FMODB ID: 3JN5L
Calculation Name: 4RL5-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4RL5
Chain ID: A
UniProt ID: Q9LZD3
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 467 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7687877.057036 |
---|---|
FMO2-HF: Nuclear repulsion | 7498308.549447 |
FMO2-HF: Total energy | -189568.50759 |
FMO2-MP2: Total energy | -190123.350615 |
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:74:SER)
Summations of interaction energy for
fragment #1(A:74:SER)
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. |
-6.371 | -1.923 | 0.54 | -2.066 | -2.923 | 0.002 |
Interaction energy analysis for fragmet #1(A:74:SER)
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 | 76 | ILE | 0 | 0.071 | 0.011 | 3.819 | -1.177 | 1.719 | -0.014 | -1.540 | -1.341 | 0.001 |
4 | A | 77 | LEU | 0 | 0.022 | 0.007 | 2.607 | -1.297 | 0.069 | 0.555 | -0.507 | -1.415 | 0.001 |
5 | A | 78 | SER | 0 | 0.016 | 0.016 | 4.636 | -1.163 | -0.977 | -0.001 | -0.019 | -0.167 | 0.000 |
6 | A | 79 | GLN | 0 | 0.032 | 0.008 | 6.434 | -0.948 | -0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 80 | PHE | 0 | 0.022 | -0.002 | 8.007 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 81 | ASP | -1 | -0.867 | -0.911 | 8.851 | 1.271 | 1.271 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 82 | LEU | 0 | -0.010 | -0.005 | 10.480 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 83 | LEU | 0 | -0.014 | -0.007 | 12.389 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 84 | ARG | 1 | 0.912 | 0.952 | 10.818 | -1.104 | -1.104 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 85 | GLN | 0 | -0.011 | 0.007 | 14.588 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 86 | ALA | 0 | -0.003 | -0.010 | 16.391 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 87 | GLU | -1 | -0.782 | -0.885 | 18.056 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 88 | THR | 0 | -0.090 | -0.050 | 18.324 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 89 | LYS | 1 | 0.800 | 0.894 | 20.206 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 90 | VAL | 0 | -0.051 | -0.028 | 22.183 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 91 | LEU | 0 | 0.001 | 0.007 | 24.200 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 102 | LEU | 0 | 0.072 | 0.034 | 25.676 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 103 | ASP | -1 | -0.784 | -0.890 | 20.987 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 104 | ALA | 0 | 0.029 | 0.007 | 19.938 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 105 | ILE | 0 | 0.069 | 0.037 | 20.079 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 106 | ALA | 0 | 0.053 | 0.026 | 21.276 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 107 | GLN | 0 | -0.006 | -0.010 | 14.007 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 108 | LEU | 0 | 0.056 | 0.020 | 16.506 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 109 | ARG | 1 | 0.916 | 0.969 | 18.088 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 110 | LYS | 1 | 0.874 | 0.934 | 15.377 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 111 | ILE | 0 | 0.007 | 0.014 | 12.697 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 112 | ILE | 0 | -0.003 | -0.003 | 14.392 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 113 | ARG | 1 | 0.937 | 0.967 | 16.390 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 114 | TYR | 0 | -0.012 | -0.012 | 11.304 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 115 | PHE | 0 | 0.006 | 0.002 | 9.854 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 116 | MET | 0 | -0.070 | -0.016 | 13.631 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 117 | SER | 0 | -0.045 | -0.014 | 12.034 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 133 | SER | 0 | 0.014 | -0.001 | 22.531 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 134 | LEU | 0 | 0.040 | -0.003 | 19.031 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 135 | LEU | 0 | 0.001 | 0.006 | 22.470 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 136 | ALA | 0 | 0.041 | 0.024 | 24.045 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 137 | LYS | 1 | 0.859 | 0.940 | 23.145 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 138 | ALA | 0 | -0.025 | -0.019 | 25.306 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 139 | GLN | 0 | -0.009 | -0.019 | 27.377 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 140 | SER | 0 | 0.019 | 0.007 | 29.598 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 141 | LYS | 1 | 0.832 | 0.918 | 30.569 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 142 | LEU | 0 | -0.013 | -0.001 | 30.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 143 | GLU | -1 | -0.793 | -0.895 | 32.463 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 144 | GLU | -1 | -0.878 | -0.942 | 35.427 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 145 | GLU | -1 | -0.897 | -0.930 | 34.022 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 146 | PHE | 0 | 0.027 | 0.016 | 36.318 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 147 | LYS | 1 | 0.847 | 0.914 | 38.200 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 148 | GLN | 0 | 0.016 | 0.005 | 38.433 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 149 | LEU | 0 | 0.006 | 0.007 | 38.305 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 150 | LEU | 0 | -0.020 | -0.002 | 41.185 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 151 | ALA | 0 | -0.006 | -0.001 | 43.833 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 152 | SER | 0 | -0.059 | -0.018 | 43.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 153 | TYR | 0 | -0.015 | -0.016 | 42.599 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 154 | SER | 0 | -0.034 | -0.036 | 47.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 155 | LYS | 1 | 0.844 | 0.919 | 49.332 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 157 | ALA | 0 | 0.036 | 0.013 | 53.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 158 | VAL | 0 | -0.043 | -0.021 | 56.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 159 | GLU | -1 | -0.787 | -0.889 | 58.407 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 160 | PRO | 0 | -0.031 | -0.024 | 61.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 161 | ASP | -1 | -0.909 | -0.953 | 62.666 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 162 | ARG | 1 | 0.822 | 0.933 | 55.263 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 198 | LEU | 0 | -0.006 | -0.014 | 54.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 199 | PRO | 0 | 0.078 | 0.036 | 56.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 200 | ILE | 0 | -0.037 | -0.005 | 50.320 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 201 | LEU | 0 | 0.071 | 0.053 | 51.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 202 | ILE | 0 | -0.010 | 0.004 | 45.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 203 | PRO | 0 | 0.003 | -0.002 | 45.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 204 | SER | 0 | 0.072 | 0.027 | 46.165 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 205 | ARG | 1 | 0.949 | 0.977 | 39.071 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 206 | VAL | 0 | -0.017 | -0.014 | 40.964 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 207 | LEU | 0 | 0.053 | 0.044 | 41.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 208 | PRO | 0 | 0.040 | 0.014 | 38.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 209 | LEU | 0 | -0.042 | -0.015 | 36.320 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 210 | LEU | 0 | 0.030 | 0.010 | 36.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 211 | HIS | 0 | -0.026 | 0.001 | 38.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 212 | ASP | -1 | -0.873 | -0.919 | 32.200 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 213 | LEU | 0 | -0.015 | -0.023 | 33.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 214 | ALA | 0 | 0.005 | -0.008 | 34.896 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 215 | GLN | 0 | -0.032 | -0.001 | 33.407 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 216 | GLN | 0 | -0.125 | -0.078 | 29.417 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 217 | MET | 0 | -0.064 | 0.003 | 32.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 218 | VAL | 0 | -0.013 | -0.007 | 33.474 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 219 | GLN | 0 | -0.043 | 0.005 | 36.151 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 220 | ALA | 0 | 0.100 | 0.019 | 35.927 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 221 | GLY | 0 | -0.098 | -0.027 | 37.587 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 222 | HIS | 0 | 0.023 | 0.017 | 38.717 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 223 | GLN | 0 | 0.014 | 0.003 | 41.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 224 | GLN | 0 | -0.048 | -0.026 | 41.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 225 | GLN | 0 | 0.048 | 0.009 | 37.732 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 226 | LEU | 0 | 0.003 | 0.007 | 39.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 227 | LEU | 0 | -0.008 | -0.012 | 41.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 228 | GLN | 0 | -0.098 | -0.044 | 44.593 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 229 | ILE | 0 | 0.010 | -0.001 | 41.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 230 | TYR | 0 | 0.019 | 0.005 | 44.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 231 | ARG | 1 | 0.909 | 0.949 | 46.923 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 232 | ASP | -1 | -0.869 | -0.917 | 48.581 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 233 | THR | 0 | -0.061 | -0.052 | 47.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 234 | ARG | 1 | 0.930 | 0.959 | 48.037 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 235 | SER | 0 | -0.011 | 0.014 | 51.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 236 | PHE | 0 | 0.045 | 0.031 | 53.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 237 | VAL | 0 | -0.022 | -0.017 | 52.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 238 | LEU | 0 | -0.021 | 0.057 | 55.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 239 | GLU | -1 | -0.884 | -0.951 | 56.867 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 240 | GLU | -1 | -0.906 | -0.963 | 58.217 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 241 | SER | 0 | -0.087 | -0.113 | 57.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 242 | LEU | 0 | -0.002 | -0.008 | 59.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 243 | LYS | 1 | 0.840 | 0.918 | 62.479 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 244 | LYS | 1 | 0.774 | 0.890 | 61.015 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 245 | LEU | 0 | -0.042 | -0.013 | 63.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 246 | GLY | 0 | -0.010 | -0.025 | 66.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 247 | VAL | 0 | -0.009 | 0.006 | 65.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 248 | GLU | -1 | -0.776 | -0.867 | 67.354 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 249 | LYS | 1 | 0.888 | 0.950 | 67.347 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 250 | LEU | 0 | -0.101 | -0.055 | 69.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 251 | SER | 0 | 0.041 | 0.023 | 69.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 252 | LYS | 1 | 0.969 | 0.974 | 71.703 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 253 | GLU | -1 | -0.790 | -0.889 | 74.584 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 254 | ASP | -1 | -0.949 | -0.964 | 77.484 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 255 | VAL | 0 | -0.012 | -0.016 | 76.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 256 | GLN | 0 | 0.076 | 0.042 | 78.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 257 | ARG | 1 | 0.980 | 1.000 | 79.997 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 258 | MET | 0 | -0.060 | -0.014 | 78.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 259 | GLN | 0 | -0.033 | -0.024 | 84.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 260 | TRP | 0 | 0.087 | 0.022 | 84.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 261 | GLU | -1 | -0.803 | -0.905 | 85.381 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 262 | VAL | 0 | -0.021 | -0.009 | 81.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 263 | LEU | 0 | -0.039 | -0.013 | 80.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 264 | GLU | -1 | -0.867 | -0.936 | 80.643 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 265 | ALA | 0 | 0.048 | 0.015 | 80.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 266 | LYS | 1 | 0.903 | 0.941 | 76.179 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 267 | ILE | 0 | 0.020 | 0.059 | 76.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 268 | GLY | 0 | 0.040 | 0.021 | 76.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 269 | ASN | 0 | -0.056 | -0.033 | 74.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 270 | TRP | 0 | 0.009 | 0.000 | 70.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 271 | ILE | 0 | 0.030 | 0.029 | 71.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 272 | HIS | 0 | 0.012 | 0.000 | 71.290 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 273 | PHE | 0 | 0.004 | 0.006 | 68.534 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 274 | MET | 0 | 0.038 | 0.033 | 67.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 275 | ARG | 1 | 0.893 | 0.946 | 66.551 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 276 | ILE | 0 | -0.030 | -0.021 | 64.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 277 | ALA | 0 | 0.040 | 0.014 | 63.011 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 278 | VAL | 0 | 0.084 | 0.033 | 61.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 279 | LYS | 1 | 0.824 | 0.912 | 61.003 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 280 | LEU | 0 | -0.043 | 0.001 | 58.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 281 | LEU | 0 | -0.018 | -0.013 | 57.268 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 282 | PHE | 0 | -0.010 | 0.010 | 56.421 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 283 | ALA | 0 | -0.023 | -0.014 | 54.690 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 284 | GLY | 0 | -0.002 | -0.008 | 52.791 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 285 | GLU | -1 | -0.806 | -0.908 | 51.549 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 286 | ARG | 1 | 0.880 | 0.944 | 49.350 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 287 | GLN | 0 | 0.008 | -0.014 | 47.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 288 | VAL | 0 | 0.015 | -0.001 | 46.926 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 289 | CYS | 0 | -0.099 | -0.052 | 46.305 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 290 | ASP | -1 | -0.963 | -0.968 | 45.224 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 291 | GLN | 0 | -0.009 | -0.017 | 41.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 292 | ILE | 0 | -0.024 | 0.006 | 41.335 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 293 | PHE | 0 | 0.028 | 0.005 | 40.361 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 294 | ARG | 1 | 0.906 | 0.955 | 41.268 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 295 | GLY | 0 | 0.053 | 0.042 | 37.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 296 | PHE | 0 | -0.064 | -0.049 | 36.966 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 297 | ASP | -1 | -0.868 | -0.935 | 36.077 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 298 | SER | 0 | 0.006 | -0.011 | 38.210 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 299 | LEU | 0 | -0.024 | -0.016 | 41.086 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 300 | SER | 0 | 0.043 | 0.014 | 44.872 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 301 | ASP | -1 | -0.853 | -0.938 | 47.049 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 302 | GLN | 0 | -0.053 | -0.046 | 48.261 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 303 | CYS | 0 | 0.017 | 0.030 | 46.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 304 | PHE | 0 | 0.057 | 0.032 | 49.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 305 | ALA | 0 | 0.043 | 0.016 | 52.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 306 | GLU | -1 | -0.865 | -0.926 | 49.136 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 307 | VAL | 0 | -0.022 | -0.013 | 50.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 308 | THR | 0 | -0.012 | -0.019 | 53.498 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 309 | VAL | 0 | 0.014 | 0.012 | 56.823 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 310 | SER | 0 | 0.039 | 0.023 | 58.041 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 311 | SER | 0 | 0.020 | -0.008 | 59.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 312 | VAL | 0 | -0.005 | -0.005 | 60.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 313 | SER | 0 | -0.015 | 0.007 | 62.558 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 314 | MET | 0 | -0.007 | 0.019 | 62.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 315 | LEU | 0 | 0.028 | 0.039 | 64.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 316 | LEU | 0 | -0.012 | -0.032 | 65.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 317 | SER | 0 | -0.083 | -0.062 | 68.393 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 318 | PHE | 0 | -0.056 | -0.039 | 70.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 319 | GLY | 0 | -0.023 | -0.005 | 72.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 320 | ASP | -1 | -0.845 | -0.877 | 72.945 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 321 | ALA | 0 | -0.102 | -0.072 | 75.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 322 | ILE | 0 | 0.043 | 0.023 | 78.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 323 | ALA | 0 | 0.076 | -0.004 | 78.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 324 | ARG | 1 | 0.771 | 0.870 | 80.802 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 325 | SER | 0 | -0.051 | -0.036 | 82.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 326 | LYS | 1 | 0.976 | 0.979 | 81.013 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 327 | ARG | 1 | 0.729 | 0.810 | 84.287 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 328 | SER | 0 | -0.034 | 0.016 | 86.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 329 | PRO | 0 | 0.088 | 0.039 | 88.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 330 | GLU | -1 | -0.883 | -0.933 | 89.951 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 331 | LYS | 1 | 0.802 | 0.905 | 84.867 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 332 | LEU | 0 | 0.021 | 0.015 | 84.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 333 | PHE | 0 | 0.005 | -0.013 | 84.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 334 | VAL | 0 | 0.091 | 0.048 | 80.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 335 | LEU | 0 | -0.042 | -0.019 | 80.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 336 | LEU | 0 | -0.017 | -0.026 | 79.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 337 | ASP | -1 | -0.746 | -0.819 | 79.225 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 338 | MET | 0 | -0.071 | -0.031 | 75.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 339 | TYR | 0 | -0.038 | -0.012 | 75.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 340 | GLU | -1 | -0.826 | -0.891 | 75.490 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 341 | ILE | 0 | -0.030 | -0.005 | 71.482 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 342 | MET | 0 | -0.034 | -0.011 | 69.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 343 | ARG | 1 | 0.887 | 0.937 | 70.620 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 344 | GLU | -1 | -0.963 | -0.977 | 70.342 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 345 | LEU | 0 | 0.020 | 0.010 | 66.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 346 | HIS | 0 | 0.023 | 0.023 | 66.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 347 | THR | 0 | 0.003 | -0.004 | 65.207 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 348 | GLU | -1 | -0.828 | -0.930 | 62.638 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 349 | ILE | 0 | 0.028 | 0.021 | 61.333 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 350 | GLU | -1 | -0.902 | -0.977 | 60.756 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 351 | THR | 0 | -0.109 | -0.051 | 58.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 352 | ILE | 0 | -0.071 | -0.039 | 56.865 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 353 | PHE | 0 | 0.037 | 0.002 | 55.899 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 354 | LYS | 1 | 0.915 | 0.974 | 53.428 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 355 | GLY | 0 | -0.010 | 0.029 | 54.591 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 356 | LYS | 1 | 0.931 | 0.952 | 53.221 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 357 | ALA | 0 | 0.006 | -0.008 | 52.315 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 358 | CYS | 0 | -0.001 | -0.012 | 54.271 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 359 | LEU | 0 | -0.006 | -0.004 | 56.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 360 | GLU | -1 | -0.761 | -0.872 | 59.612 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 361 | ILE | 0 | -0.018 | 0.039 | 58.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 362 | ARG | 1 | 0.850 | 0.947 | 59.735 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 363 | ASP | -1 | -0.889 | -0.954 | 63.364 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 364 | SER | 0 | 0.006 | -0.030 | 64.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 365 | ALA | 0 | 0.001 | 0.007 | 65.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 366 | THR | 0 | -0.001 | -0.004 | 67.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 367 | GLY | 0 | 0.004 | 0.006 | 69.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 368 | LEU | 0 | 0.013 | 0.000 | 69.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 369 | THR | 0 | -0.024 | -0.003 | 71.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 370 | LYS | 1 | 0.931 | 0.962 | 73.639 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 371 | ARG | 1 | 0.834 | 0.904 | 74.671 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 372 | LEU | 0 | 0.036 | 0.032 | 75.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 373 | ALA | 0 | 0.045 | 0.013 | 77.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 374 | GLN | 0 | -0.047 | -0.016 | 79.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 375 | THR | 0 | 0.009 | -0.009 | 80.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 376 | ALA | 0 | 0.075 | 0.028 | 82.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 377 | GLN | 0 | -0.006 | 0.054 | 83.135 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 378 | GLU | -1 | -0.861 | -0.917 | 84.772 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 379 | THR | 0 | -0.112 | -0.113 | 85.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 380 | PHE | 0 | 0.017 | -0.004 | 87.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 381 | GLY | 0 | 0.012 | 0.012 | 90.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 382 | ASP | -1 | -0.825 | -0.913 | 89.924 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 383 | PHE | 0 | -0.030 | -0.028 | 92.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 384 | GLU | -1 | -0.919 | -0.968 | 94.266 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 385 | GLU | -1 | -0.878 | -0.923 | 95.916 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 386 | ALA | 0 | -0.022 | -0.014 | 96.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 387 | VAL | 0 | -0.042 | -0.018 | 98.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 388 | GLU | -1 | -0.914 | -0.957 | 100.234 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 389 | LYS | 1 | 0.793 | 0.882 | 99.551 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 390 | ASP | -1 | -0.831 | -0.901 | 102.537 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 391 | ALA | 0 | -0.057 | -0.062 | 103.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 392 | THR | 0 | -0.126 | -0.041 | 105.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 393 | LYS | 1 | 1.079 | 1.012 | 106.578 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 394 | THR | 0 | -0.051 | -0.009 | 110.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 395 | ALA | 0 | 0.043 | 0.006 | 111.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 396 | VAL | 0 | -0.001 | 0.012 | 112.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 397 | LEU | 0 | -0.038 | -0.032 | 115.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 398 | ASP | -1 | -0.749 | -0.870 | 115.572 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 399 | GLY | 0 | -0.013 | -0.020 | 116.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 400 | THR | 0 | 0.011 | 0.035 | 112.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 401 | VAL | 0 | -0.009 | -0.013 | 107.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 402 | HIS | 0 | -0.025 | -0.013 | 107.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 403 | PRO | 0 | 0.045 | 0.004 | 104.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 404 | LEU | 0 | 0.067 | 0.051 | 101.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 405 | THR | 0 | 0.051 | 0.005 | 102.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 406 | SER | 0 | -0.032 | -0.021 | 102.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 407 | TYR | 0 | 0.039 | 0.027 | 94.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 408 | VAL | 0 | 0.042 | 0.027 | 98.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 409 | ILE | 0 | -0.083 | -0.037 | 98.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 410 | ASN | 0 | -0.021 | -0.025 | 96.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 411 | TYR | 0 | 0.065 | 0.042 | 90.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 412 | VAL | 0 | 0.010 | -0.003 | 93.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 413 | LYS | 1 | 0.787 | 0.884 | 92.273 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 414 | PHE | 0 | 0.006 | 0.010 | 89.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 415 | LEU | 0 | -0.037 | -0.006 | 89.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 416 | PHE | 0 | -0.058 | -0.037 | 89.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 417 | ASP | -1 | -0.828 | -0.899 | 87.883 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 418 | TYR | 0 | -0.085 | -0.049 | 83.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 419 | GLN | 0 | 0.053 | 0.037 | 85.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 420 | THR | 0 | -0.038 | -0.028 | 82.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 421 | THR | 0 | -0.028 | -0.048 | 80.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 422 | LEU | 0 | -0.002 | -0.009 | 82.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 423 | LYS | 1 | 0.869 | 0.939 | 83.792 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 424 | GLN | 0 | -0.066 | -0.046 | 77.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 425 | LEU | 0 | -0.012 | 0.004 | 80.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 426 | PHE | 0 | -0.026 | 0.012 | 80.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 434 | ASP | -1 | -0.852 | -0.919 | 85.397 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 435 | SER | 0 | -0.027 | -0.024 | 85.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 436 | ASN | 0 | -0.035 | -0.028 | 86.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 437 | SER | 0 | 0.018 | 0.014 | 89.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 438 | GLN | 0 | -0.002 | -0.023 | 85.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 439 | LEU | 0 | 0.040 | 0.042 | 89.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 440 | ALA | 0 | 0.060 | 0.029 | 91.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 441 | SER | 0 | -0.026 | -0.020 | 93.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 442 | VAL | 0 | -0.012 | 0.004 | 90.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 443 | THR | 0 | 0.020 | 0.007 | 94.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 444 | MET | 0 | -0.032 | -0.028 | 96.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 445 | ARG | 1 | 0.939 | 0.975 | 96.028 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 446 | ILE | 0 | 0.064 | 0.037 | 95.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 447 | MET | 0 | -0.065 | -0.018 | 98.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 448 | GLN | 0 | -0.042 | -0.030 | 101.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 449 | ALA | 0 | 0.050 | 0.030 | 100.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 450 | LEU | 0 | -0.010 | 0.000 | 102.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 451 | GLN | 0 | -0.085 | -0.063 | 103.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 452 | ASN | 0 | 0.047 | 0.034 | 105.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 453 | ASN | 0 | 0.027 | 0.036 | 105.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 454 | LEU | 0 | -0.078 | -0.039 | 107.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 455 | ASP | -1 | -0.940 | -0.983 | 109.519 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 456 | GLY | 0 | 0.047 | 0.024 | 110.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 457 | LYS | 1 | 0.818 | 0.916 | 107.112 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 458 | SER | 0 | -0.020 | 0.003 | 112.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 459 | LYS | 1 | 0.903 | 0.944 | 115.079 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 460 | GLN | 0 | -0.050 | -0.015 | 112.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 461 | TYR | 0 | 0.006 | 0.002 | 115.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 462 | LYS | 1 | 0.890 | 0.957 | 119.993 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 463 | ASP | -1 | -0.800 | -0.915 | 123.652 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 464 | PRO | 0 | 0.038 | -0.007 | 122.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 465 | ALA | 0 | 0.024 | 0.043 | 122.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 466 | LEU | 0 | 0.029 | 0.026 | 119.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 467 | THR | 0 | -0.053 | -0.037 | 118.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 468 | HIS | 0 | -0.034 | -0.041 | 117.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 469 | LEU | 0 | 0.016 | 0.013 | 118.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 470 | PHE | 0 | 0.060 | 0.033 | 111.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 471 | LEU | 0 | -0.037 | -0.014 | 112.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 472 | MET | 0 | -0.047 | -0.009 | 113.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 473 | ASN | 0 | 0.014 | -0.034 | 113.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 474 | ASN | 0 | 0.023 | 0.015 | 109.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 475 | ILE | 0 | 0.015 | 0.001 | 108.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 476 | HIS | 0 | -0.043 | -0.032 | 109.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 477 | TYR | 0 | -0.012 | 0.001 | 104.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 478 | MET | 0 | -0.015 | 0.001 | 104.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 479 | VAL | 0 | -0.001 | -0.003 | 104.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 480 | ARG | 1 | 0.961 | 0.974 | 104.433 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 481 | SER | 0 | -0.033 | -0.025 | 101.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 482 | VAL | 0 | 0.059 | 0.029 | 100.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 483 | ARG | 1 | 0.907 | 0.957 | 101.543 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 484 | ARG | 1 | 0.843 | 0.923 | 100.347 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 485 | SER | 0 | 0.010 | 0.019 | 96.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 486 | GLU | -1 | -0.887 | -0.944 | 93.571 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 487 | ALA | 0 | 0.033 | 0.022 | 97.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 488 | LYS | 1 | 0.853 | 0.906 | 95.477 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 489 | ASP | -1 | -0.784 | -0.882 | 93.703 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 490 | LEU | 0 | 0.005 | 0.010 | 93.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 491 | LEU | 0 | -0.062 | -0.044 | 96.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 492 | GLY | 0 | -0.015 | -0.005 | 99.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 493 | ASP | -1 | -0.923 | -0.963 | 102.018 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 494 | ASP | -1 | -0.831 | -0.927 | 105.359 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 495 | TRP | 0 | 0.030 | 0.019 | 103.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 496 | VAL | 0 | 0.034 | 0.007 | 104.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 497 | GLN | 0 | -0.008 | -0.003 | 107.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 498 | ARG | 1 | 0.964 | 0.984 | 106.959 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 499 | HIS | 0 | -0.002 | -0.007 | 106.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 500 | ARG | 1 | 0.917 | 0.967 | 110.509 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 501 | ARG | 1 | 0.940 | 0.964 | 112.602 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 502 | ILE | 0 | 0.036 | 0.015 | 111.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 503 | VAL | 0 | 0.009 | 0.021 | 112.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 504 | GLN | 0 | 0.015 | 0.008 | 115.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 505 | GLN | 0 | -0.037 | -0.021 | 117.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 506 | HIS | 0 | 0.067 | 0.042 | 114.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 507 | ALA | 0 | 0.062 | 0.027 | 119.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 508 | ASN | 0 | -0.056 | -0.036 | 121.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 509 | GLN | 0 | 0.043 | 0.039 | 122.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 510 | TYR | 0 | 0.024 | -0.004 | 122.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 511 | LYS | 1 | 0.928 | 0.966 | 123.384 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 512 | ARG | 1 | 0.894 | 0.952 | 125.932 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 513 | VAL | 0 | -0.054 | -0.015 | 125.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 514 | ALA | 0 | -0.006 | 0.013 | 127.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 515 | TRP | 0 | 0.070 | 0.023 | 128.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 516 | THR | 0 | -0.018 | -0.026 | 131.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 517 | LYS | 1 | 0.924 | 0.954 | 134.168 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 518 | ILE | 0 | 0.048 | 0.034 | 134.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 519 | LEU | 0 | 0.022 | 0.012 | 134.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 520 | GLN | 0 | -0.046 | -0.021 | 137.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 521 | SER | 0 | -0.059 | -0.019 | 140.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 522 | SER | 0 | 0.021 | 0.010 | 140.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 523 | SER | 0 | -0.037 | -0.011 | 142.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 524 | ALA | 0 | 0.020 | -0.010 | 143.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 525 | GLN | 0 | -0.019 | -0.011 | 142.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 526 | GLY | 0 | 0.020 | 0.001 | 146.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 527 | LEU | 0 | -0.122 | -0.059 | 148.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 528 | THR | 0 | 0.005 | -0.020 | 151.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 543 | VAL | 0 | 0.111 | 0.059 | 157.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 544 | SER | 0 | 0.000 | 0.011 | 155.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 545 | ARG | 1 | 0.978 | 1.010 | 155.387 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 546 | GLY | 0 | 0.021 | -0.004 | 154.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 547 | LEU | 0 | 0.097 | 0.032 | 152.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 548 | LEU | 0 | -0.044 | 0.010 | 150.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 549 | LYS | 1 | 0.908 | 0.958 | 149.965 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 550 | GLU | -1 | -0.808 | -0.883 | 149.195 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 551 | ARG | 1 | 0.937 | 0.980 | 144.875 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 552 | PHE | 0 | 0.017 | 0.007 | 145.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 553 | LYS | 1 | 0.787 | 0.885 | 144.680 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 554 | MET | 0 | 0.008 | 0.009 | 140.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 555 | PHE | 0 | 0.008 | 0.004 | 139.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 556 | ASN | 0 | 0.016 | -0.007 | 139.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 557 | MET | 0 | 0.004 | 0.012 | 139.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 558 | GLN | 0 | 0.029 | -0.001 | 137.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 559 | PHE | 0 | 0.039 | 0.009 | 133.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 560 | ASP | -1 | -0.759 | -0.870 | 134.312 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 561 | GLU | -1 | -0.917 | -0.963 | 133.677 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 562 | LEU | 0 | -0.070 | -0.052 | 130.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 563 | HIS | 0 | -0.006 | 0.007 | 129.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 564 | GLN | 0 | 0.024 | 0.004 | 129.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 565 | ARG | 1 | 0.861 | 0.959 | 127.645 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 566 | GLN | 0 | 0.005 | 0.004 | 125.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 567 | SER | 0 | 0.026 | 0.021 | 125.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 568 | GLN | 0 | -0.061 | -0.025 | 123.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 569 | TRP | 0 | -0.034 | -0.008 | 120.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 570 | THR | 0 | 0.042 | 0.011 | 115.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 571 | VAL | 0 | -0.038 | -0.003 | 116.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 572 | PRO | 0 | -0.025 | -0.018 | 112.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 573 | ASP | -1 | -0.853 | -0.921 | 112.772 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 574 | THR | 0 | 0.048 | 0.005 | 114.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 575 | GLU | -1 | -0.904 | -0.945 | 114.723 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 576 | LEU | 0 | -0.018 | -0.002 | 115.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 577 | ARG | 1 | 0.970 | 1.025 | 116.553 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 578 | GLU | -1 | -0.863 | -0.926 | 120.043 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 579 | SER | 0 | -0.120 | -0.091 | 120.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 580 | LEU | 0 | -0.052 | -0.042 | 120.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 581 | ARG | 1 | 0.828 | 0.899 | 123.471 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 582 | LEU | 0 | 0.049 | 0.028 | 125.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 583 | ALA | 0 | -0.052 | -0.024 | 125.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 584 | VAL | 0 | -0.025 | -0.030 | 127.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 585 | ALA | 0 | 0.055 | 0.025 | 129.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 586 | GLU | -1 | -0.981 | -0.996 | 130.408 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 587 | VAL | 0 | -0.054 | -0.008 | 130.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 588 | LEU | 0 | -0.021 | -0.005 | 133.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 589 | LEU | 0 | 0.007 | 0.001 | 135.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 590 | PRO | 0 | -0.011 | -0.009 | 135.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 591 | ALA | 0 | 0.045 | 0.024 | 138.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 592 | TYR | 0 | -0.004 | -0.030 | 139.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 593 | ARG | 1 | 0.985 | 0.990 | 137.742 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 594 | SER | 0 | -0.110 | -0.061 | 142.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 595 | PHE | 0 | -0.025 | -0.012 | 144.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 596 | LEU | 0 | 0.002 | -0.018 | 144.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 597 | LYS | 1 | 0.883 | 0.974 | 146.150 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 598 | ARG | 1 | 0.941 | 0.967 | 148.819 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 599 | PHE | 0 | -0.039 | -0.018 | 148.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 600 | GLY | 0 | 0.050 | 0.054 | 150.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 601 | PRO | 0 | -0.012 | -0.029 | 152.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 602 | LEU | 0 | 0.009 | 0.014 | 154.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 610 | GLN | 0 | 0.065 | 0.013 | 151.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 611 | LYS | 1 | 0.955 | 0.967 | 149.563 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 612 | TYR | 0 | 0.037 | 0.010 | 148.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 613 | ILE | 0 | -0.069 | -0.025 | 147.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 614 | LYS | 1 | 0.821 | 0.919 | 139.489 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 615 | TYR | 0 | 0.068 | 0.025 | 137.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 616 | THR | 0 | 0.035 | 0.057 | 141.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 617 | ALA | 0 | 0.002 | -0.012 | 139.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 618 | GLU | -1 | -0.790 | -0.878 | 136.196 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 619 | ASP | -1 | -0.850 | -0.932 | 136.279 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 620 | LEU | 0 | -0.050 | -0.033 | 136.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 621 | GLU | -1 | -0.948 | -0.981 | 132.570 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 622 | ARG | 1 | 0.825 | 0.895 | 132.010 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 623 | LEU | 0 | 0.014 | 0.018 | 131.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 624 | LEU | 0 | -0.078 | -0.041 | 130.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 625 | GLY | 0 | -0.012 | -0.013 | 127.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 626 | GLU | -1 | -0.912 | -0.956 | 126.293 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 627 | LEU | 0 | -0.050 | -0.006 | 125.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 628 | PHE | 0 | -0.062 | -0.037 | 120.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 629 | GLU | -1 | -0.823 | -0.880 | 120.310 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |