FMODB ID: 1JKMZ
Calculation Name: 6XKQ-AHL-Xray177
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 6XKQ
Chain ID: AHL
Base Structure: X-ray
Registration Date: 2020-11-02
Reference: K. Watanabe, K. Kato Y. Handa, Y. Kawashima, K. Fukuzawa, C. Watanabe, T. Honma, , To be published
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | Water(s) essential for molecular recognition. |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 658 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -11873663.678287 |
---|---|
FMO2-HF: Nuclear repulsion | 11644292.899537 |
FMO2-HF: Total energy | -229370.77875 |
FMO2-MP2: Total energy | -230038.147944 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-151 : frag 152-581)
"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. |
-492.1016 | -458.4269 | 193.3002 | -86.3847 | -140.5902 | 0.0698 |
Interactive mode: IFIE and PIEDA for fragment #1(A:338:PHE )
Summations of interaction energy for
fragment #1(A:338:PHE )
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. |
-7.947 | -0.186 | 1.871 | -2.649 | -6.983 | 0.002 |
Interaction energy analysis for fragmet #1(A:338:PHE )
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 | 340 | GLU | -1 | -0.822 | -0.901 | 3.203 | -3.199 | -0.904 | -0.006 | -0.920 | -1.369 | 0.001 |
4 | A | 341 | VAL | 0 | -0.040 | -0.012 | 3.051 | -0.972 | 0.149 | 0.109 | -0.289 | -0.941 | 0.000 |
5 | A | 342 | PHE | 0 | 0.030 | -0.004 | 2.349 | -1.797 | 0.361 | 1.270 | -0.890 | -2.538 | 0.000 |
6 | A | 343 | ASN | 0 | -0.043 | -0.014 | 5.610 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 344 | ALA | 0 | 0.006 | 0.026 | 7.798 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 345 | THR | 0 | 0.030 | 0.005 | 9.270 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 346 | ARG | 1 | 0.842 | 0.914 | 13.062 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 347 | PHE | 0 | 0.059 | 0.032 | 8.313 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 348 | ALA | 0 | -0.022 | 0.010 | 13.158 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 349 | SER | 0 | 0.015 | -0.013 | 15.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 350 | VAL | 0 | 0.013 | 0.011 | 16.730 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 351 | TYR | 0 | 0.024 | 0.012 | 17.793 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 352 | ALA | 0 | -0.040 | -0.011 | 18.563 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 353 | TRP | 0 | -0.046 | 0.001 | 12.412 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 354 | ASN | 0 | 0.009 | -0.002 | 10.884 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 355 | ARG | 1 | 0.877 | 0.926 | 9.861 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 356 | LYS | 1 | 0.812 | 0.901 | 5.062 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 367 | VAL | 0 | -0.006 | -0.016 | 5.849 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 368 | LEU | 0 | 0.031 | 0.003 | 2.906 | -1.109 | 0.088 | 0.162 | -0.299 | -1.060 | 0.001 |
22 | A | 369 | TYR | 0 | -0.001 | 0.006 | 7.274 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 370 | ASN | 0 | -0.031 | -0.008 | 10.431 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 371 | SER | 0 | 0.060 | 0.026 | 8.569 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 372 | ALA | 0 | 0.019 | 0.013 | 10.623 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 373 | SER | 0 | -0.027 | -0.011 | 8.879 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 374 | PHE | 0 | -0.047 | -0.028 | 10.422 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 375 | SER | 0 | 0.003 | -0.001 | 12.231 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 376 | THR | 0 | -0.068 | -0.039 | 14.145 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 377 | PHE | 0 | 0.043 | 0.021 | 7.970 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 378 | LYS | 1 | 0.956 | 0.994 | 13.084 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 432 | CYS | 0 | -0.081 | -0.023 | 7.787 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 380 | TYR | 0 | 0.027 | -0.010 | 12.909 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 381 | GLY | 0 | 0.077 | 0.035 | 13.770 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 382 | VAL | 0 | -0.025 | -0.001 | 9.726 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 397 | ALA | 0 | 0.009 | 0.006 | 3.603 | -0.343 | -0.151 | 0.002 | -0.035 | -0.159 | 0.000 |
37 | A | 398 | ASP | -1 | -0.797 | -0.868 | 5.675 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 399 | SER | 0 | -0.031 | -0.010 | 8.002 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 400 | PHE | 0 | 0.000 | -0.010 | 10.040 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 401 | VAL | 0 | 0.003 | 0.016 | 13.315 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 402 | ILE | 0 | -0.018 | -0.001 | 16.035 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 403 | ARG | 1 | 0.905 | 0.942 | 18.784 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 404 | GLY | 0 | 0.043 | 0.021 | 19.978 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 405 | ASP | -1 | -0.864 | -0.943 | 21.049 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 406 | GLU | -1 | -0.861 | -0.899 | 21.368 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 407 | VAL | 0 | 0.015 | 0.006 | 16.326 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 408 | ARG | 1 | 0.823 | 0.910 | 18.237 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 409 | GLN | 0 | -0.025 | -0.027 | 20.599 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 410 | ILE | 0 | -0.040 | -0.006 | 13.949 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 411 | ALA | 0 | 0.000 | -0.019 | 15.887 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 412 | PRO | 0 | -0.002 | 0.015 | 16.642 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 413 | GLY | 0 | 0.085 | 0.050 | 19.275 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 414 | GLN | 0 | -0.102 | -0.015 | 20.929 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 415 | THR | 0 | 0.035 | 0.009 | 23.272 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 416 | GLY | 0 | 0.012 | -0.005 | 25.503 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 417 | LYS | 1 | 0.911 | 0.956 | 25.546 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 418 | ILE | 0 | -0.005 | 0.007 | 19.547 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 419 | ALA | 0 | 0.081 | 0.042 | 20.572 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 420 | ASP | -1 | -0.808 | -0.887 | 21.646 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 421 | TYR | 0 | -0.045 | -0.011 | 24.216 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 422 | ASN | 0 | -0.034 | 0.008 | 20.225 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 423 | TYR | 0 | 0.012 | -0.036 | 11.541 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 424 | LYS | 1 | 0.854 | 0.929 | 18.074 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 425 | LEU | 0 | -0.004 | 0.005 | 13.018 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 426 | PRO | 0 | -0.023 | -0.015 | 15.879 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 427 | ASP | -1 | -0.820 | -0.949 | 18.177 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 428 | ASP | -1 | -0.949 | -0.959 | 19.225 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 429 | PHE | 0 | -0.090 | -0.036 | 10.282 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 430 | THR | 0 | 0.006 | 0.007 | 12.030 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 431 | GLY | 0 | 0.012 | -0.010 | 9.624 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 433 | VAL | 0 | 0.001 | 0.016 | 8.653 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 434 | ILE | 0 | -0.027 | -0.016 | 6.694 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 435 | ALA | 0 | 0.046 | 0.015 | 10.480 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 436 | TRP | 0 | -0.011 | 0.008 | 8.083 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 437 | ASN | 0 | -0.010 | 0.008 | 13.679 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 438 | SER | 0 | 0.012 | -0.026 | 14.643 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 439 | ASN | 0 | 0.026 | 0.027 | 16.594 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 440 | ASN | 0 | -0.029 | -0.009 | 18.605 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 441 | LEU | 0 | -0.008 | 0.006 | 14.387 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 442 | ASP | -1 | -0.764 | -0.813 | 16.368 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 443 | SER | 0 | 0.028 | -0.009 | 19.721 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 444 | LYS | 1 | 0.956 | 0.988 | 23.357 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 445 | VAL | 0 | 0.063 | 0.013 | 26.455 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 446 | GLY | 0 | 0.025 | 0.022 | 29.726 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 447 | GLY | 0 | 0.041 | 0.022 | 28.164 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 448 | ASN | 0 | -0.095 | -0.059 | 21.091 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 449 | TYR | 0 | -0.012 | -0.013 | 24.904 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 450 | ASN | 0 | -0.016 | 0.003 | 22.290 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 451 | TYR | 0 | -0.040 | -0.022 | 16.513 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 452 | LEU | 0 | 0.002 | -0.002 | 21.761 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 453 | TYR | 0 | 0.028 | 0.023 | 21.768 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 454 | ARG | 1 | 0.782 | 0.856 | 23.576 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 455 | LEU | 0 | -0.006 | -0.002 | 25.884 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 456 | PHE | 0 | 0.018 | 0.014 | 29.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 457 | ARG | 1 | 0.818 | 0.885 | 26.117 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 458 | LYS | 1 | 0.882 | 0.931 | 30.467 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 459 | SER | 0 | 0.002 | 0.010 | 29.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 460 | ASN | 0 | 0.013 | -0.010 | 26.034 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 461 | LEU | 0 | -0.082 | -0.007 | 21.004 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 462 | LYS | 1 | 0.895 | 0.929 | 22.975 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 463 | PRO | 0 | 0.018 | -0.015 | 18.496 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 464 | PHE | 0 | -0.010 | 0.000 | 11.876 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 465 | GLU | -1 | -0.789 | -0.845 | 16.663 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 466 | ARG | 1 | 0.876 | 0.938 | 16.339 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 467 | ASP | -1 | -0.739 | -0.830 | 19.733 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 468 | ILE | 0 | -0.009 | -0.008 | 20.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 469 | SER | 0 | -0.032 | -0.021 | 23.678 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 470 | THR | 0 | 0.009 | -0.006 | 27.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 471 | GLU | -1 | -0.814 | -0.868 | 29.894 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 472 | ILE | 0 | -0.023 | -0.013 | 32.970 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 473 | TYR | 0 | -0.028 | -0.011 | 33.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 474 | GLN | 0 | -0.018 | -0.032 | 35.819 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 475 | ALA | 0 | -0.020 | -0.001 | 38.879 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 476 | GLY | 0 | 0.039 | 0.032 | 40.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 477 | SER | 0 | -0.070 | -0.054 | 43.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 478 | THR | 0 | -0.048 | -0.032 | 46.046 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 479 | PRO | 0 | 0.003 | 0.009 | 43.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 488 | CYS | 0 | -0.036 | 0.006 | 39.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 481 | ASN | 0 | -0.018 | -0.019 | 41.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 482 | GLY | 0 | 0.012 | 0.013 | 38.009 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 483 | VAL | 0 | -0.020 | -0.006 | 38.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 484 | GLU | -1 | -0.883 | -0.936 | 35.494 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 485 | GLY | 0 | 0.003 | -0.015 | 39.162 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 486 | PHE | 0 | 0.030 | 0.023 | 40.998 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 487 | ASN | 0 | 0.064 | 0.039 | 41.644 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 489 | TYR | 0 | -0.009 | -0.002 | 35.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 490 | PHE | 0 | 0.075 | 0.029 | 29.103 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 491 | PRO | 0 | -0.027 | 0.005 | 29.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 492 | LEU | 0 | -0.038 | -0.013 | 25.079 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 493 | GLN | 0 | 0.020 | -0.003 | 27.160 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 494 | SER | 0 | -0.040 | -0.031 | 26.152 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 495 | TYR | 0 | 0.024 | -0.024 | 21.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 496 | GLY | 0 | -0.011 | -0.001 | 25.874 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 497 | PHE | 0 | -0.019 | 0.002 | 21.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 498 | GLN | 0 | 0.051 | 0.023 | 25.273 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 499 | PRO | 0 | 0.003 | 0.010 | 25.128 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 500 | THR | 0 | 0.018 | -0.005 | 26.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 501 | ASN | 0 | 0.005 | 0.014 | 26.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 502 | GLY | 0 | 0.070 | 0.038 | 27.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 503 | VAL | 0 | 0.049 | 0.012 | 22.735 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 504 | GLY | 0 | 0.057 | 0.039 | 23.374 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 505 | TYR | 0 | -0.013 | -0.021 | 24.530 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 506 | GLN | 0 | -0.071 | -0.028 | 21.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 507 | PRO | 0 | -0.009 | 0.006 | 18.719 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 508 | TYR | 0 | 0.016 | 0.002 | 16.123 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 509 | ARG | 1 | 0.773 | 0.881 | 11.499 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 510 | VAL | 0 | -0.003 | -0.011 | 11.690 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 511 | VAL | 0 | -0.003 | -0.017 | 4.883 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 512 | VAL | 0 | -0.002 | 0.011 | 8.288 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 513 | LEU | 0 | -0.015 | -0.015 | 2.623 | -1.059 | -0.261 | 0.334 | -0.216 | -0.916 | 0.000 |
151 | A | 514 | SER | 0 | 0.058 | 0.025 | 5.988 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | H | 1 | GLN | 0 | -0.047 | -0.036 | 53.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | H | 2 | VAL | 0 | -0.011 | 0.000 | 55.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | H | 3 | GLN | 0 | 0.025 | 0.028 | 56.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | H | 4 | LEU | 0 | -0.013 | 0.002 | 54.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | H | 5 | VAL | 0 | 0.030 | 0.022 | 59.365 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | H | 6 | GLN | 0 | 0.002 | -0.031 | 59.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | H | 7 | SER | 0 | 0.023 | 0.024 | 62.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | H | 8 | GLU | -1 | -0.910 | -0.951 | 65.811 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | H | 9 | ALA | 0 | -0.049 | -0.021 | 67.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | H | 10 | GLU | -1 | -0.764 | -0.873 | 66.487 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | H | 11 | VAL | 0 | -0.045 | -0.025 | 68.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | H | 12 | LYS | 1 | 0.800 | 0.903 | 67.031 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | H | 13 | GLU | -1 | -0.910 | -0.942 | 69.922 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | H | 14 | PRO | 0 | -0.016 | -0.031 | 67.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | H | 15 | GLY | 0 | -0.030 | -0.011 | 66.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | H | 16 | ALA | 0 | 0.002 | 0.012 | 66.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | H | 17 | SER | 0 | 0.027 | 0.005 | 63.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | H | 18 | VAL | 0 | -0.051 | -0.012 | 62.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | H | 19 | GLU | -1 | -0.930 | -0.964 | 61.339 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | H | 20 | VAL | 0 | -0.058 | -0.011 | 60.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | H | 21 | SER | 0 | 0.031 | 0.007 | 60.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | H | 92 | CYS | 0 | -0.012 | -0.002 | 54.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | H | 23 | LYS | 1 | 0.934 | 0.983 | 59.193 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | H | 24 | ALA | 0 | 0.029 | -0.001 | 57.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | H | 25 | SER | 0 | -0.056 | -0.035 | 58.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | H | 26 | GLY | 0 | 0.005 | 0.006 | 60.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | H | 27 | TYR | 0 | -0.085 | -0.041 | 55.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | H | 28 | ASN | 0 | 0.084 | 0.035 | 54.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | H | 29 | PHE | 0 | 0.019 | -0.007 | 53.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | H | 30 | THR | 0 | 0.004 | -0.007 | 50.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | H | 31 | ASN | 0 | -0.063 | -0.041 | 48.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | H | 32 | PHE | 0 | -0.025 | -0.011 | 48.574 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | H | 33 | ALA | 0 | -0.010 | 0.021 | 45.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | H | 34 | ILE | 0 | -0.008 | -0.015 | 47.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | H | 35 | SER | 0 | 0.026 | -0.002 | 47.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | H | 36 | TRP | 0 | 0.019 | 0.011 | 50.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | H | 37 | VAL | 0 | -0.011 | -0.009 | 50.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | H | 38 | ARG | 1 | 0.820 | 0.899 | 53.297 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | H | 39 | GLN | 0 | 0.005 | 0.000 | 55.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | H | 40 | ALA | 0 | 0.023 | 0.018 | 57.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 41 | PRO | 0 | 0.000 | -0.018 | 60.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 42 | GLY | 0 | 0.006 | 0.009 | 61.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 43 | GLN | 0 | -0.046 | -0.012 | 56.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 44 | GLY | 0 | 0.065 | 0.036 | 53.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 45 | LEU | 0 | -0.031 | -0.004 | 51.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 46 | GLU | -1 | -0.768 | -0.856 | 50.998 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 47 | TRP | 0 | 0.008 | 0.007 | 44.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 48 | MET | 0 | -0.029 | -0.016 | 49.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 49 | GLY | 0 | 0.037 | 0.002 | 47.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 50 | TRP | 0 | -0.056 | -0.033 | 42.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 51 | ILE | 0 | 0.037 | 0.022 | 47.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 52 | SER | 0 | -0.064 | -0.025 | 44.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 52 | GLY | 0 | 0.027 | 0.013 | 47.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 53 | TYR | 0 | -0.048 | -0.011 | 42.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 54 | ASN | 0 | 0.003 | -0.009 | 42.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 55 | GLY | 0 | 0.037 | 0.028 | 46.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 56 | ASP | -1 | -0.932 | -0.966 | 41.403 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 57 | THR | 0 | -0.013 | -0.013 | 44.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 58 | ASN | 0 | -0.028 | -0.017 | 42.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 59 | SER | 0 | 0.011 | -0.002 | 45.538 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 60 | ALA | 0 | 0.008 | 0.012 | 46.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 61 | GLN | 0 | 0.038 | -0.002 | 44.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 62 | LYS | 1 | 0.812 | 0.900 | 47.442 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 63 | PHE | 0 | -0.003 | -0.008 | 50.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 64 | LEU | 0 | 0.011 | 0.024 | 46.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | H | 65 | GLY | 0 | 0.027 | 0.019 | 50.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | H | 66 | ARG | 1 | 0.770 | 0.859 | 53.077 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | H | 67 | VAL | 0 | -0.012 | 0.001 | 52.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | H | 68 | THR | 0 | -0.020 | -0.024 | 53.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | H | 69 | MET | 0 | -0.058 | -0.006 | 49.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | H | 70 | THR | 0 | 0.026 | 0.011 | 53.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | H | 71 | THR | 0 | 0.026 | -0.001 | 52.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | H | 72 | ASP | -1 | -0.754 | -0.843 | 55.291 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | H | 73 | THR | 0 | -0.021 | -0.027 | 53.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | H | 74 | SER | 0 | -0.030 | -0.028 | 56.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | H | 75 | THR | 0 | -0.038 | -0.015 | 59.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | H | 76 | THR | 0 | -0.098 | -0.050 | 57.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | H | 77 | THR | 0 | -0.030 | -0.013 | 58.563 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | H | 78 | ALA | 0 | -0.007 | 0.002 | 55.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | H | 79 | TYR | 0 | 0.028 | -0.003 | 56.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | H | 80 | MET | 0 | -0.034 | 0.001 | 55.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | H | 81 | GLU | -1 | -0.774 | -0.864 | 57.602 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | H | 82 | LEU | 0 | -0.002 | -0.010 | 56.855 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | H | 82 | ARG | 1 | 0.828 | 0.885 | 55.597 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | H | 82 | SER | 0 | -0.036 | -0.019 | 60.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | H | 82 | LEU | 0 | -0.040 | -0.011 | 61.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | H | 83 | ARG | 1 | 0.867 | 0.901 | 59.165 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | H | 84 | SER | 0 | 0.083 | 0.028 | 63.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | H | 85 | ASP | -1 | -0.816 | -0.878 | 59.573 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | H | 86 | ASP | -1 | -0.774 | -0.845 | 59.364 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | H | 87 | THR | 0 | 0.013 | 0.031 | 61.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | H | 88 | ALA | 0 | 0.000 | 0.007 | 59.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | H | 89 | VAL | 0 | -0.015 | 0.012 | 60.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | H | 90 | TYR | 0 | -0.004 | -0.034 | 57.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | H | 91 | TYR | 0 | 0.008 | 0.021 | 55.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | H | 93 | ALA | 0 | 0.018 | -0.005 | 51.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | H | 94 | GLY | 0 | 0.022 | -0.004 | 50.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | H | 95 | SER | 0 | -0.018 | -0.006 | 46.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | H | 96 | ASP | -1 | -0.721 | -0.793 | 47.443 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | H | 97 | ASN | 0 | -0.001 | -0.027 | 41.195 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | H | 98 | TYR | 0 | 0.029 | 0.025 | 42.365 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | H | 99 | GLY | 0 | 0.011 | 0.013 | 40.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | H | 100 | PHE | 0 | 0.006 | 0.014 | 39.449 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | H | 100 | PRO | 0 | 0.022 | 0.020 | 40.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | H | 100 | TYR | 0 | 0.033 | 0.016 | 36.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | H | 100 | ASN | 0 | -0.035 | -0.041 | 39.704 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | H | 100 | GLY | 0 | 0.010 | 0.031 | 41.712 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | H | 100 | MET | 0 | -0.066 | -0.038 | 44.872 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | H | 101 | ASP | -1 | -0.854 | -0.932 | 48.245 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | H | 102 | VAL | 0 | -0.067 | -0.027 | 49.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | H | 103 | TRP | 0 | -0.004 | -0.011 | 50.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | H | 104 | GLY | 0 | 0.084 | 0.039 | 55.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | H | 105 | GLN | 0 | 0.003 | -0.005 | 58.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | H | 106 | GLY | 0 | -0.018 | 0.000 | 60.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | H | 107 | THR | 0 | -0.003 | -0.015 | 61.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | H | 108 | THR | 0 | -0.020 | -0.018 | 62.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | H | 109 | VAL | 0 | 0.027 | 0.029 | 63.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | H | 110 | THR | 0 | -0.029 | -0.024 | 65.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | H | 111 | VAL | 0 | -0.017 | -0.002 | 64.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | H | 112 | PHE | 0 | -0.039 | -0.013 | 68.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | H | 113 | ASN | 0 | 0.023 | -0.002 | 70.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | H | 114 | GLN | 0 | -0.014 | -0.009 | 73.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | H | 115 | ILE | 0 | -0.028 | -0.012 | 76.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | H | 116 | LYS | 1 | 0.832 | 0.913 | 75.622 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | H | 117 | PRO | 0 | 0.035 | 0.028 | 78.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | H | 118 | PRO | 0 | -0.006 | -0.005 | 78.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | H | 119 | SER | 0 | -0.044 | -0.014 | 77.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | H | 120 | VAL | 0 | 0.010 | 0.003 | 78.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | H | 121 | PHE | 0 | 0.027 | 0.015 | 76.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | H | 122 | PRO | 0 | 0.018 | 0.015 | 79.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | H | 123 | LEU | 0 | -0.040 | -0.011 | 74.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | H | 124 | ALA | 0 | 0.014 | 0.003 | 77.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | H | 125 | PRO | 0 | 0.042 | 0.030 | 78.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | H | 126 | SER | 0 | 0.023 | 0.002 | 76.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | H | 127 | SER | 0 | 0.007 | -0.004 | 77.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | H | 128 | LYS | 1 | 0.902 | 0.953 | 75.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | H | 129 | SER | 0 | -0.015 | -0.007 | 79.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | H | 130 | THR | 0 | 0.017 | 0.007 | 81.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | H | 131 | SER | 0 | 0.024 | -0.010 | 84.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | H | 132 | GLY | 0 | 0.002 | 0.003 | 85.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | H | 133 | GLY | 0 | 0.030 | 0.038 | 81.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | H | 134 | THR | 0 | -0.014 | -0.001 | 79.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | H | 135 | ALA | 0 | -0.019 | -0.011 | 79.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | H | 136 | ALA | 0 | 0.002 | 0.013 | 76.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | H | 137 | LEU | 0 | -0.004 | -0.007 | 78.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | H | 138 | GLY | 0 | 0.050 | 0.007 | 78.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | H | 195 | CYS | 0 | -0.086 | 0.002 | 78.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | H | 140 | LEU | 0 | 0.030 | 0.034 | 72.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | H | 141 | VAL | 0 | -0.028 | -0.017 | 76.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | H | 142 | LYS | 1 | 0.897 | 0.921 | 69.277 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | H | 143 | ASP | -1 | -0.771 | -0.846 | 71.574 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | H | 144 | TYR | 0 | -0.019 | -0.024 | 74.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | H | 145 | PHE | 0 | 0.017 | 0.023 | 72.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | H | 146 | PRO | 0 | 0.018 | 0.009 | 75.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | H | 147 | GLU | -1 | -0.788 | -0.880 | 74.072 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | H | 148 | PRO | 0 | -0.051 | -0.030 | 77.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | H | 149 | VAL | 0 | 0.046 | 0.004 | 78.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | H | 150 | THR | 0 | -0.046 | -0.013 | 80.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | H | 151 | VAL | 0 | -0.011 | -0.016 | 80.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | H | 152 | SER | 0 | -0.034 | -0.016 | 83.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | H | 153 | TRP | 0 | 0.029 | 0.004 | 81.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | H | 154 | ASN | 0 | -0.005 | -0.022 | 87.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | H | 155 | SER | 0 | -0.018 | -0.022 | 90.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | H | 156 | GLY | 0 | -0.005 | -0.001 | 89.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | H | 157 | ALA | 0 | -0.035 | -0.007 | 90.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | H | 158 | LEU | 0 | -0.045 | -0.009 | 86.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | H | 159 | THR | 0 | 0.026 | 0.004 | 86.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | H | 160 | SER | 0 | -0.002 | -0.006 | 84.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | H | 161 | GLY | 0 | 0.034 | 0.007 | 81.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | H | 162 | VAL | 0 | -0.021 | -0.002 | 80.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | H | 163 | HIS | 0 | -0.014 | 0.003 | 73.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | H | 164 | THR | 0 | -0.010 | -0.006 | 77.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | H | 165 | PHE | 0 | -0.009 | -0.007 | 70.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | H | 166 | PRO | 0 | 0.006 | 0.002 | 70.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | H | 167 | ALA | 0 | 0.059 | 0.045 | 71.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | H | 168 | VAL | 0 | -0.034 | -0.016 | 65.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | H | 169 | LEU | 0 | -0.028 | -0.012 | 66.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | H | 170 | GLN | 0 | -0.054 | -0.030 | 65.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | H | 171 | SER | 0 | 0.026 | -0.002 | 61.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | H | 172 | SER | 0 | -0.021 | -0.015 | 63.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | H | 173 | GLY | 0 | 0.059 | 0.031 | 66.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | H | 174 | LEU | 0 | -0.100 | -0.035 | 68.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | H | 175 | TYR | 0 | 0.048 | 0.030 | 69.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | H | 176 | SER | 0 | 0.007 | -0.007 | 70.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | H | 177 | LEU | 0 | -0.011 | 0.021 | 71.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | H | 178 | SER | 0 | 0.048 | 0.006 | 72.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | H | 179 | SER | 0 | -0.046 | -0.026 | 74.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | H | 180 | VAL | 0 | 0.010 | -0.005 | 75.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | H | 181 | VAL | 0 | 0.023 | 0.020 | 78.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | H | 182 | THR | 0 | -0.014 | -0.012 | 78.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | H | 183 | VAL | 0 | -0.004 | 0.006 | 80.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | H | 184 | PRO | 0 | 0.047 | 0.011 | 83.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | H | 185 | SER | 0 | 0.031 | 0.006 | 82.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | H | 186 | SER | 0 | -0.017 | -0.002 | 85.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | H | 187 | SER | 0 | -0.040 | -0.012 | 87.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | H | 188 | LEU | 0 | 0.010 | -0.002 | 83.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | H | 189 | GLY | 0 | -0.010 | 0.003 | 87.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | H | 190 | THR | 0 | -0.043 | -0.024 | 90.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | H | 191 | GLN | 0 | -0.007 | 0.013 | 90.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | H | 192 | THR | 0 | -0.037 | -0.011 | 90.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | H | 193 | TYR | 0 | -0.006 | -0.024 | 86.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | H | 194 | ILE | 0 | 0.003 | -0.011 | 87.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | H | 196 | ASN | 0 | 0.010 | -0.008 | 85.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | H | 197 | VAL | 0 | 0.010 | 0.005 | 81.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | H | 198 | ASN | 0 | -0.030 | -0.024 | 84.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | H | 199 | HIS | 0 | 0.033 | -0.002 | 79.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | H | 200 | LYS | 1 | 0.963 | 0.975 | 83.629 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | H | 201 | PRO | 0 | 0.013 | 0.015 | 80.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | H | 202 | SER | 0 | 0.035 | 0.013 | 82.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | H | 203 | ASN | 0 | -0.068 | -0.026 | 84.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | H | 204 | THR | 0 | 0.020 | 0.014 | 84.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | H | 205 | LYS | 1 | 0.906 | 0.943 | 86.544 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | H | 206 | VAL | 0 | -0.030 | -0.013 | 84.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | H | 207 | ASP | -1 | -0.808 | -0.881 | 86.822 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | H | 208 | LYS | 1 | 0.799 | 0.876 | 82.973 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | H | 209 | LYS | 1 | 0.905 | 0.939 | 86.193 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | H | 210 | VAL | 0 | -0.007 | 0.002 | 81.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | H | 211 | GLU | -1 | -0.868 | -0.903 | 84.845 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | H | 212 | PRO | 0 | 0.032 | 0.001 | 83.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | H | 213 | LYS | 1 | 0.865 | 0.950 | 75.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | L | 3 | ALA | 0 | -0.010 | 0.000 | 43.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | L | 4 | LEU | 0 | -0.061 | -0.035 | 40.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | L | 5 | THR | 0 | -0.022 | -0.019 | 44.032 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | L | 6 | GLN | 0 | 0.021 | -0.016 | 45.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | L | 7 | PRO | 0 | -0.010 | 0.019 | 48.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | L | 8 | PRO | 0 | 0.059 | 0.041 | 50.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | L | 9 | SER | 0 | -0.042 | -0.050 | 54.408 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | L | 11 | ALA | 0 | -0.007 | 0.003 | 52.381 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | L | 12 | SER | 0 | -0.011 | -0.037 | 54.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | L | 13 | GLY | 0 | -0.001 | -0.007 | 56.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | L | 14 | SER | 0 | -0.001 | 0.008 | 57.940 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | L | 15 | PRO | 0 | 0.044 | 0.017 | 59.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | L | 16 | GLY | 0 | -0.010 | 0.009 | 58.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | L | 17 | GLN | 0 | -0.029 | 0.002 | 55.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | L | 18 | SER | 0 | 0.040 | 0.020 | 50.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | L | 19 | VAL | 0 | 0.000 | 0.020 | 51.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | L | 20 | THR | 0 | -0.028 | -0.027 | 45.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | L | 21 | ILE | 0 | 0.001 | 0.016 | 47.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | L | 22 | SER | 0 | 0.006 | -0.004 | 43.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | L | 88 | CYS | 0 | -0.059 | -0.017 | 43.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 24 | THR | 0 | -0.038 | -0.019 | 39.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 25 | GLY | 0 | 0.072 | 0.031 | 39.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 26 | THR | 0 | -0.052 | -0.056 | 36.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 27 | SER | 0 | 0.010 | 0.006 | 30.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 27 | SER | 0 | -0.011 | -0.009 | 31.607 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 27 | ASP | -1 | -0.751 | -0.825 | 33.590 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 27 | LEU | 0 | 0.002 | -0.016 | 35.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 28 | GLY | 0 | -0.008 | 0.003 | 32.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 29 | ALA | 0 | -0.037 | 0.011 | 30.160 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 30 | TYR | 0 | 0.033 | 0.023 | 30.574 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 31 | HIS | 0 | -0.045 | -0.019 | 30.940 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 32 | PHE | 0 | 0.007 | 0.009 | 34.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 33 | VAL | 0 | -0.001 | 0.004 | 37.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | L | 34 | THR | 0 | -0.031 | -0.035 | 40.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | L | 35 | TRP | 0 | -0.036 | -0.023 | 42.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | 36 | TYR | 0 | 0.003 | -0.015 | 46.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 37 | GLN | 0 | 0.005 | -0.010 | 50.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 38 | HIS | 0 | -0.043 | -0.042 | 53.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 39 | TYR | 0 | 0.058 | 0.017 | 56.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 40 | PRO | 0 | -0.010 | 0.006 | 59.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 41 | GLY | 0 | 0.027 | 0.018 | 61.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 42 | LYS | 1 | 0.783 | 0.912 | 56.457 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 43 | ALA | 0 | 0.034 | 0.021 | 57.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 44 | PRO | 0 | 0.018 | 0.005 | 53.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 45 | LYS | 1 | 0.947 | 0.980 | 53.368 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 46 | VAL | 0 | 0.034 | 0.035 | 47.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 47 | MET | 0 | -0.056 | -0.022 | 49.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 48 | ILE | 0 | -0.022 | -0.027 | 43.110 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 49 | TYR | 0 | 0.076 | 0.044 | 41.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 50 | GLY | 0 | 0.037 | 0.035 | 38.663 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 51 | VAL | 0 | -0.021 | -0.005 | 35.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 52 | ARG | 1 | 0.980 | 0.987 | 34.837 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 53 | LYS | 1 | 0.875 | 0.958 | 38.996 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 54 | ARG | 1 | 0.950 | 0.990 | 42.308 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 55 | PRO | 0 | 0.002 | 0.012 | 46.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 56 | SER | 0 | 0.020 | 0.008 | 48.053 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | L | 57 | GLY | 0 | 0.006 | -0.004 | 50.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | L | 58 | VAL | 0 | -0.080 | -0.022 | 50.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | L | 59 | PRO | 0 | 0.031 | 0.010 | 51.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | L | 60 | ASP | -1 | -0.899 | -0.970 | 49.223 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | L | 61 | ARG | 1 | 0.812 | 0.878 | 49.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | L | 62 | PHE | 0 | -0.002 | 0.035 | 48.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | L | 63 | SER | 0 | -0.003 | -0.013 | 44.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | L | 64 | GLY | 0 | 0.025 | 0.019 | 42.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | L | 65 | SER | 0 | -0.088 | -0.055 | 38.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | L | 66 | LYS | 1 | 0.843 | 0.886 | 32.048 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | L | 67 | SER | 0 | -0.072 | -0.027 | 33.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | L | 68 | GLY | 0 | 0.028 | 0.019 | 32.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | L | 69 | ASN | 0 | 0.033 | 0.022 | 32.891 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | L | 70 | THR | 0 | 0.008 | 0.006 | 35.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | L | 71 | ALA | 0 | 0.023 | 0.015 | 38.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | L | 72 | SER | 0 | -0.041 | -0.018 | 40.090 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | L | 73 | LEU | 0 | 0.047 | 0.033 | 42.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | L | 74 | THR | 0 | 0.027 | 0.012 | 45.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | L | 75 | VAL | 0 | 0.009 | 0.039 | 47.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | L | 76 | SER | 0 | -0.015 | -0.028 | 49.465 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | L | 77 | GLY | 0 | 0.016 | -0.001 | 52.143 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | L | 78 | LEU | 0 | -0.050 | -0.017 | 55.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | L | 79 | GLN | 0 | 0.034 | 0.008 | 57.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | L | 80 | ASP | -1 | -0.815 | -0.900 | 59.807 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | L | 81 | GLU | -1 | -0.914 | -0.963 | 60.162 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | L | 82 | ASP | -1 | -0.796 | -0.854 | 56.024 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | L | 83 | GLU | -1 | -0.820 | -0.883 | 57.105 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | L | 84 | ALA | 0 | -0.030 | -0.019 | 56.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | L | 85 | ASP | -1 | -0.852 | -0.918 | 55.421 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | L | 86 | TYR | 0 | -0.063 | -0.063 | 50.685 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | L | 87 | TYR | 0 | -0.051 | 0.004 | 49.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | L | 89 | SER | 0 | 0.019 | 0.007 | 44.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | L | 90 | SER | 0 | -0.004 | -0.015 | 38.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | L | 91 | TYR | 0 | -0.008 | 0.035 | 34.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | L | 92 | ALA | 0 | -0.017 | -0.014 | 37.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | L | 93 | GLY | 0 | 0.000 | 0.000 | 34.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | L | 94 | ASN | 0 | -0.096 | -0.047 | 34.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | L | 95 | ASN | 0 | -0.007 | -0.010 | 37.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | L | 95 | ASP | -1 | -0.781 | -0.895 | 39.521 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | L | 96 | PHE | 0 | -0.019 | -0.016 | 40.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | L | 97 | VAL | 0 | -0.020 | 0.002 | 40.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | L | 98 | PHE | 0 | 0.037 | -0.003 | 43.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | L | 99 | GLY | 0 | 0.023 | 0.019 | 46.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | L | 100 | GLY | 0 | -0.018 | -0.008 | 47.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | L | 101 | GLY | 0 | 0.016 | 0.010 | 50.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | L | 102 | THR | 0 | -0.076 | -0.054 | 51.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | L | 103 | LYS | 1 | 0.896 | 0.947 | 53.222 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | L | 104 | LEU | 0 | -0.042 | -0.023 | 53.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | L | 105 | THR | 0 | -0.055 | -0.039 | 56.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | L | 106 | VAL | 0 | 0.042 | 0.018 | 59.076 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | L | 106 | LEU | 0 | -0.096 | -0.061 | 59.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | L | 107 | GLY | 0 | 0.064 | 0.037 | 62.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | L | 108 | GLN | 0 | -0.079 | -0.043 | 65.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | L | 109 | PRO | 0 | 0.017 | 0.001 | 64.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | L | 110 | LYS | 1 | 0.860 | 0.928 | 57.025 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | L | 111 | ALA | 0 | -0.052 | -0.022 | 63.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | L | 112 | ALA | 0 | 0.063 | 0.038 | 63.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | L | 113 | PRO | 0 | 0.007 | 0.011 | 62.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | L | 114 | SER | 0 | 0.016 | 0.021 | 65.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | L | 115 | VAL | 0 | 0.008 | 0.001 | 63.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | L | 116 | THR | 0 | -0.015 | -0.001 | 67.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | L | 117 | LEU | 0 | -0.029 | -0.012 | 65.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | L | 118 | PHE | 0 | -0.005 | 0.003 | 69.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | L | 119 | PRO | 0 | -0.015 | -0.003 | 70.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | L | 120 | PRO | 0 | 0.048 | 0.045 | 70.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | L | 121 | SER | 0 | -0.012 | 0.000 | 72.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | L | 122 | SER | 0 | -0.006 | -0.030 | 76.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | L | 123 | GLU | -1 | -0.779 | -0.871 | 78.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | L | 124 | GLU | -1 | -0.791 | -0.843 | 72.700 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | L | 125 | LEU | 0 | -0.013 | -0.008 | 72.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | L | 126 | GLN | 0 | -0.025 | -0.007 | 75.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | L | 127 | ALA | 0 | -0.055 | -0.010 | 77.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | L | 128 | ASN | 0 | -0.044 | -0.021 | 73.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | L | 129 | LYS | 1 | 0.904 | 0.942 | 71.038 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | L | 130 | ALA | 0 | 0.031 | 0.010 | 69.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | L | 131 | THR | 0 | 0.012 | -0.012 | 68.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | L | 132 | LEU | 0 | -0.041 | 0.000 | 64.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | L | 133 | VAL | 0 | 0.023 | 0.015 | 67.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | L | 193 | CYS | 0 | -0.074 | -0.019 | 60.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | L | 135 | LEU | 0 | 0.002 | 0.006 | 67.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | L | 136 | ILE | 0 | 0.011 | -0.001 | 63.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | L | 137 | SER | 0 | 0.027 | -0.005 | 67.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | L | 138 | ASP | -1 | -0.815 | -0.897 | 68.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | L | 139 | PHE | 0 | 0.020 | 0.032 | 63.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | L | 140 | TYR | 0 | 0.023 | 0.018 | 64.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | L | 141 | PRO | 0 | 0.054 | 0.017 | 59.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | L | 142 | GLY | 0 | 0.029 | -0.002 | 62.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | L | 143 | ALA | 0 | -0.011 | -0.011 | 58.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | L | 144 | VAL | 0 | -0.016 | -0.002 | 58.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | L | 145 | THR | 0 | -0.007 | 0.001 | 53.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | L | 146 | VAL | 0 | 0.015 | 0.007 | 56.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | L | 147 | ALA | 0 | -0.067 | -0.027 | 55.051 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | L | 148 | TRP | 0 | 0.062 | 0.012 | 56.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | L | 149 | LYS | 1 | 0.838 | 0.911 | 52.799 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | L | 150 | ALA | 0 | 0.052 | 0.024 | 57.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | L | 151 | ASP | -1 | -0.729 | -0.837 | 57.512 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | L | 152 | SER | 0 | -0.039 | -0.015 | 53.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | L | 153 | SER | 0 | -0.024 | -0.003 | 53.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | L | 154 | PRO | 0 | -0.028 | -0.020 | 50.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | L | 155 | VAL | 0 | 0.026 | 0.017 | 53.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | L | 156 | LYS | 1 | 0.932 | 0.948 | 52.077 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | L | 157 | ALA | 0 | -0.005 | 0.008 | 55.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | L | 158 | GLY | 0 | 0.066 | 0.030 | 58.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | L | 159 | VAL | 0 | -0.028 | -0.008 | 58.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | L | 160 | GLU | -1 | -0.777 | -0.863 | 61.259 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | L | 161 | THR | 0 | -0.029 | -0.019 | 61.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | L | 162 | THR | 0 | -0.033 | 0.010 | 63.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | L | 163 | THR | 0 | 0.057 | 0.022 | 62.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | L | 164 | PRO | 0 | -0.027 | -0.008 | 62.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | L | 165 | SER | 0 | 0.029 | 0.031 | 65.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | L | 166 | LYS | 1 | 0.856 | 0.919 | 68.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | L | 167 | GLN | 0 | 0.032 | -0.009 | 70.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | L | 168 | SER | 0 | 0.025 | 0.002 | 73.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | L | 169 | ASN | 0 | 0.016 | 0.014 | 73.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | L | 170 | ASN | 0 | -0.025 | -0.007 | 71.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | L | 171 | LYS | 1 | 0.937 | 1.007 | 68.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | L | 172 | TYR | 0 | -0.024 | -0.001 | 66.225 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | L | 173 | ALA | 0 | -0.015 | -0.009 | 68.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | L | 174 | ALA | 0 | -0.021 | -0.012 | 65.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | L | 175 | SER | 0 | 0.024 | 0.017 | 66.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | L | 176 | SER | 0 | -0.013 | -0.010 | 62.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | L | 177 | TYR | 0 | -0.018 | -0.005 | 64.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | L | 178 | LEU | 0 | 0.011 | 0.020 | 61.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | L | 179 | SER | 0 | -0.025 | -0.016 | 64.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | L | 180 | LEU | 0 | -0.019 | -0.018 | 63.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | L | 181 | THR | 0 | -0.028 | -0.039 | 66.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | L | 182 | PRO | 0 | 0.036 | 0.016 | 67.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | L | 183 | GLU | -1 | -0.808 | -0.895 | 67.214 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | L | 184 | GLN | 0 | 0.004 | 0.009 | 62.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | L | 185 | TRP | 0 | 0.040 | 0.013 | 64.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | L | 186 | LYS | 1 | 0.922 | 0.956 | 67.043 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | L | 187 | SER | 0 | -0.053 | -0.013 | 63.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | L | 188 | HIS | 0 | 0.048 | 0.046 | 58.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | L | 189 | ARG | 1 | 0.811 | 0.889 | 62.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | L | 190 | SER | 0 | -0.008 | -0.018 | 61.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | L | 191 | TYR | 0 | 0.007 | -0.012 | 61.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | L | 192 | SER | 0 | -0.046 | -0.046 | 59.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | L | 194 | GLN | 0 | 0.017 | 0.000 | 55.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | L | 195 | VAL | 0 | 0.029 | 0.006 | 58.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | L | 196 | THR | 0 | -0.004 | -0.008 | 53.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | L | 197 | HIS | 0 | -0.009 | -0.017 | 57.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | L | 198 | GLU | -1 | -0.733 | -0.821 | 55.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | L | 199 | GLY | 0 | 0.000 | 0.007 | 53.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | L | 200 | SER | 0 | -0.023 | 0.002 | 54.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | L | 201 | THR | 0 | -0.020 | -0.025 | 55.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | L | 202 | VAL | 0 | -0.026 | 0.001 | 57.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | L | 203 | GLU | -1 | -0.804 | -0.872 | 58.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | L | 204 | LYS | 1 | 0.819 | 0.912 | 61.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | L | 205 | THR | 0 | 0.091 | 0.017 | 62.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | L | 206 | VAL | 0 | -0.036 | -0.003 | 65.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | L | 207 | ALA | 0 | 0.091 | 0.038 | 66.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | L | 208 | PRO | 0 | -0.016 | 0.001 | 67.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | L | 209 | THR | 0 | -0.061 | -0.023 | 69.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | L | 210 | GLU | -1 | -1.000 | -0.983 | 68.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 701 | HOH | 0 | -0.008 | -0.025 | 22.183 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 702 | HOH | 0 | 0.008 | 0.014 | 12.907 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 703 | HOH | 0 | -0.024 | -0.027 | 24.234 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 704 | HOH | 0 | 0.008 | 0.005 | 32.160 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 705 | HOH | 0 | 0.012 | -0.003 | 24.518 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 706 | HOH | 0 | -0.041 | -0.040 | 30.843 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 707 | HOH | 0 | 0.020 | 0.005 | 20.239 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 708 | HOH | 0 | -0.024 | -0.017 | 19.905 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 709 | HOH | 0 | 0.011 | 0.008 | 42.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 710 | HOH | 0 | -0.041 | -0.036 | 29.686 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 711 | HOH | 0 | 0.025 | 0.007 | 32.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 712 | HOH | 0 | -0.013 | -0.022 | 42.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 713 | HOH | 0 | 0.029 | 0.012 | 15.369 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 714 | HOH | 0 | 0.035 | 0.018 | 43.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 715 | HOH | 0 | 0.005 | -0.003 | 30.265 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 716 | HOH | 0 | -0.021 | -0.023 | 33.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 717 | HOH | 0 | 0.001 | -0.013 | 25.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 718 | HOH | 0 | 0.004 | -0.006 | 16.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 719 | HOH | 0 | -0.023 | -0.028 | 14.645 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 720 | HOH | 0 | -0.003 | 0.001 | 25.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 721 | HOH | 0 | -0.004 | -0.009 | 15.855 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 722 | HOH | 0 | -0.007 | -0.009 | 37.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | H | 401 | HOH | 0 | -0.002 | -0.010 | 60.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | H | 402 | HOH | 0 | -0.030 | -0.033 | 42.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | H | 403 | HOH | 0 | 0.003 | -0.013 | 87.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | H | 404 | HOH | 0 | -0.049 | -0.044 | 61.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | H | 405 | HOH | 0 | -0.011 | -0.020 | 69.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | H | 406 | HOH | 0 | -0.002 | -0.002 | 55.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | H | 407 | HOH | 0 | -0.009 | -0.010 | 82.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | H | 408 | HOH | 0 | -0.021 | -0.027 | 39.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | H | 409 | HOH | 0 | 0.042 | 0.029 | 92.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | H | 410 | HOH | 0 | -0.045 | -0.041 | 69.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | H | 411 | HOH | 0 | -0.008 | -0.008 | 71.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | H | 412 | HOH | 0 | -0.011 | -0.015 | 66.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | H | 413 | HOH | 0 | -0.036 | -0.021 | 40.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | H | 414 | HOH | 0 | 0.027 | 0.005 | 73.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | H | 415 | HOH | 0 | 0.009 | -0.003 | 47.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | H | 416 | HOH | 0 | 0.002 | -0.019 | 66.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | H | 417 | HOH | 0 | -0.007 | -0.009 | 82.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | H | 418 | HOH | 0 | 0.015 | 0.020 | 75.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | H | 419 | HOH | 0 | 0.003 | 0.005 | 85.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | H | 420 | HOH | 0 | 0.013 | 0.010 | 80.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | H | 421 | HOH | 0 | 0.017 | 0.001 | 77.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | L | 301 | HOH | 0 | 0.001 | -0.006 | 43.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | L | 302 | HOH | 0 | -0.021 | -0.026 | 28.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | L | 303 | HOH | 0 | -0.004 | -0.019 | 42.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | L | 304 | HOH | 0 | -0.019 | -0.027 | 70.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | L | 305 | HOH | 0 | -0.018 | -0.021 | 48.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | L | 306 | HOH | 0 | -0.010 | -0.019 | 68.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | L | 307 | HOH | 0 | -0.011 | -0.013 | 74.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | L | 308 | HOH | 0 | -0.002 | -0.006 | 29.450 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | L | 309 | HOH | 0 | -0.014 | -0.022 | 67.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | L | 310 | HOH | 0 | -0.011 | -0.025 | 74.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | L | 311 | HOH | 0 | -0.001 | -0.009 | 45.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | L | 312 | HOH | 0 | -0.034 | -0.038 | 48.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | L | 313 | HOH | 0 | -0.003 | -0.003 | 65.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | L | 314 | HOH | 0 | -0.046 | -0.039 | 63.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | L | 315 | HOH | 0 | -0.057 | -0.046 | 50.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | L | 316 | HOH | 0 | -0.034 | -0.029 | 60.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | L | 317 | HOH | 0 | -0.005 | -0.019 | 68.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | L | 318 | HOH | 0 | 0.002 | -0.001 | 43.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | L | 319 | HOH | 0 | -0.025 | -0.007 | 41.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | L | 320 | HOH | 0 | -0.005 | 0.001 | 69.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | L | 321 | HOH | 0 | -0.005 | -0.016 | 81.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | L | 322 | HOH | 0 | -0.010 | -0.008 | 59.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | L | 323 | HOH | 0 | 0.020 | -0.001 | 67.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | L | 324 | HOH | 0 | -0.027 | -0.034 | 72.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | L | 325 | HOH | 0 | 0.005 | -0.002 | 73.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | L | 326 | HOH | 0 | -0.033 | -0.027 | 53.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | L | 327 | HOH | 0 | -0.001 | 0.002 | 54.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | L | 328 | HOH | 0 | 0.052 | 0.036 | 46.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | L | 329 | HOH | 0 | 0.017 | 0.009 | 79.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | L | 330 | HOH | 0 | -0.020 | -0.024 | 32.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | L | 331 | HOH | 0 | -0.011 | -0.012 | 42.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | L | 332 | HOH | 0 | 0.003 | -0.004 | 75.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | L | 333 | HOH | 0 | 0.012 | 0.002 | 74.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | L | 334 | HOH | 0 | -0.037 | -0.029 | 64.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |