FMODB ID: 16J6Z
Calculation Name: 1HCI-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1HCI
Chain ID: A
UniProt ID: P35609
Base Structure: X-ray
Registration Date: 2023-09-26
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 | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 475 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6278255.505481 |
---|---|
FMO2-HF: Nuclear repulsion | 6080707.368068 |
FMO2-HF: Total energy | -197548.137413 |
FMO2-MP2: Total energy | -198122.957533 |
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:272:SER)
Summations of interaction energy for
fragment #1(A:272: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. |
-8.208 | -4.636 | 0.082 | -1.56 | -2.093 | 0.007 |
Interaction energy analysis for fragmet #1(A:272: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 | 274 | ALA | 0 | -0.005 | 0.005 | 3.133 | -4.340 | -1.628 | 0.073 | -1.323 | -1.461 | 0.007 |
4 | A | 275 | VAL | 0 | 0.045 | 0.024 | 3.700 | -2.008 | -1.425 | 0.009 | -0.126 | -0.465 | 0.000 |
5 | A | 276 | ASN | 0 | -0.072 | -0.027 | 4.057 | -1.249 | -0.972 | 0.000 | -0.111 | -0.167 | 0.000 |
6 | A | 277 | GLN | 0 | 0.089 | 0.042 | 6.538 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 278 | GLU | -1 | -0.884 | -0.928 | 8.543 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 279 | ASN | 0 | 0.030 | 0.017 | 8.531 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 280 | GLU | -1 | -0.759 | -0.895 | 9.333 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 281 | ARG | 1 | 0.928 | 0.958 | 11.618 | -0.749 | -0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 282 | LEU | 0 | -0.029 | -0.022 | 12.611 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 283 | MET | 0 | -0.062 | -0.019 | 14.167 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 284 | GLU | -1 | -0.941 | -0.976 | 16.533 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 285 | GLU | -1 | -0.804 | -0.891 | 18.217 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 286 | TYR | 0 | -0.010 | -0.012 | 19.675 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 287 | GLU | -1 | -0.772 | -0.866 | 20.977 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 288 | ARG | 1 | 0.791 | 0.877 | 22.267 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 289 | LEU | 0 | 0.053 | 0.029 | 24.223 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 290 | ALA | 0 | 0.017 | 0.000 | 25.389 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 291 | SER | 0 | -0.067 | -0.051 | 26.583 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 292 | GLU | -1 | -0.855 | -0.905 | 27.566 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 293 | LEU | 0 | -0.002 | 0.013 | 30.105 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 294 | LEU | 0 | 0.009 | -0.008 | 29.966 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 295 | GLU | -1 | -0.822 | -0.860 | 33.098 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 296 | TRP | 0 | 0.104 | 0.051 | 34.712 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 297 | ILE | 0 | -0.014 | -0.005 | 35.915 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 298 | ARG | 1 | 0.838 | 0.917 | 34.190 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 299 | ARG | 1 | 0.811 | 0.864 | 37.461 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 300 | THR | 0 | -0.020 | -0.011 | 39.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 301 | ILE | 0 | -0.017 | -0.012 | 40.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 302 | PRO | 0 | -0.021 | -0.009 | 43.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 303 | TRP | 0 | -0.022 | 0.003 | 46.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 304 | LEU | 0 | -0.022 | -0.011 | 44.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 305 | GLU | -1 | -0.875 | -0.937 | 48.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 306 | ASN | 0 | -0.067 | -0.058 | 50.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 307 | ARG | 1 | 0.838 | 0.928 | 50.502 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 308 | THR | 0 | 0.000 | 0.015 | 55.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 309 | PRO | 0 | 0.009 | 0.002 | 58.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 310 | GLU | -1 | -0.820 | -0.887 | 60.297 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 311 | LYS | 1 | 0.868 | 0.911 | 62.611 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 312 | THR | 0 | 0.046 | 0.028 | 64.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 313 | MET | 0 | 0.015 | 0.007 | 64.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 314 | GLN | 0 | 0.015 | 0.002 | 63.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 315 | ALA | 0 | -0.002 | 0.006 | 61.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 316 | MET | 0 | -0.025 | -0.003 | 59.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 317 | GLN | 0 | 0.019 | -0.008 | 58.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 318 | LYS | 1 | 0.787 | 0.894 | 52.944 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 319 | LYS | 1 | 0.906 | 0.935 | 54.895 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 320 | LEU | 0 | 0.032 | 0.021 | 53.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 321 | GLU | -1 | -0.872 | -0.915 | 52.925 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 322 | ASP | -1 | -0.826 | -0.915 | 50.460 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 323 | PHE | 0 | -0.020 | 0.002 | 47.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 324 | ARG | 1 | 0.916 | 0.945 | 48.425 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 325 | ASP | -1 | -0.769 | -0.875 | 47.147 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 326 | TYR | 0 | -0.027 | -0.020 | 42.306 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 327 | ARG | 1 | 0.921 | 0.965 | 43.639 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 328 | ARG | 1 | 0.931 | 0.966 | 44.239 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 329 | LYS | 1 | 0.763 | 0.847 | 41.795 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 330 | HIS | 0 | -0.051 | -0.019 | 40.112 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 331 | LYS | 1 | 0.786 | 0.888 | 38.939 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 332 | PRO | 0 | -0.020 | -0.010 | 38.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 333 | PRO | 0 | 0.018 | 0.015 | 34.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 334 | LYS | 1 | 0.872 | 0.918 | 33.172 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 335 | VAL | 0 | -0.017 | 0.000 | 33.861 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 336 | GLN | 0 | -0.010 | -0.002 | 30.861 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 337 | GLU | -1 | -0.783 | -0.886 | 29.542 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 338 | LYS | 1 | 0.792 | 0.881 | 29.013 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 339 | CYS | 0 | -0.039 | -0.005 | 29.378 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 340 | GLN | 0 | 0.037 | 0.029 | 24.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 341 | LEU | 0 | 0.028 | 0.015 | 24.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 342 | GLU | -1 | -0.804 | -0.893 | 25.162 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 343 | ILE | 0 | 0.039 | 0.026 | 23.303 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 344 | ASN | 0 | -0.019 | -0.022 | 20.266 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 345 | PHE | 0 | -0.033 | -0.009 | 19.558 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 346 | ASN | 0 | -0.041 | -0.027 | 21.082 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 347 | THR | 0 | -0.023 | -0.020 | 16.903 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 348 | LEU | 0 | -0.007 | 0.001 | 13.398 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 349 | GLN | 0 | 0.028 | 0.005 | 15.050 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 350 | THR | 0 | -0.004 | -0.011 | 16.607 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 351 | LYS | 1 | 0.890 | 0.956 | 9.970 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 352 | LEU | 0 | -0.008 | 0.013 | 10.323 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 353 | ARG | 1 | 0.916 | 0.956 | 12.696 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 354 | ILE | 0 | -0.058 | -0.024 | 12.723 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 355 | SER | 0 | -0.042 | -0.044 | 7.848 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 356 | ASN | 0 | -0.079 | -0.024 | 8.863 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 357 | ARG | 1 | 0.869 | 0.924 | 7.267 | 0.669 | 0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 358 | PRO | 0 | -0.019 | -0.019 | 10.896 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 359 | ALA | 0 | -0.001 | 0.010 | 14.165 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 360 | PHE | 0 | 0.013 | 0.007 | 15.811 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 361 | MET | 0 | 0.036 | 0.013 | 17.690 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 362 | PRO | 0 | -0.049 | -0.005 | 20.676 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 363 | SER | 0 | -0.019 | -0.045 | 21.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 364 | GLU | -1 | -0.826 | -0.903 | 25.015 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 365 | GLY | 0 | -0.041 | -0.022 | 28.164 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 366 | LYS | 1 | 0.724 | 0.838 | 25.053 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 367 | MET | 0 | 0.020 | 0.025 | 27.431 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 368 | VAL | 0 | 0.003 | 0.000 | 24.045 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 369 | SER | 0 | 0.019 | 0.018 | 27.409 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 370 | ASP | -1 | -0.882 | -0.951 | 30.417 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 371 | ILE | 0 | 0.010 | 0.005 | 28.553 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 372 | ALA | 0 | 0.002 | 0.009 | 32.603 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 373 | GLY | 0 | 0.033 | 0.013 | 34.804 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 374 | ALA | 0 | -0.067 | -0.049 | 35.005 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 375 | TRP | 0 | 0.016 | 0.001 | 35.394 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 376 | GLN | 0 | -0.026 | -0.011 | 37.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 377 | ARG | 1 | 0.945 | 0.979 | 37.714 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 378 | LEU | 0 | 0.026 | 0.019 | 39.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 379 | GLU | -1 | -0.841 | -0.915 | 41.680 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 380 | GLN | 0 | -0.022 | -0.010 | 43.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 381 | ALA | 0 | 0.065 | 0.054 | 45.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 382 | GLU | -1 | -0.781 | -0.894 | 44.518 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 383 | LYS | 1 | 0.863 | 0.918 | 47.506 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 384 | GLY | 0 | 0.113 | 0.065 | 49.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 385 | TYR | 0 | -0.060 | -0.021 | 50.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 386 | GLU | -1 | -0.871 | -0.955 | 51.869 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 387 | GLU | -1 | -0.921 | -0.960 | 53.781 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 388 | TRP | 0 | 0.001 | -0.005 | 55.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 389 | LEU | 0 | -0.007 | -0.001 | 53.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 390 | LEU | 0 | -0.004 | -0.010 | 56.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 391 | ASN | 0 | -0.012 | 0.003 | 59.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 392 | GLU | -1 | -0.762 | -0.840 | 61.010 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 393 | ILE | 0 | -0.081 | -0.034 | 59.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 394 | ARG | 1 | 0.940 | 0.952 | 60.724 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 395 | ARG | 1 | 0.793 | 0.868 | 65.506 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 396 | LEU | 0 | 0.014 | -0.004 | 64.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 397 | GLU | -1 | -0.958 | -0.974 | 67.134 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 398 | ARG | 1 | 0.775 | 0.848 | 68.890 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 399 | LEU | 0 | 0.005 | 0.002 | 69.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 400 | GLU | -1 | -0.825 | -0.915 | 68.743 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 401 | HIS | 0 | 0.015 | 0.021 | 72.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 402 | LEU | 0 | -0.029 | -0.012 | 75.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 403 | ALA | 0 | 0.028 | 0.017 | 75.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 404 | GLU | -1 | -0.848 | -0.912 | 77.260 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 405 | LYS | 1 | 0.853 | 0.924 | 79.025 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 406 | PHE | 0 | 0.005 | 0.002 | 80.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 407 | ARG | 1 | 0.849 | 0.915 | 79.271 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 408 | GLN | 0 | -0.056 | -0.024 | 81.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 409 | LYS | 1 | 0.889 | 0.954 | 85.104 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 410 | ALA | 0 | 0.054 | 0.027 | 86.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 411 | SER | 0 | 0.007 | -0.014 | 86.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 412 | THR | 0 | -0.061 | -0.026 | 89.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 413 | HIS | 0 | 0.043 | 0.048 | 91.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 414 | GLU | -1 | -0.762 | -0.859 | 90.214 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 415 | THR | 0 | -0.076 | -0.061 | 92.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 416 | TRP | 0 | -0.076 | -0.036 | 95.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 417 | ALA | 0 | 0.048 | 0.031 | 96.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 418 | TYR | 0 | 0.015 | 0.015 | 93.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 419 | GLY | 0 | -0.028 | -0.024 | 99.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 420 | LYS | 1 | 0.835 | 0.917 | 101.218 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 421 | GLU | -1 | -0.717 | -0.825 | 100.684 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 422 | GLN | 0 | 0.000 | -0.007 | 104.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 423 | ILE | 0 | -0.021 | -0.015 | 106.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 424 | LEU | 0 | 0.016 | 0.017 | 105.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 425 | LEU | 0 | -0.021 | -0.010 | 107.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 426 | GLN | 0 | -0.084 | -0.023 | 110.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 427 | LYS | 1 | 0.852 | 0.902 | 113.740 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 428 | ASP | -1 | -0.786 | -0.858 | 115.967 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 429 | TYR | 0 | 0.009 | -0.022 | 116.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 430 | GLU | -1 | -0.764 | -0.869 | 120.413 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 431 | SER | 0 | -0.087 | -0.063 | 122.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 432 | ALA | 0 | -0.022 | 0.027 | 122.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 433 | SER | 0 | 0.015 | -0.039 | 124.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 434 | LEU | 0 | 0.044 | 0.018 | 125.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 435 | THR | 0 | 0.013 | 0.001 | 125.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 436 | GLU | -1 | -0.844 | -0.878 | 122.710 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 437 | VAL | 0 | 0.007 | 0.002 | 121.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 438 | ARG | 1 | 0.809 | 0.878 | 120.156 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 439 | ALA | 0 | -0.031 | -0.012 | 119.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 440 | LEU | 0 | -0.049 | -0.031 | 116.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 441 | LEU | 0 | 0.026 | 0.024 | 115.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 442 | ARG | 1 | 0.834 | 0.905 | 114.979 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 443 | LYS | 1 | 0.916 | 0.946 | 113.071 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 444 | HIS | 0 | -0.041 | -0.013 | 110.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 445 | GLU | -1 | -0.765 | -0.852 | 110.261 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 446 | ALA | 0 | -0.035 | -0.015 | 109.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 447 | PHE | 0 | -0.012 | -0.010 | 104.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 448 | GLU | -1 | -0.735 | -0.864 | 105.570 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 449 | SER | 0 | -0.017 | 0.001 | 104.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 450 | ASP | -1 | -0.867 | -0.931 | 101.624 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 451 | LEU | 0 | -0.022 | -0.009 | 100.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 452 | ALA | 0 | 0.004 | -0.010 | 100.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 453 | ALA | 0 | -0.036 | -0.013 | 99.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 454 | HIS | 0 | -0.062 | -0.036 | 95.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 455 | GLN | 0 | -0.002 | -0.007 | 95.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 456 | ASP | -1 | -0.827 | -0.903 | 90.766 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 457 | ARG | 1 | 0.846 | 0.926 | 90.579 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 458 | VAL | 0 | 0.025 | 0.015 | 90.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 459 | GLU | -1 | -0.837 | -0.900 | 89.855 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 460 | GLN | 0 | -0.054 | -0.050 | 86.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 461 | ILE | 0 | -0.068 | -0.028 | 85.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 462 | ALA | 0 | 0.064 | 0.016 | 85.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 463 | ALA | 0 | -0.018 | -0.003 | 83.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 464 | ILE | 0 | -0.043 | -0.027 | 80.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 465 | ALA | 0 | 0.014 | 0.003 | 80.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 466 | GLN | 0 | -0.053 | -0.023 | 80.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 467 | GLU | -1 | -0.731 | -0.834 | 75.583 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 468 | LEU | 0 | -0.058 | -0.037 | 75.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 469 | ASN | 0 | -0.074 | -0.065 | 75.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 470 | GLU | -1 | -0.897 | -0.928 | 75.107 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 471 | LEU | 0 | -0.041 | -0.011 | 71.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 472 | ASP | -1 | -0.914 | -0.944 | 69.927 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 473 | TYR | 0 | -0.066 | -0.052 | 71.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 474 | HIS | 0 | 0.004 | -0.018 | 71.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 475 | ASP | -1 | -0.743 | -0.843 | 73.038 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 476 | ALA | 0 | 0.017 | 0.014 | 76.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 477 | VAL | 0 | 0.032 | 0.011 | 78.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 478 | ASN | 0 | -0.029 | -0.023 | 79.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 479 | VAL | 0 | -0.008 | 0.003 | 79.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 480 | ASN | 0 | 0.041 | 0.029 | 81.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 481 | ASP | -1 | -0.823 | -0.889 | 84.225 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 482 | ARG | 1 | 0.764 | 0.845 | 85.407 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 483 | CYS | 0 | 0.006 | 0.002 | 85.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 484 | GLN | 0 | -0.052 | -0.020 | 87.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 485 | LYS | 1 | 0.856 | 0.916 | 89.260 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 486 | ILE | 0 | -0.027 | -0.011 | 89.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 487 | CYS | 0 | -0.034 | -0.019 | 90.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 488 | ASP | -1 | -0.838 | -0.920 | 93.698 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 489 | GLN | 0 | -0.133 | -0.093 | 95.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 490 | TRP | 0 | -0.017 | 0.001 | 95.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 491 | ASP | -1 | -0.819 | -0.908 | 97.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 492 | ARG | 1 | 0.787 | 0.883 | 97.956 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 493 | LEU | 0 | 0.012 | 0.006 | 100.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 494 | GLY | 0 | 0.038 | 0.036 | 101.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 495 | THR | 0 | -0.051 | -0.048 | 103.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 496 | LEU | 0 | -0.053 | -0.014 | 105.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 497 | THR | 0 | -0.009 | -0.033 | 105.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 498 | GLN | 0 | -0.031 | -0.031 | 107.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 499 | LYS | 1 | 0.894 | 0.961 | 109.910 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 500 | ARG | 1 | 0.797 | 0.870 | 111.293 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 501 | ARG | 1 | 0.764 | 0.857 | 112.054 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 502 | GLU | -1 | -0.818 | -0.913 | 112.367 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 503 | ALA | 0 | -0.037 | -0.020 | 115.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 504 | LEU | 0 | -0.030 | -0.015 | 115.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 505 | GLU | -1 | -0.807 | -0.899 | 116.532 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 506 | ARG | 1 | 0.892 | 0.956 | 119.991 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 507 | MET | 0 | -0.050 | -0.015 | 121.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 508 | GLU | -1 | -0.818 | -0.902 | 121.593 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 509 | LYS | 1 | 0.955 | 0.989 | 124.141 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 510 | LEU | 0 | -0.083 | -0.036 | 125.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 511 | LEU | 0 | 0.015 | -0.002 | 125.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 512 | GLU | -1 | -0.817 | -0.895 | 128.156 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 513 | THR | 0 | -0.059 | -0.036 | 130.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 514 | ILE | 0 | 0.013 | 0.004 | 131.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 515 | ASP | -1 | -0.850 | -0.892 | 132.631 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 516 | GLN | 0 | 0.007 | 0.005 | 134.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 517 | LEU | 0 | -0.011 | -0.004 | 135.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 518 | HIS | 0 | -0.019 | -0.016 | 136.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 519 | LEU | 0 | 0.026 | 0.023 | 137.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 520 | GLU | -1 | -0.905 | -0.948 | 139.948 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 521 | PHE | 0 | 0.001 | -0.007 | 142.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 522 | ALA | 0 | 0.024 | 0.017 | 142.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 523 | LYS | 1 | 0.858 | 0.942 | 143.912 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 524 | ARG | 1 | 0.730 | 0.815 | 145.769 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 525 | ALA | 0 | 0.054 | 0.023 | 147.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 526 | ALA | 0 | 0.038 | 0.025 | 148.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 527 | PRO | 0 | -0.048 | -0.034 | 149.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 528 | PHE | 0 | 0.042 | 0.014 | 152.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 529 | ASN | 0 | 0.014 | -0.004 | 153.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 530 | ASN | 0 | -0.026 | -0.019 | 153.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 531 | TRP | 0 | 0.001 | 0.011 | 156.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 532 | MET | 0 | -0.044 | 0.003 | 155.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 533 | GLU | -1 | -0.794 | -0.895 | 157.222 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 534 | GLY | 0 | 0.045 | 0.026 | 160.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 535 | ALA | 0 | 0.016 | 0.009 | 162.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 536 | MET | 0 | -0.051 | -0.034 | 161.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 537 | GLU | -1 | -0.950 | -0.953 | 164.524 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 538 | ASP | -1 | -0.850 | -0.919 | 167.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 539 | LEU | 0 | -0.133 | -0.080 | 167.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 540 | GLN | 0 | -0.053 | -0.053 | 167.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 541 | ASP | -1 | -0.868 | -0.917 | 171.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 542 | MET | 0 | -0.064 | -0.025 | 173.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 543 | PHE | 0 | 0.004 | 0.001 | 176.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 544 | ILE | 0 | -0.022 | -0.019 | 179.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 545 | VAL | 0 | -0.028 | -0.007 | 182.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 546 | HIS | 0 | -0.025 | -0.021 | 185.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 547 | SER | 0 | -0.009 | -0.034 | 188.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 548 | ILE | 0 | 0.005 | -0.017 | 187.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 549 | GLU | -1 | -0.917 | -0.947 | 185.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 550 | GLU | -1 | -0.752 | -0.835 | 183.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 551 | ILE | 0 | 0.021 | 0.013 | 181.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 552 | GLN | 0 | 0.005 | -0.008 | 181.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 553 | SER | 0 | -0.021 | 0.006 | 179.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 554 | LEU | 0 | 0.005 | -0.001 | 177.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 555 | ILE | 0 | -0.017 | -0.008 | 176.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 556 | THR | 0 | -0.010 | -0.014 | 175.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 557 | ALA | 0 | 0.011 | 0.010 | 173.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 558 | HIS | 0 | 0.036 | 0.009 | 171.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 559 | GLU | -1 | -0.987 | -1.001 | 171.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 560 | GLN | 0 | -0.017 | -0.020 | 170.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 561 | PHE | 0 | 0.039 | 0.027 | 164.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 562 | LYS | 1 | 0.865 | 0.930 | 166.831 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 563 | ALA | 0 | -0.031 | -0.009 | 167.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 564 | THR | 0 | -0.033 | -0.029 | 162.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 565 | LEU | 0 | -0.001 | 0.009 | 162.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 566 | PRO | 0 | -0.034 | -0.021 | 161.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 567 | GLU | -1 | -0.930 | -0.971 | 158.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 568 | ALA | 0 | 0.080 | 0.049 | 157.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 569 | ASP | -1 | -0.741 | -0.871 | 156.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 570 | GLY | 0 | -0.024 | 0.004 | 155.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 571 | GLU | -1 | -0.769 | -0.862 | 150.692 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 572 | ARG | 1 | 0.841 | 0.921 | 151.761 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 573 | GLN | 0 | -0.061 | -0.050 | 151.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 574 | SER | 0 | -0.013 | 0.012 | 148.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 575 | ILE | 0 | 0.040 | 0.013 | 147.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 576 | MET | 0 | -0.053 | -0.046 | 146.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 577 | ALA | 0 | -0.007 | 0.011 | 145.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 578 | ILE | 0 | -0.001 | 0.013 | 141.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 579 | GLN | 0 | -0.035 | -0.028 | 141.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 580 | ASN | 0 | -0.057 | -0.042 | 141.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 581 | GLU | -1 | -0.814 | -0.906 | 137.320 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 582 | VAL | 0 | 0.016 | 0.012 | 137.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 583 | GLU | -1 | -0.802 | -0.883 | 136.605 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 584 | LYS | 1 | 0.801 | 0.914 | 134.907 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 585 | VAL | 0 | -0.042 | -0.034 | 132.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 586 | ILE | 0 | 0.002 | 0.005 | 132.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 587 | GLN | 0 | -0.009 | -0.013 | 132.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 588 | SER | 0 | -0.033 | -0.021 | 131.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 589 | TYR | 0 | -0.061 | -0.044 | 127.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 590 | ASN | 0 | -0.062 | -0.026 | 125.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 591 | ILE | 0 | -0.004 | 0.033 | 127.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 592 | ARG | 1 | 0.924 | 0.957 | 125.369 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 593 | ILE | 0 | 0.021 | 0.009 | 128.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 594 | SER | 0 | -0.023 | -0.015 | 132.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 595 | SER | 0 | 0.029 | -0.019 | 135.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 596 | SER | 0 | -0.039 | -0.002 | 138.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 597 | ASN | 0 | 0.052 | 0.019 | 138.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 598 | PRO | 0 | -0.012 | -0.003 | 135.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 599 | TYR | 0 | -0.102 | -0.080 | 134.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 600 | SER | 0 | -0.053 | -0.034 | 141.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 601 | THR | 0 | -0.016 | -0.005 | 144.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 602 | VAL | 0 | -0.014 | 0.020 | 146.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 603 | THR | 0 | 0.039 | 0.003 | 146.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 604 | MET | 0 | 0.022 | 0.015 | 147.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 605 | ASP | -1 | -0.859 | -0.919 | 148.110 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 606 | GLU | -1 | -0.845 | -0.927 | 150.989 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 607 | LEU | 0 | 0.001 | 0.015 | 150.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 608 | ARG | 1 | 0.834 | 0.883 | 153.199 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 609 | THR | 0 | -0.027 | -0.021 | 154.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 610 | LYS | 1 | 0.807 | 0.880 | 154.729 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 611 | TRP | 0 | 0.002 | -0.001 | 157.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 612 | ASP | -1 | -0.851 | -0.908 | 158.496 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 613 | LYS | 1 | 0.894 | 0.954 | 161.124 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 614 | VAL | 0 | 0.029 | 0.013 | 161.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 615 | LYS | 1 | 0.830 | 0.904 | 161.686 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 616 | GLN | 0 | -0.031 | -0.024 | 165.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 617 | LEU | 0 | -0.002 | 0.003 | 166.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 618 | VAL | 0 | -0.009 | 0.010 | 167.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 619 | PRO | 0 | -0.015 | -0.003 | 169.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 620 | ILE | 0 | -0.003 | -0.003 | 170.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 621 | ARG | 1 | 0.838 | 0.930 | 172.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 622 | ASP | -1 | -0.835 | -0.914 | 174.283 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 623 | GLN | 0 | -0.073 | -0.031 | 176.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 624 | SER | 0 | 0.006 | 0.011 | 177.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 625 | LEU | 0 | -0.005 | -0.018 | 176.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 626 | GLN | 0 | -0.022 | -0.015 | 180.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 627 | GLU | -1 | -0.896 | -0.936 | 182.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 628 | GLU | -1 | -0.722 | -0.833 | 183.338 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 629 | LEU | 0 | -0.038 | -0.002 | 183.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 630 | ALA | 0 | -0.018 | -0.016 | 185.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 631 | ARG | 1 | 0.821 | 0.890 | 187.826 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 632 | GLN | 0 | 0.014 | -0.002 | 187.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 633 | HIS | 0 | 0.034 | 0.005 | 187.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 634 | ALA | 0 | -0.070 | -0.020 | 191.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 635 | ASN | 0 | 0.047 | 0.015 | 191.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 636 | GLU | -1 | -0.775 | -0.873 | 193.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 637 | ARG | 1 | 0.822 | 0.909 | 193.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 638 | LEU | 0 | 0.058 | 0.037 | 197.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 639 | ARG | 1 | 0.805 | 0.894 | 193.024 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 640 | ARG | 1 | 0.958 | 0.974 | 197.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 641 | GLN | 0 | -0.046 | -0.019 | 201.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 642 | PHE | 0 | 0.033 | 0.028 | 203.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 643 | ALA | 0 | -0.018 | -0.011 | 203.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 644 | ALA | 0 | -0.035 | -0.020 | 205.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 645 | GLN | 0 | -0.018 | -0.016 | 207.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 646 | ALA | 0 | 0.053 | 0.028 | 208.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 647 | ASN | 0 | -0.037 | -0.024 | 205.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 648 | ALA | 0 | -0.023 | -0.001 | 210.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 649 | ILE | 0 | 0.014 | -0.004 | 212.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 650 | GLY | 0 | 0.031 | 0.022 | 213.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 651 | PRO | 0 | -0.020 | -0.010 | 213.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 652 | TRP | 0 | -0.004 | 0.003 | 216.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 653 | ILE | 0 | 0.011 | -0.003 | 216.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 654 | GLN | 0 | -0.006 | 0.007 | 218.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 655 | ASN | 0 | -0.030 | -0.025 | 220.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 656 | LYS | 1 | 0.778 | 0.885 | 222.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 657 | MET | 0 | 0.002 | 0.005 | 222.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 658 | GLU | -1 | -0.850 | -0.897 | 224.411 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 659 | GLU | -1 | -0.838 | -0.915 | 226.798 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 660 | ILE | 0 | -0.004 | -0.006 | 227.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 661 | ALA | 0 | -0.016 | 0.001 | 228.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 662 | ARG | 1 | 0.805 | 0.902 | 227.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 663 | SER | 0 | 0.046 | 0.032 | 232.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 664 | SER | 0 | 0.021 | -0.009 | 235.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 665 | ILE | 0 | -0.072 | -0.035 | 236.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 666 | GLN | 0 | -0.053 | -0.023 | 237.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 667 | ILE | 0 | 0.004 | -0.019 | 240.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 668 | THR | 0 | -0.068 | -0.061 | 243.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 669 | GLY | 0 | -0.008 | 0.001 | 245.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 670 | ALA | 0 | -0.045 | -0.016 | 242.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 671 | LEU | 0 | 0.047 | 0.009 | 243.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 672 | GLU | -1 | -0.727 | -0.822 | 242.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 673 | ASP | -1 | -0.828 | -0.876 | 241.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 674 | GLN | 0 | -0.042 | -0.021 | 236.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 675 | MET | 0 | -0.017 | 0.002 | 238.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 676 | ASN | 0 | -0.050 | -0.037 | 238.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 677 | GLN | 0 | 0.030 | 0.020 | 234.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 678 | LEU | 0 | 0.014 | 0.005 | 233.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 679 | LYS | 1 | 0.844 | 0.911 | 233.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 680 | GLN | 0 | -0.023 | -0.003 | 232.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 681 | TYR | 0 | -0.024 | -0.027 | 229.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 682 | GLU | -1 | -0.795 | -0.893 | 228.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 683 | HIS | 0 | 0.005 | 0.001 | 228.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 684 | ASN | 0 | -0.018 | -0.016 | 226.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 685 | ILE | 0 | 0.014 | 0.019 | 224.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 686 | ILE | 0 | 0.002 | 0.003 | 223.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 687 | ASN | 0 | -0.096 | -0.052 | 223.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 688 | TYR | 0 | 0.030 | 0.012 | 217.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 689 | LYS | 1 | 0.872 | 0.912 | 218.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 690 | ASN | 0 | 0.004 | -0.004 | 217.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 691 | ASN | 0 | -0.016 | -0.005 | 214.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 692 | ILE | 0 | 0.035 | 0.023 | 213.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 693 | ASP | -1 | -0.801 | -0.878 | 213.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 694 | LYS | 1 | 0.837 | 0.923 | 210.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 695 | LEU | 0 | -0.013 | -0.001 | 208.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 696 | GLU | -1 | -0.756 | -0.860 | 208.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 697 | GLY | 0 | 0.011 | 0.016 | 207.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 698 | ASP | -1 | -0.841 | -0.930 | 204.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 699 | HIS | 0 | -0.050 | -0.034 | 203.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 700 | GLN | 0 | -0.113 | -0.059 | 203.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 701 | LEU | 0 | 0.033 | 0.007 | 201.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 702 | ILE | 0 | -0.047 | -0.017 | 199.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 703 | GLN | 0 | 0.012 | 0.007 | 198.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 704 | GLU | -1 | -0.873 | -0.930 | 198.005 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 705 | ALA | 0 | -0.044 | -0.010 | 195.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 706 | LEU | 0 | -0.074 | -0.043 | 192.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 707 | VAL | 0 | -0.036 | 0.003 | 194.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 708 | PHE | 0 | 0.013 | -0.009 | 195.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 709 | ASP | -1 | -0.882 | -0.919 | 194.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 710 | ASN | 0 | 0.022 | -0.036 | 197.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 711 | LYS | 1 | 0.898 | 0.954 | 193.880 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 712 | HIS | 0 | -0.053 | -0.024 | 197.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 713 | THR | 0 | -0.023 | -0.033 | 201.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 714 | ASN | 0 | -0.006 | 0.000 | 204.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 715 | TYR | 0 | 0.007 | 0.029 | 206.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 716 | THR | 0 | 0.005 | -0.010 | 204.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 717 | MET | 0 | 0.046 | 0.021 | 207.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 718 | GLU | -1 | -0.846 | -0.903 | 209.144 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 719 | HIS | 0 | -0.040 | -0.021 | 209.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 720 | ILE | 0 | -0.022 | -0.008 | 211.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 721 | ARG | 1 | 0.768 | 0.852 | 208.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 722 | VAL | 0 | 0.074 | 0.036 | 214.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 723 | GLY | 0 | 0.009 | 0.006 | 216.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 724 | TRP | 0 | 0.008 | -0.004 | 218.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 725 | GLU | -1 | -0.903 | -0.962 | 217.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 726 | LEU | 0 | 0.001 | 0.021 | 220.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 727 | LEU | 0 | 0.020 | 0.019 | 222.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 728 | LEU | 0 | -0.025 | -0.025 | 222.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 729 | THR | 0 | -0.047 | -0.036 | 224.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 730 | THR | 0 | -0.025 | -0.031 | 226.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 731 | ILE | 0 | -0.021 | 0.008 | 227.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 732 | ALA | 0 | 0.017 | 0.012 | 230.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 733 | ARG | 1 | 0.865 | 0.937 | 230.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 734 | THR | 0 | 0.008 | -0.016 | 231.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 735 | ILE | 0 | -0.031 | -0.015 | 233.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 736 | ASN | 0 | -0.014 | -0.009 | 235.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 737 | GLU | -1 | -0.855 | -0.923 | 234.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 738 | VAL | 0 | -0.009 | -0.009 | 238.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 739 | GLU | -1 | -0.906 | -0.953 | 239.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 740 | THR | 0 | -0.018 | -0.015 | 240.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 741 | GLN | 0 | -0.040 | -0.015 | 240.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 742 | ILE | 0 | -0.049 | -0.018 | 244.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 743 | LEU | 0 | 0.031 | 0.019 | 246.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 744 | THR | 0 | -0.084 | -0.050 | 246.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 745 | ARG | 1 | 0.726 | 0.813 | 248.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 746 | ASP | -1 | -0.952 | -0.940 | 250.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |