FMODB ID: 52Q6Z
Calculation Name: 5DSE-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5DSE
Chain ID: A
UniProt ID: Q9BYI3
Base Structure: X-ray
Registration Date: 2023-06-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 542 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9987261.703178 |
---|---|
FMO2-HF: Nuclear repulsion | 9771537.536706 |
FMO2-HF: Total energy | -215724.166472 |
FMO2-MP2: Total energy | -216346.762351 |
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:140:VAL)
Summations of interaction energy for
fragment #1(A:140:VAL)
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. |
-5.693 | -1.572 | 0.042 | -1.487 | -2.68 | 0.004 |
Interaction energy analysis for fragmet #1(A:140:VAL)
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 | 142 | ALA | 0 | 0.018 | 0.018 | 3.239 | -4.044 | -1.746 | 0.005 | -1.039 | -1.265 | 0.005 |
4 | A | 143 | GLU | -1 | -0.812 | -0.932 | 3.248 | -4.107 | -2.945 | 0.036 | -0.278 | -0.921 | -0.001 |
5 | A | 144 | ALA | 0 | -0.006 | 0.026 | 3.617 | 0.168 | 0.558 | 0.003 | -0.136 | -0.258 | 0.000 |
6 | A | 145 | TYR | 0 | -0.006 | -0.018 | 5.613 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 146 | ALA | 0 | 0.035 | 0.019 | 7.921 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 147 | THR | 0 | -0.014 | -0.020 | 7.386 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 148 | LYS | 1 | 0.940 | 0.979 | 9.720 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 149 | GLY | 0 | 0.032 | 0.002 | 11.537 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 150 | LEU | 0 | -0.004 | 0.000 | 11.290 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 151 | CYS | 0 | -0.086 | -0.052 | 12.882 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 152 | LEU | 0 | -0.051 | -0.021 | 15.229 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 153 | GLU | -1 | -0.824 | -0.826 | 17.516 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 171 | ASP | -1 | -0.902 | -0.965 | 18.803 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 172 | VAL | 0 | 0.049 | 0.023 | 16.991 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 173 | ILE | 0 | 0.001 | -0.009 | 16.179 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 174 | THR | 0 | 0.040 | 0.033 | 16.601 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 175 | CYS | 0 | -0.083 | -0.025 | 12.812 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 176 | TYR | 0 | -0.020 | -0.054 | 11.704 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 177 | GLU | -1 | -0.790 | -0.854 | 12.378 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 178 | LYS | 1 | 0.942 | 0.974 | 10.927 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 179 | ALA | 0 | -0.025 | -0.008 | 7.884 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 180 | GLY | 0 | 0.020 | 0.005 | 7.980 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 181 | ASP | -1 | -0.814 | -0.884 | 10.263 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 182 | ILE | 0 | -0.041 | -0.036 | 5.330 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 183 | ALA | 0 | 0.007 | 0.009 | 6.157 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 184 | LEU | 0 | 0.005 | 0.000 | 7.154 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 185 | LEU | 0 | -0.027 | -0.011 | 8.977 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 186 | TYR | 0 | 0.021 | 0.006 | 4.350 | -0.417 | -0.178 | -0.001 | -0.032 | -0.207 | 0.000 |
31 | A | 187 | LEU | 0 | 0.007 | 0.004 | 7.275 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 188 | GLN | 0 | -0.034 | -0.024 | 9.767 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 189 | GLU | -1 | -0.998 | -1.004 | 9.125 | 1.378 | 1.378 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 190 | ILE | 0 | -0.015 | -0.011 | 7.136 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 191 | GLU | -1 | -0.883 | -0.952 | 10.879 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 192 | ARG | 1 | 0.845 | 0.950 | 12.601 | -0.662 | -0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 193 | VAL | 0 | -0.005 | 0.015 | 12.582 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 214 | LEU | 0 | 0.037 | 0.010 | 11.925 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 215 | GLY | 0 | -0.004 | -0.015 | 8.863 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 216 | PHE | 0 | 0.093 | 0.057 | 9.795 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 217 | PHE | 0 | 0.010 | -0.003 | 7.333 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 218 | LEU | 0 | -0.003 | 0.006 | 4.592 | 0.129 | 0.161 | -0.001 | -0.002 | -0.029 | 0.000 |
43 | A | 219 | GLU | -1 | -0.915 | -0.946 | 8.398 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 220 | THR | 0 | -0.074 | -0.049 | 11.994 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 221 | GLY | 0 | 0.002 | -0.006 | 9.880 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 222 | LEU | 0 | -0.029 | -0.006 | 10.164 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 223 | GLN | 0 | -0.047 | -0.019 | 12.325 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 224 | ARG | 1 | 0.746 | 0.837 | 15.115 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 225 | ALA | 0 | 0.069 | 0.030 | 15.523 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 226 | HIS | 0 | 0.104 | 0.029 | 17.377 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 227 | VAL | 0 | -0.045 | -0.007 | 19.784 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 228 | LEU | 0 | 0.007 | -0.003 | 18.900 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 229 | TYR | 0 | -0.039 | -0.048 | 19.992 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 230 | PHE | 0 | -0.011 | -0.004 | 23.463 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 231 | LYS | 1 | 0.889 | 0.949 | 23.843 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 232 | ASN | 0 | -0.047 | -0.013 | 25.697 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 233 | GLY | 0 | 0.038 | 0.034 | 27.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 234 | ASN | 0 | -0.060 | -0.020 | 26.892 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 235 | LEU | 0 | 0.074 | 0.027 | 27.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 236 | THR | 0 | 0.007 | 0.001 | 27.480 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 237 | ARG | 1 | 0.938 | 0.961 | 22.106 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 238 | GLY | 0 | 0.024 | 0.019 | 22.962 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 239 | VAL | 0 | 0.010 | -0.005 | 23.230 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 240 | GLY | 0 | 0.021 | 0.017 | 23.693 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 241 | ARG | 1 | 0.842 | 0.897 | 13.526 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 242 | PHE | 0 | 0.000 | -0.023 | 19.477 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 243 | ARG | 1 | 0.799 | 0.878 | 21.289 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 244 | GLU | -1 | -0.913 | -0.944 | 17.817 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 245 | LEU | 0 | -0.049 | -0.034 | 14.754 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 246 | LEU | 0 | -0.057 | -0.025 | 17.743 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 247 | ARG | 1 | 0.937 | 0.973 | 20.675 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 248 | ALA | 0 | -0.044 | 0.005 | 15.770 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 249 | VAL | 0 | 0.000 | -0.011 | 17.742 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 250 | GLU | -1 | -0.853 | -0.909 | 17.119 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 251 | THR | 0 | -0.003 | 0.009 | 13.496 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 252 | ARG | 1 | 0.919 | 0.952 | 16.711 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 253 | THR | 0 | -0.013 | -0.002 | 12.883 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 254 | THR | 0 | 0.008 | -0.001 | 13.524 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 255 | GLN | 0 | 0.038 | 0.024 | 16.055 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 256 | ASN | 0 | 0.030 | 0.005 | 19.439 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 257 | LEU | 0 | 0.039 | 0.022 | 14.852 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 258 | ARG | 1 | 0.886 | 0.910 | 18.332 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 259 | MET | 0 | -0.021 | 0.014 | 20.520 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 260 | THR | 0 | -0.027 | -0.017 | 21.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 261 | ILE | 0 | 0.006 | 0.001 | 18.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 262 | ALA | 0 | 0.021 | 0.021 | 22.723 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 263 | ARG | 1 | 0.931 | 0.961 | 25.399 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 264 | GLN | 0 | -0.029 | -0.025 | 23.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 265 | LEU | 0 | 0.021 | 0.012 | 25.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 266 | ALA | 0 | 0.045 | 0.025 | 27.424 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 267 | GLU | -1 | -0.863 | -0.916 | 30.391 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 268 | ILE | 0 | -0.043 | -0.025 | 27.448 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 269 | LEU | 0 | 0.002 | 0.011 | 29.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 270 | LEU | 0 | -0.010 | -0.001 | 32.925 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 271 | ARG | 1 | 0.813 | 0.878 | 32.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 272 | GLY | 0 | -0.020 | -0.002 | 34.521 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 273 | MET | 0 | -0.046 | 0.003 | 32.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 274 | CYS | 0 | -0.026 | -0.001 | 36.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 275 | GLU | -1 | -0.781 | -0.903 | 38.036 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 276 | GLN | 0 | -0.016 | -0.015 | 39.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 277 | SER | 0 | -0.018 | -0.014 | 36.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 278 | TYR | 0 | -0.051 | -0.042 | 31.558 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 279 | TRP | 0 | 0.030 | 0.026 | 28.214 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 280 | ASN | 0 | 0.051 | 0.007 | 31.523 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 281 | PRO | 0 | -0.028 | -0.022 | 26.554 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 282 | LEU | 0 | -0.064 | -0.048 | 26.375 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 283 | GLU | -1 | -0.914 | -0.940 | 28.192 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 284 | ASP | -1 | -0.920 | -0.957 | 27.878 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 285 | PRO | 0 | -0.058 | -0.026 | 28.117 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 319 | PHE | 0 | -0.027 | -0.024 | 30.455 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 320 | CYS | 0 | -0.011 | -0.002 | 30.530 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 321 | PRO | 0 | -0.032 | -0.015 | 30.691 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 322 | GLN | 0 | 0.021 | 0.026 | 33.402 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 323 | GLU | -1 | -0.862 | -0.905 | 36.020 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 324 | ASN | 0 | 0.024 | 0.001 | 34.944 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 325 | THR | 0 | -0.047 | -0.054 | 34.944 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 326 | GLU | -1 | -0.849 | -0.921 | 35.719 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 327 | GLU | -1 | -0.740 | -0.827 | 28.360 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 328 | ALA | 0 | 0.005 | 0.000 | 31.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 329 | LEU | 0 | -0.001 | -0.010 | 32.624 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 330 | LEU | 0 | -0.004 | 0.010 | 29.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 331 | LEU | 0 | 0.010 | 0.003 | 26.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 332 | LEU | 0 | -0.021 | 0.004 | 29.119 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 333 | LEU | 0 | 0.027 | 0.013 | 31.716 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 334 | ILE | 0 | 0.007 | 0.012 | 25.745 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 335 | SER | 0 | -0.038 | -0.044 | 27.360 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 336 | GLU | -1 | -0.816 | -0.886 | 28.401 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 337 | SER | 0 | -0.052 | -0.038 | 29.361 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 338 | MET | 0 | -0.061 | -0.030 | 22.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 339 | ALA | 0 | -0.029 | -0.001 | 26.985 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 340 | ASN | 0 | -0.040 | -0.011 | 29.175 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 341 | ARG | 1 | 0.963 | 0.994 | 28.984 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 363 | SER | 0 | 0.041 | 0.010 | 34.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 364 | VAL | 0 | 0.041 | 0.013 | 32.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 365 | VAL | 0 | 0.023 | 0.003 | 30.826 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 366 | TYR | 0 | 0.029 | -0.006 | 33.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 367 | ASP | -1 | -0.808 | -0.877 | 37.420 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 368 | LEU | 0 | -0.044 | -0.012 | 32.927 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 369 | LEU | 0 | 0.008 | 0.008 | 35.694 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 370 | THR | 0 | -0.034 | -0.044 | 38.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 371 | ILE | 0 | -0.012 | -0.001 | 38.907 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 372 | ALA | 0 | -0.031 | -0.014 | 37.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 373 | LEU | 0 | 0.008 | -0.005 | 39.961 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 374 | GLY | 0 | 0.013 | 0.017 | 42.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 375 | ARG | 1 | 0.855 | 0.918 | 39.256 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 376 | ARG | 1 | 0.829 | 0.896 | 41.070 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 377 | GLY | 0 | 0.025 | 0.029 | 45.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 378 | GLN | 0 | -0.051 | -0.023 | 44.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 379 | TYR | 0 | 0.043 | 0.003 | 45.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 380 | GLU | -1 | -0.817 | -0.891 | 47.387 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 381 | MET | 0 | 0.068 | 0.049 | 38.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 382 | LEU | 0 | 0.001 | 0.025 | 42.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 383 | SER | 0 | -0.057 | -0.043 | 43.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 384 | GLU | -1 | -0.871 | -0.950 | 43.265 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 385 | CYS | 0 | -0.097 | -0.053 | 39.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 386 | LEU | 0 | 0.022 | -0.002 | 40.363 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 387 | GLU | -1 | -0.816 | -0.865 | 42.449 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 388 | ARG | 1 | 0.752 | 0.850 | 36.464 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 389 | ALA | 0 | -0.014 | 0.002 | 38.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 390 | MET | 0 | -0.049 | -0.017 | 39.906 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 391 | LYS | 1 | 0.896 | 0.956 | 39.957 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 392 | PHE | 0 | -0.006 | -0.007 | 34.678 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 393 | ALA | 0 | -0.007 | 0.023 | 39.163 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 394 | PHE | 0 | 0.029 | 0.014 | 41.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 395 | GLU | -1 | -0.826 | -0.903 | 44.341 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 396 | GLU | -1 | -0.953 | -0.971 | 41.529 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 397 | PHE | 0 | 0.019 | -0.015 | 46.266 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 398 | HIS | 0 | -0.024 | -0.029 | 41.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 399 | LEU | 0 | 0.039 | 0.021 | 39.948 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 400 | TRP | 0 | 0.033 | 0.014 | 44.253 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 401 | TYR | 0 | 0.016 | -0.010 | 47.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 402 | GLN | 0 | 0.020 | 0.015 | 43.155 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 403 | PHE | 0 | 0.015 | -0.003 | 45.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 404 | ALA | 0 | 0.013 | 0.011 | 47.335 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 405 | LEU | 0 | 0.003 | 0.000 | 49.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 406 | SER | 0 | -0.024 | -0.014 | 46.826 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 407 | LEU | 0 | -0.021 | -0.019 | 48.851 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 408 | MET | 0 | -0.072 | -0.037 | 51.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 409 | ALA | 0 | -0.034 | -0.010 | 50.589 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 410 | ALA | 0 | -0.027 | -0.003 | 49.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 411 | GLY | 0 | 0.021 | 0.017 | 51.885 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 412 | LYS | 1 | 0.784 | 0.891 | 50.820 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 413 | SER | 0 | 0.060 | 0.020 | 55.251 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 414 | ALA | 0 | 0.044 | 0.019 | 58.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 415 | ARG | 1 | 0.807 | 0.861 | 48.836 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 416 | ALA | 0 | 0.086 | 0.051 | 53.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 417 | VAL | 0 | 0.021 | 0.010 | 54.971 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 418 | LYS | 1 | 0.898 | 0.946 | 55.810 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 419 | VAL | 0 | 0.076 | 0.037 | 50.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 420 | LEU | 0 | 0.029 | 0.019 | 53.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 421 | LYS | 1 | 0.830 | 0.910 | 55.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 422 | GLU | -1 | -0.876 | -0.930 | 53.145 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 423 | CYS | 0 | -0.031 | -0.007 | 52.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 424 | ILE | 0 | -0.030 | -0.010 | 54.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 425 | ARG | 1 | 0.737 | 0.846 | 53.179 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 426 | LEU | 0 | -0.046 | -0.011 | 49.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 427 | LYS | 1 | 0.825 | 0.909 | 51.821 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 428 | PRO | 0 | 0.067 | 0.040 | 55.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 429 | ASP | -1 | -0.868 | -0.939 | 55.555 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 430 | ASP | -1 | -0.841 | -0.901 | 55.022 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 431 | ALA | 0 | 0.056 | 0.025 | 57.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 432 | THR | 0 | -0.011 | -0.040 | 56.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 433 | ILE | 0 | 0.026 | 0.027 | 54.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 434 | PRO | 0 | 0.007 | 0.008 | 57.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 435 | LEU | 0 | 0.019 | 0.008 | 61.241 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 436 | LEU | 0 | -0.017 | -0.007 | 55.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 437 | ALA | 0 | 0.005 | 0.010 | 59.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 438 | ALA | 0 | 0.036 | 0.011 | 60.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 439 | LYS | 1 | 0.945 | 0.979 | 59.967 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 440 | LEU | 0 | -0.050 | -0.025 | 57.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 441 | CYS | 0 | -0.113 | -0.050 | 62.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 442 | MET | 0 | -0.019 | -0.012 | 64.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 443 | GLY | 0 | -0.001 | 0.024 | 65.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 444 | SER | 0 | -0.015 | -0.020 | 62.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 445 | LEU | 0 | -0.061 | -0.029 | 61.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 446 | HIS | 0 | -0.001 | -0.005 | 65.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 447 | TRP | 0 | -0.038 | -0.015 | 61.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 448 | LEU | 0 | 0.068 | 0.020 | 68.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 449 | GLU | -1 | -0.838 | -0.909 | 70.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 450 | GLU | -1 | -0.812 | -0.900 | 65.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 451 | ALA | 0 | 0.017 | 0.008 | 66.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 452 | GLU | -1 | -0.760 | -0.843 | 67.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 453 | LYS | 1 | 0.803 | 0.886 | 67.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 454 | PHE | 0 | 0.000 | -0.001 | 61.448 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 455 | ALA | 0 | 0.013 | 0.005 | 65.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 456 | LYS | 1 | 0.893 | 0.939 | 68.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 457 | THR | 0 | -0.067 | -0.042 | 63.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 458 | VAL | 0 | -0.057 | -0.024 | 63.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 459 | VAL | 0 | -0.011 | 0.008 | 65.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 460 | ASP | -1 | -0.885 | -0.956 | 68.803 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 461 | VAL | 0 | -0.064 | -0.019 | 64.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 462 | GLY | 0 | -0.024 | -0.015 | 64.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 463 | GLU | -1 | -0.826 | -0.944 | 65.393 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 464 | LYS | 1 | 0.832 | 0.926 | 61.104 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 465 | THR | 0 | -0.028 | -0.009 | 62.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 466 | SER | 0 | 0.062 | 0.013 | 65.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 467 | GLU | -1 | -0.788 | -0.868 | 64.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 468 | PHE | 0 | 0.009 | -0.016 | 59.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 469 | LYS | 1 | 0.835 | 0.956 | 65.319 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 470 | ALA | 0 | 0.018 | 0.012 | 68.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 471 | LYS | 1 | 0.830 | 0.880 | 64.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 472 | GLY | 0 | 0.018 | 0.016 | 67.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 473 | TYR | 0 | 0.000 | -0.013 | 68.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 474 | LEU | 0 | -0.002 | 0.012 | 68.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 475 | ALA | 0 | 0.003 | 0.000 | 67.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 476 | LEU | 0 | 0.001 | 0.004 | 69.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 477 | GLY | 0 | 0.018 | 0.007 | 72.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 478 | LEU | 0 | -0.012 | -0.015 | 69.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 479 | THR | 0 | -0.017 | -0.013 | 70.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 480 | TYR | 0 | -0.074 | -0.063 | 72.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 481 | SER | 0 | -0.011 | -0.017 | 76.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 482 | LEU | 0 | -0.030 | -0.016 | 71.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 483 | GLN | 0 | -0.009 | -0.021 | 73.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 484 | ALA | 0 | -0.015 | -0.009 | 77.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 485 | THR | 0 | -0.052 | -0.028 | 78.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 486 | ASP | -1 | -0.828 | -0.901 | 75.758 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 487 | ALA | 0 | -0.087 | -0.023 | 78.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 488 | SER | 0 | 0.019 | 0.005 | 81.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 489 | LEU | 0 | 0.014 | 0.005 | 84.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 490 | ARG | 1 | 0.972 | 0.973 | 86.810 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 491 | GLY | 0 | 0.005 | 0.016 | 88.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 492 | MET | 0 | -0.031 | -0.023 | 82.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 493 | GLN | 0 | 0.039 | 0.017 | 83.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 494 | GLU | -1 | -0.834 | -0.911 | 84.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 495 | VAL | 0 | -0.083 | -0.046 | 83.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 496 | LEU | 0 | -0.005 | -0.001 | 78.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 497 | GLN | 0 | 0.044 | 0.023 | 80.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 498 | ARG | 1 | 0.946 | 0.977 | 82.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 499 | LYS | 1 | 0.912 | 0.970 | 79.303 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 500 | ALA | 0 | 0.019 | 0.010 | 78.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 501 | LEU | 0 | -0.017 | 0.004 | 78.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 502 | LEU | 0 | -0.003 | -0.003 | 80.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 503 | ALA | 0 | -0.019 | -0.008 | 75.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 504 | PHE | 0 | 0.046 | 0.010 | 73.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 505 | GLN | 0 | 0.012 | 0.009 | 77.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 506 | ARG | 1 | 0.908 | 0.961 | 76.455 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 507 | ALA | 0 | 0.024 | 0.010 | 72.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 508 | HIS | 0 | 0.008 | -0.002 | 73.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 509 | SER | 0 | -0.105 | -0.049 | 76.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 510 | LEU | 0 | -0.084 | -0.040 | 72.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 511 | SER | 0 | -0.021 | -0.032 | 69.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 512 | PRO | 0 | 0.012 | 0.019 | 72.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 513 | THR | 0 | 0.013 | -0.003 | 70.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 514 | ASP | -1 | -0.805 | -0.882 | 69.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 515 | HIS | 0 | 0.023 | -0.007 | 69.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 516 | GLN | 0 | 0.014 | 0.010 | 66.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 517 | ALA | 0 | 0.012 | 0.007 | 71.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 518 | ALA | 0 | 0.018 | 0.019 | 73.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 519 | PHE | 0 | 0.032 | 0.012 | 74.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 520 | TYR | 0 | 0.008 | -0.029 | 70.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 521 | LEU | 0 | -0.031 | 0.002 | 76.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 522 | ALA | 0 | -0.003 | -0.004 | 79.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 523 | LEU | 0 | -0.014 | 0.001 | 76.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 524 | GLN | 0 | 0.031 | 0.014 | 79.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 525 | LEU | 0 | -0.024 | -0.003 | 81.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 526 | ALA | 0 | 0.026 | 0.014 | 82.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 527 | ILE | 0 | -0.056 | -0.023 | 79.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 528 | SER | 0 | -0.088 | -0.045 | 84.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 529 | ARG | 1 | 0.851 | 0.935 | 87.134 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 530 | GLN | 0 | -0.045 | -0.017 | 87.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 531 | ILE | 0 | 0.021 | -0.006 | 87.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 532 | PRO | 0 | 0.032 | 0.015 | 88.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 533 | GLU | -1 | -0.814 | -0.909 | 87.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 534 | ALA | 0 | 0.003 | 0.008 | 84.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 535 | LEU | 0 | 0.007 | 0.000 | 83.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 536 | GLY | 0 | -0.026 | -0.004 | 84.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 537 | TYR | 0 | -0.003 | -0.020 | 80.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 538 | VAL | 0 | 0.043 | 0.023 | 79.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 539 | ARG | 1 | 0.931 | 0.964 | 79.924 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 540 | GLN | 0 | 0.011 | 0.013 | 79.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 541 | ALA | 0 | 0.005 | -0.005 | 75.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 542 | LEU | 0 | -0.008 | -0.006 | 75.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 543 | GLN | 0 | -0.065 | -0.032 | 76.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 544 | LEU | 0 | -0.096 | -0.019 | 73.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 545 | GLN | 0 | -0.045 | -0.033 | 68.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 546 | GLY | 0 | 0.024 | 0.016 | 72.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 547 | ASP | -1 | -0.876 | -0.935 | 69.702 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 548 | ASP | -1 | -0.789 | -0.859 | 71.346 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 549 | ALA | 0 | 0.044 | 0.020 | 71.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 550 | ASN | 0 | -0.035 | -0.030 | 71.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 551 | SER | 0 | 0.015 | -0.027 | 74.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 552 | LEU | 0 | 0.029 | 0.024 | 75.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 553 | HIS | 0 | 0.019 | 0.026 | 76.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 554 | LEU | 0 | -0.001 | -0.002 | 78.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 555 | LEU | 0 | -0.005 | 0.003 | 80.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 556 | ALA | 0 | 0.017 | 0.012 | 81.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 557 | LEU | 0 | -0.023 | -0.009 | 81.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 558 | LEU | 0 | 0.002 | 0.009 | 83.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 559 | LEU | 0 | -0.003 | 0.003 | 86.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 560 | SER | 0 | -0.047 | -0.028 | 87.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 561 | ALA | 0 | -0.003 | -0.003 | 88.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 562 | GLN | 0 | -0.086 | -0.040 | 90.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 563 | LYS | 1 | 0.822 | 0.923 | 92.516 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 564 | HIS | 0 | 0.021 | 0.024 | 91.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 565 | TYR | 0 | 0.037 | -0.010 | 90.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 566 | HIS | 0 | 0.063 | 0.023 | 89.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 567 | ASP | -1 | -0.906 | -0.945 | 88.888 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 568 | ALA | 0 | -0.008 | -0.007 | 86.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 569 | LEU | 0 | -0.009 | -0.008 | 84.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 570 | ASN | 0 | 0.009 | 0.000 | 84.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 571 | ILE | 0 | -0.004 | 0.004 | 81.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 572 | ILE | 0 | -0.036 | -0.015 | 79.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 573 | ASP | -1 | -0.780 | -0.890 | 79.426 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 574 | MET | 0 | -0.023 | 0.007 | 78.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 575 | ALA | 0 | 0.032 | 0.021 | 76.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 576 | LEU | 0 | -0.020 | -0.012 | 74.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 577 | SER | 0 | -0.116 | -0.069 | 74.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 578 | GLU | -1 | -0.900 | -0.951 | 71.933 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 579 | TYR | 0 | -0.143 | -0.077 | 68.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 580 | PRO | 0 | 0.025 | 0.015 | 70.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 581 | GLU | -1 | -0.894 | -0.964 | 67.679 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 582 | ASN | 0 | -0.060 | -0.015 | 70.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 583 | PHE | 0 | 0.070 | 0.005 | 69.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 584 | ILE | 0 | -0.008 | -0.001 | 72.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 585 | LEU | 0 | 0.021 | 0.018 | 74.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 586 | LEU | 0 | 0.043 | 0.023 | 75.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 587 | PHE | 0 | -0.013 | -0.014 | 75.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 588 | SER | 0 | -0.010 | -0.029 | 79.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 589 | LYS | 1 | 0.787 | 0.897 | 81.194 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 590 | VAL | 0 | 0.003 | 0.000 | 82.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 591 | LYS | 1 | 0.823 | 0.900 | 84.268 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 592 | LEU | 0 | 0.036 | 0.013 | 84.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 593 | GLN | 0 | 0.069 | 0.064 | 85.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 594 | SER | 0 | -0.026 | -0.023 | 88.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 595 | LEU | 0 | -0.066 | -0.015 | 89.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 596 | CYS | 0 | -0.100 | -0.043 | 90.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 597 | ARG | 1 | 0.842 | 0.919 | 89.706 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 598 | GLY | 0 | 0.059 | 0.039 | 92.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 599 | PRO | 0 | -0.008 | -0.015 | 91.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 600 | ASP | -1 | -0.878 | -0.947 | 89.813 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 601 | GLU | -1 | -0.842 | -0.927 | 88.146 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 602 | ALA | 0 | 0.041 | 0.032 | 86.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 603 | LEU | 0 | 0.011 | 0.005 | 84.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 604 | LEU | 0 | -0.041 | -0.021 | 84.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 605 | THR | 0 | -0.011 | -0.041 | 80.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 606 | CYS | 0 | -0.039 | -0.014 | 80.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 607 | LYS | 1 | 0.933 | 0.956 | 79.729 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 608 | HIS | 0 | 0.032 | 0.029 | 76.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 609 | MET | 0 | 0.024 | 0.019 | 76.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 610 | LEU | 0 | -0.042 | -0.016 | 74.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 611 | GLN | 0 | -0.049 | -0.032 | 74.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 612 | ILE | 0 | 0.094 | 0.051 | 70.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 613 | TRP | 0 | -0.041 | -0.014 | 69.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 614 | LYS | 1 | 0.931 | 0.951 | 69.692 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 615 | SER | 0 | -0.076 | -0.002 | 68.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 616 | CYS | 0 | -0.015 | 0.000 | 65.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 617 | TYR | 0 | -0.097 | -0.070 | 64.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 689 | LEU | 0 | 0.065 | 0.025 | 60.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 690 | HIS | 1 | 0.860 | 0.896 | 64.476 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 691 | PRO | 0 | 0.126 | 0.106 | 66.072 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 692 | TRP | 0 | 0.068 | 0.021 | 66.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 693 | MET | 0 | 0.008 | -0.001 | 71.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 694 | THR | 0 | 0.034 | 0.021 | 71.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 695 | LEU | 0 | 0.044 | 0.033 | 73.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 696 | ALA | 0 | 0.010 | -0.003 | 74.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 697 | GLN | 0 | 0.016 | 0.000 | 76.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 698 | ILE | 0 | -0.009 | 0.012 | 75.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 699 | TRP | 0 | -0.013 | -0.009 | 77.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 700 | LEU | 0 | 0.011 | -0.007 | 80.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 701 | HIS | 0 | 0.035 | 0.029 | 81.288 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 702 | ALA | 0 | 0.030 | 0.009 | 83.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 703 | ALA | 0 | -0.026 | -0.019 | 85.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 704 | GLU | -1 | -0.843 | -0.922 | 85.264 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 705 | VAL | 0 | -0.014 | 0.011 | 87.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 706 | TYR | 0 | -0.007 | -0.022 | 87.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 707 | ILE | 0 | -0.027 | -0.015 | 91.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 708 | GLY | 0 | -0.002 | 0.005 | 92.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 709 | ILE | 0 | -0.084 | -0.032 | 92.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 710 | GLY | 0 | 0.057 | 0.024 | 95.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 711 | LYS | 1 | 0.802 | 0.897 | 94.178 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 712 | PRO | 0 | 0.078 | 0.026 | 93.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 713 | ALA | 0 | -0.009 | 0.022 | 92.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 714 | GLU | -1 | -0.766 | -0.886 | 89.920 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 715 | ALA | 0 | 0.050 | 0.037 | 88.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 716 | THR | 0 | -0.008 | -0.026 | 88.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 717 | ALA | 0 | -0.015 | 0.001 | 86.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 718 | CYS | 0 | -0.053 | -0.027 | 83.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 719 | THR | 0 | -0.001 | -0.028 | 83.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 720 | GLN | 0 | -0.018 | -0.009 | 82.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 721 | GLU | -1 | -0.871 | -0.928 | 79.492 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 722 | ALA | 0 | -0.031 | -0.024 | 78.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 723 | ALA | 0 | -0.062 | -0.017 | 78.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 724 | ASN | 0 | -0.025 | -0.009 | 77.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 725 | LEU | 0 | -0.075 | -0.019 | 73.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 726 | PHE | 0 | -0.057 | -0.046 | 71.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 727 | PRO | 0 | 0.043 | 0.025 | 76.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 728 | MET | 0 | 0.006 | 0.001 | 79.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 729 | SER | 0 | 0.018 | 0.012 | 78.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 730 | HIS | 0 | 0.091 | 0.032 | 79.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 731 | ASN | 0 | -0.047 | -0.021 | 79.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 732 | VAL | 0 | 0.044 | 0.020 | 80.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 733 | LEU | 0 | -0.009 | 0.002 | 83.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 734 | TYR | 0 | -0.003 | -0.009 | 86.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 735 | MET | 0 | 0.002 | -0.001 | 85.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 736 | ARG | 1 | 0.905 | 0.967 | 84.278 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 737 | GLY | 0 | 0.030 | 0.015 | 89.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 738 | GLN | 0 | -0.008 | -0.010 | 90.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 739 | ILE | 0 | -0.025 | -0.009 | 89.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 740 | ALA | 0 | -0.039 | -0.010 | 93.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 741 | GLU | -1 | -0.742 | -0.824 | 95.793 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 742 | LEU | 0 | -0.064 | -0.010 | 95.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 743 | ARG | 1 | 0.778 | 0.848 | 93.629 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 744 | GLY | 0 | 0.027 | 0.030 | 99.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 745 | SER | 0 | -0.066 | -0.051 | 97.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 746 | MET | 0 | 0.069 | 0.023 | 98.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 747 | ASP | -1 | -0.832 | -0.888 | 98.819 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 748 | GLU | -1 | -0.720 | -0.803 | 94.170 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 749 | ALA | 0 | 0.023 | 0.014 | 94.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 750 | ARG | 1 | 0.830 | 0.900 | 93.926 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 751 | ARG | 1 | 0.772 | 0.847 | 93.153 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 752 | TRP | 0 | -0.008 | -0.008 | 87.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 753 | TYR | 0 | -0.040 | -0.054 | 89.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 754 | GLU | -1 | -0.781 | -0.876 | 89.619 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 755 | GLU | -1 | -0.905 | -0.952 | 86.410 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 756 | ALA | 0 | -0.030 | -0.022 | 85.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 757 | LEU | 0 | -0.066 | -0.027 | 84.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 758 | ALA | 0 | -0.011 | 0.006 | 85.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 759 | ILE | 0 | -0.063 | -0.019 | 79.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 760 | SER | 0 | -0.054 | -0.040 | 80.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 761 | PRO | 0 | 0.025 | 0.010 | 82.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 762 | THR | 0 | 0.008 | 0.003 | 82.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 763 | HIS | 0 | 0.012 | 0.033 | 83.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 764 | VAL | 0 | 0.100 | 0.025 | 85.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 765 | LYS | 1 | 0.913 | 0.970 | 87.799 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 766 | SER | 0 | 0.030 | -0.012 | 87.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 767 | MET | 0 | -0.038 | 0.004 | 88.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 768 | GLN | 0 | -0.055 | -0.026 | 91.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 769 | ARG | 1 | 0.833 | 0.888 | 93.010 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 770 | LEU | 0 | 0.013 | 0.013 | 93.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 771 | ALA | 0 | -0.005 | -0.004 | 95.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 772 | LEU | 0 | 0.017 | 0.015 | 97.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 773 | ILE | 0 | 0.018 | 0.001 | 96.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 774 | LEU | 0 | -0.059 | -0.040 | 97.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 775 | HIS | 0 | -0.019 | -0.015 | 101.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 776 | GLN | 0 | -0.017 | -0.010 | 103.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 777 | LEU | 0 | -0.073 | -0.034 | 102.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 778 | GLY | 0 | 0.019 | 0.029 | 105.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 779 | ARG | 1 | 0.864 | 0.935 | 101.940 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 780 | TYR | 0 | 0.073 | 0.032 | 103.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 781 | SER | 0 | 0.070 | 0.039 | 103.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 782 | LEU | 0 | -0.036 | -0.019 | 97.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 783 | ALA | 0 | 0.043 | 0.022 | 98.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 784 | GLU | -1 | -0.756 | -0.862 | 98.432 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 785 | LYS | 1 | 0.825 | 0.894 | 92.906 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 786 | ILE | 0 | -0.006 | -0.005 | 93.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 787 | LEU | 0 | 0.030 | 0.012 | 93.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 788 | ARG | 1 | 0.828 | 0.911 | 94.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 789 | ASP | -1 | -0.819 | -0.903 | 90.407 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 790 | ALA | 0 | 0.009 | -0.011 | 90.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 791 | VAL | 0 | -0.051 | -0.021 | 90.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 792 | GLN | 0 | -0.052 | -0.033 | 88.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 793 | VAL | 0 | -0.026 | 0.009 | 84.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 794 | ASN | 0 | 0.023 | 0.005 | 85.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 795 | SER | 0 | 0.045 | 0.031 | 88.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 796 | THR | 0 | -0.023 | -0.009 | 88.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 797 | ALA | 0 | 0.013 | 0.003 | 90.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 798 | HIS | 0 | 0.036 | 0.006 | 91.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 799 | GLU | -1 | -0.828 | -0.924 | 92.477 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 800 | VAL | 0 | -0.016 | -0.009 | 92.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 801 | TRP | 0 | -0.027 | -0.025 | 94.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 802 | ASN | 0 | 0.052 | 0.021 | 98.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 803 | GLY | 0 | 0.035 | 0.025 | 99.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 804 | LEU | 0 | -0.054 | -0.031 | 98.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 805 | GLY | 0 | 0.038 | 0.010 | 100.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 806 | GLU | -1 | -0.883 | -0.942 | 103.458 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 807 | VAL | 0 | -0.045 | -0.017 | 101.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 808 | LEU | 0 | -0.036 | -0.028 | 102.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 809 | GLN | 0 | -0.026 | -0.015 | 106.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 810 | ALA | 0 | -0.053 | -0.017 | 107.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 811 | GLN | 0 | -0.101 | -0.057 | 105.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 812 | GLY | 0 | 0.026 | 0.028 | 110.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 813 | ASN | 0 | -0.102 | -0.056 | 108.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 814 | ASP | -1 | -0.781 | -0.907 | 108.915 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 815 | ALA | 0 | -0.021 | -0.001 | 109.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 816 | ALA | 0 | 0.029 | 0.011 | 104.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 817 | ALA | 0 | 0.048 | 0.040 | 104.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 818 | THR | 0 | -0.026 | -0.024 | 105.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 819 | GLU | -1 | -0.921 | -0.953 | 102.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 820 | CYS | 0 | -0.089 | -0.041 | 101.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 821 | PHE | 0 | 0.035 | 0.007 | 101.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 822 | LEU | 0 | -0.002 | 0.006 | 102.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 823 | THR | 0 | 0.009 | 0.005 | 97.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 824 | ALA | 0 | -0.031 | -0.022 | 97.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 825 | LEU | 0 | -0.008 | -0.001 | 98.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 826 | GLU | -1 | -0.939 | -0.966 | 97.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 827 | LEU | 0 | -0.067 | -0.030 | 92.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 828 | GLU | -1 | -0.905 | -0.940 | 94.043 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 829 | ALA | 0 | 0.040 | 0.021 | 95.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 830 | SER | 0 | -0.042 | -0.013 | 91.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 831 | SER | 0 | -0.042 | -0.032 | 90.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 832 | PRO | 0 | -0.011 | 0.004 | 86.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 833 | ALA | 0 | -0.008 | -0.011 | 86.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 834 | VAL | 0 | -0.015 | -0.018 | 81.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 835 | PRO | 0 | 0.018 | 0.005 | 82.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 836 | PHE | 0 | 0.111 | 0.035 | 81.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 837 | THR | 0 | -0.019 | -0.011 | 78.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 838 | ILE | 0 | -0.067 | -0.017 | 77.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 839 | ILE | 0 | -0.040 | -0.004 | 74.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 840 | PRO | 0 | -0.001 | 0.014 | 70.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 841 | ARG | 1 | 0.914 | 0.957 | 72.336 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 842 | VAL | 0 | -0.015 | -0.010 | 65.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 843 | LEU | 0 | 0.029 | 0.019 | 64.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |