | 0 | -0.026 | -0.016 | 153.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | D | 621 | GLN | 0 | -0.047 | -0.028 | 148.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | D | 622 | MET | 0 | -0.010 | 0.009 | 152.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | D | 623 | GLY | 0 | 0.006 | -0.012 | 154.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | D | 624 | LYS | 1 | 0.908 | 0.939 | 157.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | D | 625 | PHE | 0 | -0.025 | 0.012 | 152.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | D | 626 | VAL | 0 | 0.008 | -0.013 | 156.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | D | 627 | ASP | -1 | -0.765 | -0.864 | 155.037 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | D | 628 | PRO | 0 | -0.048 | -0.036 | 154.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | D | 629 | ASN | 0 | -0.119 | -0.067 | 153.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | D | 630 | TRP | 0 | 0.011 | 0.024 | 157.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | D | 631 | VAL | 0 | 0.024 | 0.002 | 160.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | D | 632 | ASP | -1 | -0.813 | -0.884 | 163.397 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | D | 633 | ASN | 0 | -0.093 | -0.043 | 161.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | D | 634 | GLU | -1 | -0.877 | -0.915 | 163.173 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | D | 635 | ILE | 0 | 0.028 | 0.007 | 162.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | D | 636 | PRO | 0 | -0.025 | -0.002 | 160.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | D | 637 | THR | 0 | 0.049 | -0.020 | 163.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | D | 638 | GLU | -1 | -0.843 | -0.936 | 161.718 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | D | 639 | ILE | 0 | -0.008 | -0.007 | 158.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | D | 640 | ILE | 0 | 0.030 | 0.034 | 161.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | D | 641 | VAL | 0 | -0.007 | 0.001 | 164.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | D | 642 | LEU | 0 | -0.048 | -0.020 | 158.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | D | 643 | GLN | 0 | -0.040 | -0.026 | 158.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | D | 644 | MET | 0 | -0.005 | 0.013 | 160.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | D | 645 | SER | 0 | -0.068 | -0.025 | 161.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | D | 646 | ILE | 0 | 0.012 | -0.005 | 154.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | D | 647 | LEU | 0 | -0.013 | -0.003 | 158.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | D | 648 | GLY | 0 | -0.010 | -0.004 | 160.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | D | 649 | ARG | 1 | 0.787 | 0.864 | 155.787 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | D | 650 | LEU | 0 | -0.008 | 0.009 | 154.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | D | 651 | LEU | 0 | -0.016 | -0.014 | 157.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | D | 652 | GLU | -1 | -1.013 | -0.985 | 158.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | D | 653 | VAL | 0 | -0.055 | -0.041 | 154.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | D | 654 | CYS | 0 | -0.049 | -0.005 | 155.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | D | 655 | PRO | 0 | 0.027 | 0.021 | 153.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | D | 656 | LEU | 0 | -0.008 | -0.011 | 155.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | D | 657 | GLU | -1 | -0.936 | -0.978 | 155.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | D | 658 | GLU | -1 | -0.860 | -0.940 | 155.428 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | D | 659 | VAL | 0 | -0.015 | -0.006 | 158.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | D | 660 | GLU | -1 | -0.924 | -0.944 | 161.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | D | 661 | ILE | 0 | 0.034 | 0.026 | 157.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | D | 662 | VAL | 0 | 0.022 | 0.014 | 158.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | D | 663 | THR | 0 | -0.010 | -0.024 | 161.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | D | 664 | SER | 0 | -0.047 | -0.033 | 164.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | D | 665 | GLN | 0 | -0.005 | 0.024 | 160.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | D | 666 | TRP | 0 | 0.002 | -0.002 | 163.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | D | 667 | SER | 0 | -0.003 | -0.005 | 165.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | D | 668 | THR | 0 | -0.049 | -0.040 | 166.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | D | 669 | LEU | 0 | -0.046 | -0.014 | 162.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | D | 670 | GLU | -1 | -0.927 | -0.977 | 167.110 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | D | 671 | LEU | 0 | 0.002 | 0.000 | 170.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | D | 672 | GLU | -1 | -0.824 | -0.870 | 168.639 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | D | 673 | LEU | 0 | -0.029 | -0.021 | 168.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | D | 674 | SER | 0 | -0.125 | -0.078 | 171.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | D | 675 | ALA | 0 | -0.021 | 0.002 | 173.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | D | 676 | ARG | 1 | 0.753 | 0.840 | 167.280 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | D | 677 | ASP | -1 | -0.798 | -0.903 | 174.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | D | 678 | LEU | 0 | 0.039 | 0.004 | 170.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | D | 679 | VAL | 0 | -0.112 | -0.038 | 173.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | D | 680 | LYS | 1 | 0.724 | 0.838 | 175.105 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | D | 681 | ASP | -1 | -0.749 | -0.833 | 170.390 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | D | 682 | LYS | 1 | 0.776 | 0.893 | 169.114 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | D | 683 | TYR | 0 | -0.044 | -0.039 | 166.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | D | 684 | ALA | 0 | -0.068 | -0.019 | 164.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |