FMODB ID: 17RVZ
Calculation Name: 5A7D-L-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5A7D
Chain ID: L
UniProt ID: Q9VB22
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 286 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3467450.54206 |
---|---|
FMO2-HF: Nuclear repulsion | 3354248.042222 |
FMO2-HF: Total energy | -113202.499838 |
FMO2-MP2: Total energy | -113530.897155 |
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(L:306:HIS)
Summations of interaction energy for
fragment #1(L:306:HIS)
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. |
-1.637 | -0.224 | 0.001 | -0.71 | -0.704 | 0.001 |
Interaction energy analysis for fragmet #1(L:306:HIS)
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 | L | 308 | GLU | -1 | -0.825 | -0.914 | 3.530 | -1.562 | -0.149 | 0.001 | -0.710 | -0.704 | 0.001 |
4 | L | 309 | PRO | 0 | 0.007 | 0.001 | 6.253 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | L | 310 | VAL | 0 | 0.027 | 0.005 | 9.597 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | L | 311 | ALA | 0 | 0.009 | -0.006 | 8.396 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | L | 312 | SER | 0 | -0.069 | -0.030 | 8.961 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | L | 313 | TRP | 0 | 0.074 | 0.042 | 10.097 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | L | 314 | MET | 0 | -0.041 | -0.025 | 12.827 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | L | 315 | SER | 0 | -0.096 | -0.053 | 10.302 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | L | 316 | GLU | -1 | -0.885 | -0.932 | 12.369 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | L | 317 | GLN | 0 | 0.016 | -0.009 | 14.718 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | L | 318 | ARG | 1 | 0.819 | 0.929 | 15.264 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | L | 319 | TRP | 0 | -0.026 | -0.026 | 16.099 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | L | 320 | ALA | 0 | 0.017 | 0.033 | 19.732 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | L | 321 | GLY | 0 | 0.006 | -0.010 | 21.744 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | L | 322 | GLU | -1 | -0.978 | -0.975 | 25.470 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | L | 323 | PRO | 0 | -0.065 | -0.023 | 28.685 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | L | 324 | GLU | -1 | -0.859 | -0.935 | 31.295 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | L | 325 | VAL | 0 | -0.019 | -0.018 | 34.681 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | L | 326 | MET | 0 | -0.023 | -0.011 | 32.230 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | L | 327 | CYS | 0 | -0.051 | -0.026 | 35.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | L | 328 | THR | 0 | 0.001 | 0.002 | 38.733 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | L | 329 | LEU | 0 | -0.022 | -0.017 | 41.718 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | L | 330 | GLN | 0 | 0.026 | 0.022 | 44.766 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | L | 331 | HIS | 0 | 0.033 | 0.022 | 47.305 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | L | 332 | LYS | 1 | 0.975 | 0.979 | 50.962 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | L | 333 | SER | 0 | 0.016 | 0.006 | 54.552 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | L | 334 | ILE | 0 | 0.076 | 0.031 | 56.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | L | 335 | ALA | 0 | -0.005 | 0.002 | 59.390 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | L | 336 | GLN | 0 | 0.015 | -0.007 | 60.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | L | 337 | GLU | -1 | -0.781 | -0.866 | 60.901 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | L | 338 | ALA | 0 | -0.008 | -0.008 | 63.387 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | L | 339 | TYR | 0 | -0.076 | -0.054 | 64.820 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | L | 340 | LYS | 1 | 0.802 | 0.900 | 63.744 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | L | 341 | ASN | 0 | -0.017 | -0.009 | 64.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | L | 342 | TYR | 0 | -0.008 | -0.002 | 68.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | L | 343 | THR | 0 | -0.006 | 0.003 | 70.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | L | 344 | ILE | 0 | -0.015 | 0.012 | 67.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | L | 345 | THR | 0 | 0.022 | -0.006 | 70.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | L | 346 | THR | 0 | 0.032 | 0.013 | 68.799 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | L | 347 | SER | 0 | 0.075 | 0.022 | 65.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | L | 348 | ALA | 0 | 0.007 | 0.002 | 67.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | L | 349 | VAL | 0 | 0.040 | 0.027 | 69.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | L | 350 | CYS | 0 | 0.005 | 0.004 | 68.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | L | 351 | LYS | 1 | 0.886 | 0.944 | 63.117 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | L | 352 | LEU | 0 | -0.009 | 0.007 | 68.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | L | 353 | VAL | 0 | 0.050 | 0.021 | 71.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | L | 354 | ARG | 1 | 0.996 | 1.010 | 64.404 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | L | 355 | GLN | 0 | -0.005 | 0.006 | 69.251 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | L | 356 | LEU | 0 | 0.022 | 0.005 | 70.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | L | 357 | GLN | 0 | 0.011 | 0.020 | 71.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | L | 358 | GLN | 0 | -0.014 | -0.023 | 66.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | L | 359 | GLN | 0 | 0.019 | 0.012 | 71.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | L | 360 | ALA | 0 | 0.061 | 0.049 | 73.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | L | 361 | LEU | 0 | -0.024 | -0.008 | 71.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | L | 362 | SER | 0 | -0.056 | -0.050 | 73.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | L | 363 | LEU | 0 | 0.035 | 0.021 | 75.109 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | L | 364 | GLN | 0 | 0.000 | 0.000 | 78.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | L | 365 | VAL | 0 | 0.011 | -0.003 | 75.146 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | L | 366 | HIS | 0 | -0.085 | -0.039 | 78.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | L | 367 | PHE | 0 | 0.070 | 0.014 | 80.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | L | 368 | GLU | -1 | -0.791 | -0.883 | 80.054 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | L | 369 | ARG | 1 | 0.878 | 0.955 | 75.724 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | L | 370 | SER | 0 | 0.045 | 0.023 | 82.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | L | 371 | GLU | -1 | -0.764 | -0.882 | 85.548 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | L | 372 | ARG | 1 | 0.881 | 0.950 | 79.204 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | L | 373 | VAL | 0 | -0.010 | 0.000 | 85.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | L | 374 | LEU | 0 | 0.016 | -0.005 | 87.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | L | 375 | SER | 0 | -0.054 | -0.035 | 88.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | L | 376 | GLY | 0 | 0.012 | 0.004 | 90.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | L | 377 | LEU | 0 | -0.028 | -0.008 | 84.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | L | 378 | GLN | 0 | -0.047 | -0.037 | 82.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | L | 379 | ALA | 0 | -0.007 | 0.012 | 85.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | L | 380 | SER | 0 | 0.013 | 0.014 | 85.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | L | 381 | SER | 0 | 0.010 | -0.011 | 88.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | L | 382 | LEU | 0 | 0.050 | 0.029 | 90.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | L | 383 | PRO | 0 | 0.017 | -0.002 | 91.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | L | 384 | GLU | -1 | -0.889 | -0.940 | 84.298 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | L | 385 | ALA | 0 | -0.011 | -0.005 | 87.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | L | 386 | LEU | 0 | -0.012 | 0.004 | 89.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | L | 387 | ALA | 0 | 0.020 | 0.029 | 85.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | L | 388 | GLY | 0 | -0.002 | -0.009 | 84.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | L | 389 | ALA | 0 | -0.012 | -0.004 | 85.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | L | 390 | THR | 0 | -0.011 | -0.012 | 86.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | L | 391 | GLN | 0 | -0.005 | -0.012 | 81.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | L | 392 | LEU | 0 | -0.052 | -0.018 | 82.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | L | 393 | LEU | 0 | 0.007 | -0.007 | 84.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | L | 394 | SER | 0 | 0.011 | 0.010 | 81.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | L | 395 | HIS | 0 | -0.011 | 0.015 | 76.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | L | 396 | LEU | 0 | 0.016 | -0.002 | 80.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | L | 397 | ASP | -1 | -0.769 | -0.849 | 83.047 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | L | 398 | ASP | -1 | -0.843 | -0.918 | 78.459 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | L | 399 | PHE | 0 | -0.070 | -0.030 | 76.648 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | L | 400 | THR | 0 | -0.007 | -0.011 | 79.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | L | 401 | ALA | 0 | 0.078 | 0.037 | 80.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | L | 402 | THR | 0 | -0.136 | -0.096 | 74.687 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | L | 403 | LEU | 0 | -0.030 | -0.009 | 76.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | L | 404 | GLU | -1 | -0.894 | -0.950 | 79.256 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | L | 405 | ARG | 1 | 0.858 | 0.941 | 73.701 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | L | 406 | ARG | 1 | 0.821 | 0.894 | 69.507 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | L | 407 | GLY | 0 | 0.008 | 0.017 | 76.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | L | 408 | VAL | 0 | -0.104 | -0.046 | 78.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | L | 409 | PHE | 0 | 0.056 | 0.022 | 80.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | L | 410 | PHE | 0 | 0.009 | -0.005 | 83.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | L | 411 | ASN | 0 | -0.010 | -0.005 | 86.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | L | 412 | ASP | -1 | -0.794 | -0.878 | 88.397 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | L | 413 | ALA | 0 | 0.009 | 0.008 | 90.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | L | 414 | LYS | 1 | 0.892 | 0.945 | 88.932 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | L | 415 | ILE | 0 | 0.000 | -0.007 | 93.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | L | 416 | GLU | -1 | -0.875 | -0.946 | 92.796 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | L | 417 | ARG | 1 | 0.745 | 0.833 | 88.547 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | L | 418 | ARG | 1 | 0.786 | 0.849 | 92.573 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | L | 419 | ARG | 1 | 0.859 | 0.928 | 95.909 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | L | 420 | TYR | 0 | 0.041 | 0.010 | 89.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | L | 421 | GLU | -1 | -0.801 | -0.892 | 92.297 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | L | 422 | GLN | 0 | -0.015 | 0.001 | 94.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | L | 423 | HIS | 1 | 0.849 | 0.907 | 97.352 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | L | 424 | LEU | 0 | -0.009 | 0.008 | 91.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | L | 425 | GLU | -1 | -0.834 | -0.885 | 95.705 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | L | 426 | GLN | 0 | -0.045 | -0.002 | 97.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | L | 427 | ILE | 0 | -0.035 | -0.008 | 96.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | L | 445 | ASN | 0 | -0.016 | -0.012 | 99.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | L | 446 | LEU | 0 | 0.004 | -0.003 | 93.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | L | 447 | GLU | -1 | -0.761 | -0.884 | 95.432 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | L | 448 | SER | 0 | -0.036 | -0.032 | 96.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | L | 449 | LEU | 0 | -0.011 | 0.001 | 93.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | L | 450 | LEU | 0 | 0.000 | 0.002 | 90.612 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | L | 451 | ASP | -1 | -0.898 | -0.946 | 92.702 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | L | 452 | ASP | -1 | -0.827 | -0.910 | 94.235 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | L | 453 | VAL | 0 | -0.024 | -0.004 | 88.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | L | 454 | GLN | 0 | -0.020 | -0.012 | 89.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | L | 455 | LEU | 0 | -0.022 | -0.010 | 90.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | L | 456 | LEU | 0 | 0.026 | 0.011 | 88.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | L | 457 | LYS | 1 | 0.771 | 0.899 | 83.698 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | L | 458 | ARG | 1 | 0.934 | 0.964 | 86.818 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | L | 459 | HIS | 0 | 0.033 | 0.009 | 88.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | L | 460 | THR | 0 | 0.000 | -0.017 | 83.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | L | 461 | LEU | 0 | -0.037 | -0.013 | 83.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | L | 462 | ILE | 0 | -0.019 | -0.014 | 84.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | L | 463 | THR | 0 | 0.015 | 0.008 | 85.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | L | 464 | LEU | 0 | -0.024 | -0.014 | 79.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | L | 465 | ARG | 1 | 0.871 | 0.943 | 81.693 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | L | 466 | LEU | 0 | 0.050 | 0.031 | 82.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | L | 467 | ILE | 0 | -0.022 | -0.001 | 79.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | L | 468 | PHE | 0 | -0.010 | -0.027 | 75.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | L | 469 | GLU | -1 | -0.817 | -0.889 | 78.955 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | L | 470 | ARG | 1 | 0.937 | 0.967 | 79.995 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | L | 471 | LEU | 0 | -0.052 | -0.023 | 76.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | L | 472 | VAL | 0 | -0.001 | -0.001 | 75.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | L | 473 | ARG | 1 | 0.823 | 0.900 | 77.255 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | L | 474 | VAL | 0 | -0.032 | -0.013 | 75.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | L | 475 | LEU | 0 | 0.005 | 0.013 | 70.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | L | 476 | VAL | 0 | 0.025 | 0.003 | 74.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | L | 477 | ILE | 0 | 0.048 | 0.031 | 76.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | L | 478 | SER | 0 | -0.037 | -0.036 | 73.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | L | 479 | ILE | 0 | -0.060 | -0.002 | 72.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | L | 480 | GLU | -1 | -0.778 | -0.842 | 74.199 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | L | 481 | GLN | 0 | 0.004 | 0.012 | 76.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | L | 482 | SER | 0 | -0.068 | -0.056 | 71.247 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | L | 483 | GLN | 0 | -0.020 | -0.009 | 71.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | L | 484 | CYS | 0 | -0.002 | 0.009 | 65.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | L | 485 | ASP | -1 | -0.730 | -0.856 | 66.364 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | L | 486 | LEU | 0 | -0.014 | -0.006 | 60.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | L | 487 | LEU | 0 | 0.023 | -0.003 | 64.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | L | 488 | LEU | 0 | 0.041 | 0.038 | 66.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | L | 489 | ARG | 1 | 0.874 | 0.922 | 62.880 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | L | 490 | ALA | 0 | -0.013 | 0.006 | 64.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | L | 491 | ASN | 0 | 0.018 | -0.002 | 65.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | L | 492 | ILE | 0 | 0.067 | 0.030 | 68.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | L | 493 | ASN | 0 | -0.007 | -0.017 | 64.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | L | 494 | MET | 0 | -0.061 | -0.007 | 65.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | L | 495 | VAL | 0 | 0.039 | 0.032 | 67.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | L | 496 | ALA | 0 | 0.025 | 0.016 | 66.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | L | 497 | THR | 0 | -0.091 | -0.061 | 64.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | L | 498 | LEU | 0 | -0.093 | -0.060 | 66.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | L | 499 | MET | 0 | -0.006 | 0.019 | 69.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | L | 500 | ASN | 0 | -0.041 | -0.007 | 64.390 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | L | 501 | ILE | 0 | -0.026 | -0.018 | 66.056 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | L | 502 | ASP | -1 | -0.729 | -0.832 | 69.930 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | L | 503 | TYR | 0 | -0.032 | -0.040 | 69.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | L | 504 | ASP | -1 | -0.853 | -0.924 | 75.814 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | L | 505 | GLY | 0 | -0.056 | -0.019 | 78.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | L | 506 | PHE | 0 | -0.013 | -0.029 | 79.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | L | 507 | ARG | 1 | 0.838 | 0.930 | 73.959 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | L | 508 | SER | 0 | -0.010 | 0.013 | 75.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | L | 509 | LEU | 0 | 0.016 | -0.011 | 73.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | L | 510 | SER | 0 | -0.011 | -0.028 | 77.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | L | 511 | ASP | -1 | -0.818 | -0.901 | 78.120 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | L | 512 | ALA | 0 | 0.030 | 0.023 | 78.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | L | 513 | PHE | 0 | 0.010 | -0.013 | 73.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | L | 514 | VAL | 0 | -0.003 | 0.010 | 79.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | L | 515 | GLN | 0 | -0.008 | -0.005 | 82.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | L | 516 | ASN | 0 | -0.085 | -0.069 | 80.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | L | 517 | GLU | -1 | -0.844 | -0.897 | 81.651 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | L | 518 | ALA | 0 | 0.025 | 0.007 | 76.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | L | 519 | VAL | 0 | -0.014 | -0.002 | 77.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | L | 520 | ARG | 1 | 0.833 | 0.884 | 79.177 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | L | 521 | THR | 0 | -0.052 | -0.048 | 76.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | L | 522 | LEU | 0 | -0.065 | -0.046 | 72.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | L | 523 | LEU | 0 | 0.015 | -0.002 | 75.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | L | 524 | VAL | 0 | 0.019 | 0.026 | 78.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | L | 525 | VAL | 0 | -0.045 | -0.017 | 72.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | L | 526 | VAL | 0 | -0.040 | -0.034 | 72.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | L | 527 | LEU | 0 | -0.009 | 0.012 | 74.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | L | 528 | ASP | -1 | -0.859 | -0.931 | 76.535 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | L | 529 | HIS | 0 | -0.093 | -0.038 | 68.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | L | 530 | LYS | 1 | 0.928 | 0.949 | 69.385 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | L | 531 | GLN | 0 | -0.025 | -0.013 | 64.656 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | L | 532 | SER | 0 | 0.059 | 0.003 | 66.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | L | 533 | SER | 0 | 0.022 | -0.004 | 62.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | L | 534 | VAL | 0 | -0.047 | -0.026 | 64.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | L | 535 | ARG | 1 | 0.775 | 0.866 | 67.428 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | L | 536 | ALA | 0 | 0.016 | 0.012 | 65.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | L | 537 | LEU | 0 | -0.054 | -0.027 | 62.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | L | 538 | ALA | 0 | 0.040 | 0.021 | 66.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | L | 539 | LEU | 0 | 0.025 | 0.015 | 69.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | L | 540 | ARG | 1 | 0.906 | 0.951 | 63.243 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | L | 541 | ALA | 0 | -0.008 | -0.005 | 68.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | L | 542 | LEU | 0 | 0.036 | 0.026 | 70.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | L | 543 | ALA | 0 | 0.030 | 0.026 | 70.025 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | L | 544 | THR | 0 | -0.085 | -0.058 | 68.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | L | 545 | LEU | 0 | 0.021 | -0.002 | 71.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | L | 546 | CYS | 0 | -0.087 | -0.038 | 74.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | L | 547 | CYS | 0 | -0.057 | -0.022 | 74.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | L | 548 | ALA | 0 | 0.049 | 0.026 | 76.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | L | 549 | PRO | 0 | 0.039 | 0.000 | 79.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | L | 550 | GLN | 0 | -0.027 | -0.012 | 83.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | L | 551 | ALA | 0 | 0.031 | 0.022 | 79.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | L | 552 | ILE | 0 | 0.045 | 0.026 | 79.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | L | 553 | ASN | 0 | 0.017 | 0.005 | 81.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | L | 554 | GLN | 0 | -0.023 | 0.000 | 82.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | L | 555 | LEU | 0 | 0.034 | 0.013 | 77.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | L | 556 | GLY | 0 | -0.010 | -0.012 | 82.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | L | 557 | SER | 0 | -0.049 | -0.041 | 84.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | L | 558 | CYS | 0 | -0.085 | -0.036 | 83.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | L | 559 | GLY | 0 | 0.046 | 0.031 | 84.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | L | 560 | GLY | 0 | 0.010 | -0.013 | 80.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | L | 561 | ILE | 0 | -0.017 | -0.018 | 79.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | L | 562 | GLU | -1 | -0.803 | -0.863 | 80.325 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | L | 563 | ILE | 0 | 0.044 | 0.030 | 77.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | L | 564 | VAL | 0 | -0.033 | -0.033 | 74.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | L | 565 | ARG | 1 | 0.733 | 0.825 | 75.805 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | L | 566 | ASP | -1 | -0.784 | -0.889 | 77.402 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | L | 567 | ILE | 0 | -0.128 | -0.051 | 71.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | L | 568 | LEU | 0 | -0.068 | -0.043 | 71.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | L | 569 | GLN | 0 | -0.018 | 0.003 | 73.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | L | 570 | VAL | 0 | 0.002 | -0.006 | 75.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | L | 571 | GLU | -1 | -0.949 | -0.976 | 76.627 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | L | 572 | SER | -1 | -0.850 | -0.913 | 73.249 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | L | 573 | ALA | 0 | -0.022 | -0.018 | 73.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | L | 574 | GLY | 0 | -0.023 | -0.020 | 70.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | L | 575 | GLU | -1 | -0.825 | -0.890 | 69.771 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | L | 576 | ARG | 1 | 0.832 | 0.937 | 68.582 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | L | 577 | GLY | 0 | 0.052 | 0.016 | 66.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | L | 578 | ALA | 0 | -0.014 | -0.014 | 61.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | L | 579 | ILE | 0 | 0.012 | 0.007 | 60.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | L | 580 | GLU | -1 | -0.693 | -0.813 | 63.629 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | L | 581 | ARG | 1 | 0.891 | 0.949 | 67.159 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | L | 582 | ARG | 1 | 0.842 | 0.906 | 59.883 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | L | 583 | GLU | -1 | -0.815 | -0.900 | 64.609 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | L | 584 | ALA | 0 | 0.043 | 0.051 | 67.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | L | 585 | VAL | 0 | 0.013 | 0.001 | 68.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | L | 586 | SER | 0 | -0.097 | -0.050 | 67.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | L | 587 | LEU | 0 | 0.022 | 0.007 | 69.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | L | 588 | LEU | 0 | 0.016 | 0.005 | 72.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | L | 589 | ALA | 0 | 0.006 | 0.017 | 71.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | L | 590 | GLN | 0 | -0.026 | -0.014 | 71.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | L | 591 | ILE | 0 | -0.020 | -0.011 | 74.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | L | 592 | THR | 0 | -0.056 | -0.054 | 76.592 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | L | 593 | ALA | 0 | -0.015 | 0.004 | 74.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | L | 594 | ALA | 0 | -0.015 | -0.003 | 76.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | L | 595 | TRP | 0 | -0.042 | -0.030 | 80.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | L | 596 | HIS | 0 | 0.036 | 0.029 | 74.196 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | L | 597 | GLY | 0 | 0.020 | 0.013 | 77.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | L | 598 | SER | 0 | 0.024 | 0.000 | 76.632 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | L | 599 | GLU | -1 | -0.777 | -0.876 | 69.961 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | L | 600 | HIS | 0 | 0.025 | 0.013 | 73.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | L | 601 | ARG | 1 | 0.813 | 0.893 | 75.147 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | L | 602 | VAL | 0 | 0.033 | 0.026 | 69.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | L | 603 | PRO | 0 | -0.009 | 0.002 | 69.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | L | 604 | GLY | 0 | 0.079 | 0.057 | 70.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | L | 605 | LEU | 0 | -0.054 | -0.027 | 70.327 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | L | 606 | ARG | 1 | 0.787 | 0.870 | 65.163 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | L | 607 | ASP | -1 | -0.920 | -0.958 | 66.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | L | 608 | CYS | 0 | -0.112 | -0.042 | 67.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |