FMODB ID: 7J93K
Calculation Name: 6XC2-XYZ-Xray210
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 6XC2
Chain ID: XYZ
UniProt ID: P0DTC2
Base Structure: X-ray
Registration Date: 2021-04-08
Reference: K. Watanabe, C. Watanabe, T. Honma, Y.S. Tian, Y. Kawashima, N. Kawashita, T. Takagi, K. Fukuzawa, Intermolecular interaction analyses on SARS-CoV-2 receptor binding domain and human angiotensin-converting enzyme 2 receptor-blocking antibody/peptide using fragment molecular orbital calculation, J. Phys. Chem. Lett. 2021, 12, 16, 4059-4066
DOI: 10.1021/acs.jpclett.1c00663
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Manual |
Number of fragment | 621 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12911829.801732 |
---|---|
FMO2-HF: Nuclear repulsion | 12671196.424378 |
FMO2-HF: Total energy | -240633.377354 |
FMO2-MP2: Total energy | -241335.430947 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-190,621 : frag 191-620)
"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. |
-564.0591 | -514.8203 | 325.2131 | -141.1542 | -233.2977 | -0.0847 |
Interactive mode: IFIE and PIEDA for fragment #1(Z:334:ASN )
Summations of interaction energy for
fragment #1(Z:334:ASN )
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. |
-9.833 | -3.511 | 1.097 | -3.021 | -4.397 | 0.02 |
Interaction energy analysis for fragmet #1(Z:334:ASN )
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 | Z | 361 | CYS | 0 | -0.067 | -0.001 | 2.741 | -4.349 | -0.314 | 0.683 | -2.114 | -2.605 | 0.010 |
4 | Z | 337 | PRO | 0 | 0.019 | 0.023 | 6.311 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | Z | 338 | PHE | 0 | 0.052 | 0.005 | 8.404 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | Z | 339 | GLY | 0 | 0.026 | 0.017 | 10.858 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | Z | 340 | GLU | -1 | -0.885 | -0.943 | 10.388 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | Z | 341 | VAL | 0 | -0.029 | -0.013 | 13.187 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | Z | 342 | PHE | 0 | 0.011 | -0.017 | 15.134 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | Z | 343 | ASN | 0 | -0.298 | -0.240 | 16.227 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | Z | 344 | ALA | 0 | 0.007 | 0.025 | 17.490 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | Z | 345 | THR | 0 | 0.033 | 0.000 | 18.579 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | Z | 346 | ARG | 1 | 0.945 | 0.973 | 21.836 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | Z | 347 | PHE | 0 | 0.053 | 0.033 | 20.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | Z | 348 | ALA | 0 | -0.014 | 0.001 | 23.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | Z | 349 | SER | 0 | -0.002 | -0.002 | 25.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | Z | 350 | VAL | 0 | 0.010 | 0.015 | 27.887 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | Z | 351 | TYR | 0 | 0.020 | 0.011 | 28.853 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | Z | 352 | ALA | 0 | -0.064 | -0.023 | 27.661 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | Z | 353 | TRP | 0 | -0.068 | -0.011 | 21.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | Z | 354 | ASN | 0 | 0.008 | -0.002 | 19.184 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | Z | 355 | ARG | 1 | 0.831 | 0.912 | 18.066 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | Z | 356 | LYS | 1 | 0.871 | 0.934 | 11.088 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | Z | 357 | ARG | 1 | 0.916 | 0.955 | 12.126 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | Z | 358 | ILE | 0 | -0.032 | -0.008 | 8.674 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | Z | 359 | SER | 0 | 0.001 | -0.024 | 8.193 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | Z | 360 | ASN | 0 | -0.010 | -0.016 | 5.663 | -0.848 | -0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | Z | 362 | VAL | 0 | 0.048 | 0.029 | 2.900 | -3.547 | -1.224 | 0.415 | -0.895 | -1.841 | 0.010 |
29 | Z | 363 | ALA | 0 | 0.008 | -0.005 | 4.763 | -2.363 | -2.399 | -0.001 | -0.012 | 0.049 | 0.000 |
30 | Z | 364 | ASP | -1 | -0.778 | -0.900 | 8.311 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | Z | 365 | TYR | 0 | 0.024 | -0.006 | 10.899 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | Z | 366 | SER | 0 | -0.016 | -0.002 | 14.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | Z | 367 | VAL | 0 | -0.028 | -0.023 | 12.018 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | Z | 368 | LEU | 0 | -0.049 | -0.011 | 14.080 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | Z | 369 | TYR | 0 | -0.007 | -0.026 | 17.358 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | Z | 370 | ASN | 0 | -0.043 | -0.003 | 19.109 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | Z | 371 | SER | 0 | 0.001 | -0.001 | 18.796 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | Z | 372 | ALA | 0 | -0.020 | -0.004 | 20.771 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | Z | 373 | SER | 0 | 0.002 | -0.007 | 22.689 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | Z | 374 | PHE | 0 | -0.015 | 0.007 | 19.538 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | Z | 375 | SER | 0 | -0.001 | -0.009 | 25.650 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | Z | 376 | THR | 0 | -0.092 | -0.054 | 27.150 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | Z | 377 | PHE | 0 | 0.062 | 0.032 | 19.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | Z | 378 | LYS | 1 | 0.924 | 0.978 | 25.197 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | Z | 432 | CYS | 0 | -0.117 | -0.028 | 19.773 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | Z | 380 | TYR | 0 | 0.031 | 0.007 | 23.914 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | Z | 381 | GLY | 0 | 0.071 | 0.027 | 23.710 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | Z | 382 | VAL | 0 | 0.003 | 0.011 | 18.793 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | Z | 383 | SER | 0 | -0.010 | -0.012 | 21.596 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | Z | 384 | PRO | 0 | 0.055 | 0.013 | 19.460 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | Z | 385 | THR | 0 | -0.014 | -0.010 | 18.362 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | Z | 386 | LYS | 1 | 0.966 | 0.983 | 18.390 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | Z | 387 | LEU | 0 | 0.023 | 0.024 | 14.577 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | Z | 388 | ASN | 0 | -0.031 | -0.033 | 12.942 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | Z | 389 | ASP | -1 | -0.897 | -0.937 | 12.515 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | Z | 390 | LEU | 0 | -0.006 | 0.015 | 13.173 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | Z | 525 | CYS | 0 | -0.057 | -0.027 | 6.881 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | Z | 392 | PHE | 0 | 0.057 | 0.017 | 11.303 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | Z | 393 | THR | 0 | 0.061 | 0.039 | 11.258 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | Z | 394 | ASN | 0 | -0.056 | -0.025 | 12.164 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | Z | 395 | VAL | 0 | 0.029 | 0.035 | 12.064 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | Z | 396 | TYR | 0 | -0.076 | -0.048 | 13.395 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | Z | 397 | ALA | 0 | 0.029 | 0.012 | 14.709 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | Z | 398 | ASP | -1 | -0.733 | -0.812 | 16.590 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | Z | 399 | SER | 0 | -0.002 | 0.003 | 19.285 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | Z | 400 | PHE | 0 | -0.033 | -0.035 | 21.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | Z | 401 | VAL | 0 | 0.012 | 0.018 | 24.838 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | Z | 402 | ILE | 0 | -0.011 | 0.000 | 27.797 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | Z | 403 | ARG | 1 | 0.833 | 0.905 | 31.011 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | Z | 404 | GLY | 0 | 0.044 | 0.027 | 33.222 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | Z | 405 | ASP | -1 | -0.874 | -0.953 | 34.231 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | Z | 406 | GLU | -1 | -0.855 | -0.914 | 33.825 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | Z | 407 | VAL | 0 | 0.030 | 0.022 | 28.989 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | Z | 408 | ARG | 1 | 0.849 | 0.933 | 30.778 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | Z | 409 | GLN | 0 | 0.039 | 0.012 | 33.138 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | Z | 410 | ILE | 0 | -0.020 | 0.010 | 26.371 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | Z | 411 | ALA | 0 | -0.002 | -0.022 | 28.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | Z | 412 | PRO | 0 | 0.020 | 0.034 | 28.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | Z | 413 | GLY | 0 | 0.002 | -0.006 | 30.764 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | Z | 414 | GLN | 0 | -0.145 | -0.057 | 33.400 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | Z | 415 | THR | 0 | 0.032 | 0.013 | 35.058 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | Z | 416 | GLY | 0 | -0.020 | -0.027 | 37.100 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | Z | 417 | LYS | 1 | 0.817 | 0.904 | 37.030 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | Z | 418 | ILE | 0 | -0.012 | 0.004 | 31.219 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | Z | 419 | ALA | 0 | 0.028 | 0.030 | 32.258 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | Z | 420 | ASP | -1 | -0.767 | -0.863 | 33.340 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | Z | 421 | TYR | 0 | -0.005 | -0.008 | 35.225 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | Z | 422 | ASN | 0 | -0.041 | -0.023 | 31.238 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | Z | 423 | TYR | 0 | 0.034 | -0.043 | 22.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | Z | 424 | LYS | 1 | 0.860 | 0.966 | 29.174 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | Z | 425 | LEU | 0 | -0.012 | 0.005 | 24.644 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | Z | 426 | PRO | 0 | -0.002 | -0.004 | 26.006 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | Z | 427 | ASP | -1 | -0.799 | -0.925 | 29.033 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | Z | 428 | ASP | -1 | -0.907 | -0.949 | 28.028 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | Z | 429 | PHE | 0 | -0.079 | -0.033 | 22.282 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | Z | 430 | THR | 0 | 0.033 | 0.021 | 21.065 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | Z | 431 | GLY | 0 | 0.013 | -0.009 | 20.077 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | Z | 433 | VAL | 0 | 0.007 | 0.006 | 21.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | Z | 434 | ILE | 0 | -0.032 | -0.002 | 19.206 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | Z | 435 | ALA | 0 | 0.016 | -0.001 | 23.153 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | Z | 436 | TRP | 0 | 0.000 | -0.005 | 20.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | Z | 437 | ASN | 0 | -0.017 | -0.002 | 26.758 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | Z | 438 | SER | 0 | 0.010 | -0.024 | 27.015 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | Z | 439 | ASN | 0 | 0.031 | 0.015 | 28.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | Z | 440 | ASN | 0 | -0.010 | -0.015 | 28.706 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | Z | 441 | LEU | 0 | -0.049 | -0.018 | 24.649 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | Z | 442 | ASP | -1 | -0.747 | -0.804 | 27.787 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | Z | 443 | SER | 0 | -0.005 | -0.008 | 30.544 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | Z | 444 | LYS | 1 | 0.896 | 0.952 | 33.320 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | Z | 445 | VAL | 0 | 0.059 | 0.006 | 36.203 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | Z | 446 | GLY | 0 | -0.041 | -0.003 | 37.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | Z | 447 | GLY | 0 | 0.088 | 0.050 | 37.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | Z | 448 | ASN | 0 | -0.063 | -0.051 | 37.066 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | Z | 449 | TYR | 0 | -0.026 | 0.002 | 29.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | Z | 450 | ASN | 0 | 0.021 | 0.031 | 34.086 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | Z | 451 | TYR | 0 | -0.022 | -0.025 | 26.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | Z | 452 | LEU | 0 | -0.003 | -0.012 | 32.035 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | Z | 453 | TYR | 0 | -0.002 | -0.010 | 32.312 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | Z | 454 | ARG | 1 | 0.791 | 0.871 | 33.815 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | Z | 455 | LEU | 0 | -0.016 | 0.018 | 36.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | Z | 456 | PHE | 0 | 0.010 | 0.007 | 39.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | Z | 457 | ARG | 1 | 0.794 | 0.865 | 34.143 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | Z | 458 | LYS | 1 | 0.910 | 0.952 | 40.063 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | Z | 459 | SER | 0 | -0.012 | 0.003 | 39.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | Z | 460 | ASN | 0 | 0.042 | 0.007 | 36.520 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | Z | 461 | LEU | 0 | -0.101 | -0.023 | 30.727 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | Z | 462 | LYS | 1 | 0.871 | 0.913 | 31.457 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | Z | 463 | PRO | 0 | 0.029 | -0.007 | 28.256 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | Z | 464 | PHE | 0 | -0.013 | -0.006 | 22.982 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | Z | 465 | GLU | -1 | -0.755 | -0.836 | 25.946 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | Z | 466 | ARG | 1 | 0.896 | 0.936 | 23.210 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | Z | 467 | ASP | -1 | -0.762 | -0.835 | 28.369 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | Z | 468 | ILE | 0 | 0.037 | 0.010 | 28.553 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | Z | 469 | SER | 0 | -0.033 | -0.026 | 31.823 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | Z | 470 | THR | 0 | 0.008 | -0.007 | 35.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | Z | 471 | GLU | -1 | -0.890 | -0.949 | 37.937 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | Z | 472 | ILE | 0 | -0.052 | -0.008 | 40.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | Z | 473 | TYR | 0 | -0.065 | -0.051 | 42.014 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | Z | 474 | GLN | 0 | 0.027 | 0.009 | 44.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | Z | 475 | ALA | 0 | 0.014 | 0.007 | 47.513 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | Z | 476 | GLY | 0 | 0.020 | 0.006 | 49.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | Z | 477 | SER | 0 | 0.005 | -0.006 | 51.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | Z | 478 | THR | 0 | 0.007 | 0.008 | 53.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | Z | 479 | PRO | 0 | -0.019 | -0.021 | 50.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | Z | 488 | CYS | 0 | 0.014 | 0.027 | 47.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | Z | 481 | ASN | 0 | -0.041 | -0.018 | 48.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | Z | 482 | GLY | 0 | 0.060 | 0.039 | 45.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | Z | 483 | VAL | 0 | -0.028 | -0.012 | 46.408 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | Z | 484 | GLU | -1 | -0.815 | -0.916 | 45.780 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | Z | 485 | GLY | 0 | -0.007 | -0.011 | 48.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | Z | 486 | PHE | 0 | -0.010 | -0.005 | 51.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | Z | 487 | ASN | 0 | -0.038 | -0.034 | 51.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | Z | 489 | TYR | 0 | 0.078 | 0.050 | 45.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | Z | 490 | PHE | 0 | 0.051 | 0.006 | 38.220 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | Z | 491 | PRO | 0 | -0.054 | -0.011 | 38.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | Z | 492 | LEU | 0 | -0.038 | -0.016 | 34.486 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | Z | 493 | GLN | 0 | 0.048 | 0.015 | 37.739 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | Z | 494 | SER | 0 | -0.004 | -0.029 | 36.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | Z | 495 | TYR | 0 | -0.021 | -0.038 | 32.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | Z | 496 | GLY | 0 | 0.023 | 0.021 | 36.738 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | Z | 497 | PHE | 0 | -0.041 | -0.018 | 32.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | Z | 498 | GLN | 0 | 0.015 | -0.004 | 36.737 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | Z | 499 | PRO | 0 | 0.011 | 0.004 | 37.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | Z | 500 | THR | 0 | -0.049 | -0.027 | 38.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | Z | 501 | ASN | 0 | -0.040 | -0.030 | 38.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | Z | 502 | GLY | 0 | 0.074 | 0.037 | 39.787 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | Z | 503 | VAL | 0 | 0.016 | 0.000 | 35.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | Z | 504 | GLY | 0 | 0.032 | 0.017 | 36.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | Z | 505 | TYR | 0 | -0.037 | -0.042 | 37.345 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | Z | 506 | GLN | 0 | -0.027 | -0.001 | 34.426 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | Z | 507 | PRO | 0 | 0.007 | 0.011 | 30.529 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | Z | 508 | TYR | 0 | -0.002 | -0.012 | 29.005 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | Z | 509 | ARG | 1 | 0.759 | 0.871 | 22.661 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | Z | 510 | VAL | 0 | -0.002 | -0.016 | 24.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | Z | 511 | VAL | 0 | 0.010 | -0.008 | 17.575 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | Z | 512 | VAL | 0 | -0.017 | -0.010 | 20.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | Z | 513 | LEU | 0 | -0.001 | 0.020 | 15.274 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | Z | 514 | SER | 0 | 0.005 | -0.004 | 17.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | Z | 515 | PHE | 0 | 0.017 | -0.001 | 14.093 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | Z | 516 | GLU | -1 | -0.829 | -0.919 | 15.914 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | Z | 517 | LEU | 0 | -0.004 | -0.007 | 16.252 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | Z | 518 | LEU | 0 | -0.023 | -0.004 | 17.281 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | Z | 519 | HIS | 0 | 0.021 | 0.008 | 18.167 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | Z | 520 | ALA | 0 | -0.022 | -0.010 | 16.205 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | Z | 521 | PRO | 0 | 0.018 | -0.003 | 12.466 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | Z | 522 | ALA | 0 | 0.015 | 0.008 | 10.917 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | Z | 523 | THR | 0 | -0.092 | -0.057 | 7.792 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | Z | 524 | VAL | 0 | 0.008 | 0.008 | 6.684 | 0.900 | 0.900 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | Z | 526 | GLY | 0 | 0.041 | 0.031 | 7.713 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | Z | 527 | PRO | 0 | -0.081 | -0.032 | 8.258 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | Y | 1 | ASP | -1 | -0.930 | -0.973 | 45.219 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | Y | 2 | ILE | 0 | -0.063 | -0.030 | 45.049 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | Y | 3 | VAL | 0 | 0.010 | 0.016 | 47.507 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | Y | 4 | MET | 0 | 0.008 | 0.019 | 50.305 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | Y | 5 | THR | 0 | 0.000 | -0.010 | 52.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | Y | 6 | GLN | 0 | 0.004 | -0.020 | 56.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | Y | 7 | SER | 0 | -0.030 | 0.010 | 58.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | Y | 8 | PRO | 0 | 0.056 | 0.016 | 61.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | Y | 9 | SER | 0 | 0.042 | 0.023 | 63.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | Y | 10 | PHE | 0 | 0.009 | -0.001 | 65.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | Y | 11 | LEU | 0 | 0.019 | 0.006 | 65.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | Y | 12 | SER | 0 | -0.006 | 0.007 | 68.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | Y | 13 | ALA | 0 | 0.023 | -0.004 | 70.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | Y | 14 | SER | 0 | 0.011 | 0.000 | 72.572 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | Y | 15 | VAL | 0 | -0.020 | -0.020 | 73.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | Y | 16 | GLY | 0 | 0.007 | 0.013 | 73.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | Y | 17 | ASP | -1 | -0.830 | -0.902 | 70.891 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | Y | 18 | ARG | 1 | 0.959 | 0.986 | 61.584 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | Y | 19 | VAL | 0 | -0.025 | -0.010 | 65.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | Y | 20 | THR | 0 | -0.012 | -0.025 | 60.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | Y | 21 | ILE | 0 | -0.025 | 0.001 | 59.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | Y | 22 | THR | 0 | 0.007 | 0.009 | 56.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | Y | 88 | CYS | 0 | -0.061 | -0.023 | 53.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | Y | 24 | ARG | 1 | 0.829 | 0.892 | 52.782 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | Y | 25 | ALA | 0 | 0.062 | 0.032 | 48.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | Y | 26 | SER | 0 | 0.003 | 0.010 | 48.781 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | Y | 27 | GLN | 0 | 0.006 | -0.001 | 42.500 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | Y | 28 | GLY | 0 | 0.044 | 0.030 | 43.693 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | Y | 29 | ILE | 0 | 0.017 | 0.014 | 42.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | Y | 30 | SER | 0 | -0.012 | -0.011 | 40.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | Y | 31 | SER | 0 | 0.047 | 0.015 | 43.484 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | Y | 32 | TYR | 0 | -0.027 | 0.005 | 39.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | Y | 33 | LEU | 0 | -0.008 | -0.007 | 45.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | Y | 34 | ALA | 0 | 0.002 | 0.007 | 49.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | Y | 35 | TRP | 0 | 0.006 | -0.003 | 52.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | Y | 36 | TYR | 0 | 0.035 | 0.025 | 52.561 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | Y | 37 | GLN | 0 | 0.001 | 0.006 | 58.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | Y | 38 | GLN | 0 | 0.012 | -0.001 | 62.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | Y | 39 | LYS | 1 | 0.831 | 0.906 | 64.548 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | Y | 40 | PRO | 0 | 0.060 | 0.011 | 68.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | Y | 41 | GLY | 0 | 0.002 | 0.013 | 69.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | Y | 42 | LYS | 1 | 0.855 | 0.937 | 65.289 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | Y | 43 | ALA | 0 | 0.071 | 0.037 | 62.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | Y | 44 | PRO | 0 | -0.067 | -0.030 | 59.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | Y | 45 | LYS | 1 | 0.897 | 0.959 | 60.258 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | Y | 46 | LEU | 0 | 0.004 | 0.015 | 53.129 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | Y | 47 | LEU | 0 | -0.073 | -0.045 | 57.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | Y | 48 | ILE | 0 | -0.020 | -0.009 | 52.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | Y | 49 | TYR | 0 | 0.050 | 0.027 | 48.569 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | Y | 50 | ALA | 0 | 0.059 | 0.026 | 46.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | Y | 51 | ALA | 0 | -0.028 | -0.022 | 47.849 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | Y | 52 | SER | 0 | -0.072 | -0.028 | 49.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | Y | 53 | THR | 0 | -0.009 | 0.012 | 49.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | Y | 54 | LEU | 0 | -0.035 | -0.011 | 51.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | Y | 55 | GLN | 0 | 0.051 | 0.023 | 54.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | Y | 56 | SER | 0 | -0.004 | -0.005 | 55.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | Y | 57 | GLY | 0 | 0.025 | 0.010 | 57.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | Y | 58 | VAL | 0 | -0.045 | -0.015 | 58.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | Y | 59 | PRO | 0 | 0.018 | 0.008 | 61.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | Y | 60 | SER | 0 | 0.055 | 0.017 | 61.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | Y | 61 | ARG | 1 | 0.766 | 0.857 | 62.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | Y | 62 | PHE | 0 | -0.024 | -0.008 | 60.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | Y | 63 | SER | 0 | 0.014 | 0.001 | 57.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | Y | 64 | GLY | 0 | 0.016 | 0.019 | 54.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | Y | 65 | SER | 0 | -0.024 | -0.014 | 52.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | Y | 66 | GLY | 0 | 0.054 | 0.031 | 51.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | Y | 67 | SER | 0 | 0.012 | -0.009 | 45.201 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | Y | 68 | GLY | 0 | 0.061 | 0.048 | 45.492 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | Y | 69 | THR | 0 | -0.030 | -0.024 | 46.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | Y | 70 | GLU | -1 | -0.845 | -0.898 | 48.686 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | Y | 71 | PHE | 0 | 0.009 | 0.000 | 47.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | Y | 72 | THR | 0 | -0.012 | -0.018 | 53.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | Y | 73 | LEU | 0 | 0.000 | 0.023 | 55.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | Y | 74 | THR | 0 | -0.011 | -0.013 | 58.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | Y | 75 | ILE | 0 | -0.007 | 0.010 | 61.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | Y | 76 | SER | 0 | -0.025 | -0.030 | 64.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | Y | 77 | SER | 0 | -0.004 | -0.008 | 65.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | Y | 78 | LEU | 0 | -0.030 | 0.010 | 68.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | Y | 79 | GLN | 0 | 0.034 | -0.005 | 69.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | Y | 80 | PRO | 0 | 0.041 | 0.004 | 71.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | Y | 81 | GLU | -1 | -0.861 | -0.919 | 69.667 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | Y | 82 | ASP | -1 | -0.777 | -0.853 | 67.447 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | Y | 83 | PHE | 0 | 0.025 | 0.044 | 68.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | Y | 84 | ALA | 0 | -0.026 | -0.011 | 66.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | Y | 85 | THR | 0 | 0.006 | 0.004 | 63.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | Y | 86 | TYR | 0 | -0.003 | -0.019 | 61.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | Y | 87 | TYR | 0 | 0.013 | 0.020 | 57.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | Y | 89 | GLN | 0 | 0.030 | 0.006 | 49.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | Y | 90 | GLN | 0 | 0.048 | 0.017 | 45.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | Y | 91 | LEU | 0 | -0.029 | -0.018 | 45.857 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | Y | 92 | ASN | 0 | -0.009 | -0.030 | 40.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | Y | 93 | SER | 0 | -0.021 | -0.013 | 42.007 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | Y | 94 | TYR | 0 | 0.022 | 0.002 | 40.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | Y | 95 | PRO | 0 | -0.022 | -0.005 | 42.114 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | Y | 96 | PRO | 0 | 0.021 | 0.012 | 44.946 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | Y | 97 | LYS | 1 | 0.896 | 0.966 | 42.302 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | Y | 98 | PHE | 0 | -0.005 | -0.006 | 46.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | Y | 99 | THR | 0 | -0.007 | 0.004 | 48.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | Y | 100 | PHE | 0 | 0.011 | -0.004 | 51.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | Y | 101 | GLY | 0 | 0.019 | 0.015 | 54.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | Y | 102 | PRO | 0 | -0.068 | -0.054 | 56.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | Y | 103 | GLY | 0 | 0.009 | 0.017 | 59.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | Y | 104 | THR | 0 | -0.050 | -0.043 | 61.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | Y | 105 | LYS | 1 | 0.793 | 0.893 | 63.742 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | Y | 106 | VAL | 0 | -0.009 | 0.000 | 66.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | Y | 107 | GLU | -1 | -0.820 | -0.893 | 68.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | Y | 108 | ILE | 0 | 0.021 | 0.006 | 72.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | Y | 109 | LYS | 1 | 0.907 | 0.970 | 74.476 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | Y | 110 | ARG | 1 | 0.853 | 0.917 | 76.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | Y | 111 | THR | 0 | 0.007 | -0.001 | 80.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | Y | 112 | VAL | 0 | 0.000 | 0.016 | 80.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | Y | 113 | ALA | 0 | -0.008 | -0.003 | 82.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | Y | 114 | ALA | 0 | 0.040 | 0.020 | 84.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | Y | 115 | PRO | 0 | -0.025 | -0.003 | 84.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | Y | 116 | SER | 0 | 0.026 | 0.014 | 86.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | Y | 117 | VAL | 0 | -0.022 | -0.007 | 86.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | Y | 118 | PHE | 0 | 0.038 | 0.008 | 89.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | Y | 119 | ILE | 0 | -0.011 | -0.020 | 89.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | Y | 120 | PHE | 0 | -0.012 | -0.002 | 89.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | Y | 121 | PRO | 0 | 0.007 | 0.001 | 90.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | Y | 122 | PRO | 0 | 0.004 | 0.014 | 90.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | Y | 123 | SER | 0 | 0.034 | 0.021 | 92.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | Y | 124 | ASP | -1 | -0.766 | -0.901 | 94.619 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | Y | 125 | GLU | -1 | -0.907 | -0.957 | 95.244 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | Y | 126 | GLN | 0 | 0.023 | 0.011 | 87.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | Y | 127 | LEU | 0 | 0.021 | 0.018 | 92.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | Y | 128 | LYS | 1 | 0.917 | 0.966 | 94.155 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | Y | 129 | SER | 0 | -0.065 | -0.031 | 90.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | Y | 130 | GLY | 0 | 0.044 | 0.019 | 90.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | Y | 131 | THR | 0 | -0.043 | -0.018 | 85.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | Y | 132 | ALA | 0 | -0.012 | -0.008 | 88.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | Y | 133 | SER | 0 | -0.009 | -0.018 | 85.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | Y | 134 | VAL | 0 | -0.038 | -0.001 | 87.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | Y | 135 | VAL | 0 | 0.013 | 0.013 | 85.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | Y | 196 | CYS | 0 | -0.053 | -0.004 | 84.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | Y | 137 | LEU | 0 | -0.026 | 0.000 | 84.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | Y | 138 | LEU | 0 | 0.026 | 0.022 | 81.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | Y | 139 | ASN | 0 | 0.053 | 0.022 | 84.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | Y | 140 | ASN | 0 | -0.003 | -0.026 | 84.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | Y | 141 | PHE | 0 | -0.005 | 0.014 | 78.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | Y | 142 | TYR | 0 | 0.015 | -0.004 | 75.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | Y | 143 | PRO | 0 | 0.016 | 0.014 | 75.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | Y | 144 | ARG | 1 | 0.886 | 0.908 | 72.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | Y | 145 | GLU | -1 | -0.907 | -0.966 | 73.044 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | Y | 146 | ALA | 0 | -0.029 | -0.001 | 75.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | Y | 147 | LYS | 1 | 0.897 | 0.953 | 76.889 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | Y | 148 | VAL | 0 | 0.025 | 0.008 | 78.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | Y | 149 | GLN | 0 | -0.028 | -0.028 | 79.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | Y | 150 | TRP | 0 | 0.017 | -0.002 | 81.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | Y | 151 | LYS | 1 | 0.839 | 0.919 | 83.481 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | Y | 152 | VAL | 0 | -0.007 | -0.007 | 86.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | Y | 153 | ASP | -1 | -0.765 | -0.870 | 88.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | Y | 154 | ASN | 0 | -0.027 | -0.024 | 88.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | Y | 155 | ALA | 0 | 0.037 | 0.036 | 84.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | Y | 156 | LEU | 0 | -0.004 | -0.008 | 80.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | Y | 157 | GLN | 0 | -0.048 | -0.021 | 81.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | Y | 158 | SER | 0 | 0.010 | -0.006 | 75.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | Y | 159 | GLY | 0 | 0.009 | 0.014 | 75.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | Y | 160 | ASN | 0 | 0.015 | 0.001 | 76.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | Y | 161 | SER | 0 | 0.012 | 0.004 | 78.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | Y | 162 | GLN | 0 | -0.059 | -0.034 | 74.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | Y | 163 | GLU | -1 | -0.824 | -0.893 | 76.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | Y | 164 | SER | 0 | -0.031 | -0.033 | 76.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | Y | 165 | VAL | 0 | -0.016 | -0.013 | 75.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | Y | 166 | THR | 0 | -0.020 | -0.018 | 76.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | Y | 167 | GLU | -1 | -0.818 | -0.906 | 72.961 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | Y | 168 | GLN | 0 | -0.021 | -0.007 | 75.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | Y | 169 | ASP | -1 | -0.831 | -0.899 | 77.978 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | Y | 170 | SER | 0 | -0.024 | -0.023 | 80.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | Y | 171 | LYS | 1 | 0.905 | 0.956 | 81.863 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | Y | 172 | ASP | -1 | -0.747 | -0.839 | 84.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | Y | 173 | SER | 0 | -0.007 | 0.006 | 79.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | Y | 174 | THR | 0 | -0.101 | -0.057 | 80.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | Y | 175 | TYR | 0 | -0.009 | -0.011 | 74.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | Y | 176 | SER | 0 | 0.019 | -0.003 | 80.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | Y | 177 | LEU | 0 | -0.033 | -0.002 | 77.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | Y | 178 | SER | 0 | -0.013 | 0.004 | 81.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | Y | 179 | SER | 0 | 0.008 | -0.019 | 80.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | Y | 180 | THR | 0 | 0.012 | -0.009 | 81.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | Y | 181 | LEU | 0 | -0.004 | 0.007 | 81.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | Y | 182 | THR | 0 | -0.005 | 0.002 | 82.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | Y | 183 | LEU | 0 | -0.025 | -0.002 | 82.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | Y | 184 | SER | 0 | 0.038 | -0.004 | 85.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | Y | 185 | LYS | 1 | 0.842 | 0.900 | 87.541 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | Y | 186 | ALA | 0 | 0.061 | 0.027 | 89.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | Y | 187 | ASP | -1 | -0.838 | -0.894 | 86.521 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | Y | 188 | TYR | 0 | -0.008 | -0.011 | 89.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | Y | 189 | GLU | -1 | -0.804 | -0.908 | 90.988 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | Y | 190 | LYS | 1 | 0.831 | 0.918 | 87.615 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | Y | 191 | HIS | 1 | 0.859 | 0.938 | 87.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | Y | 192 | LYS | 1 | 0.877 | 0.954 | 92.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | Y | 193 | VAL | 0 | 0.005 | 0.007 | 92.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | Y | 194 | TYR | 0 | 0.006 | -0.006 | 88.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | Y | 195 | ALA | 0 | 0.008 | -0.017 | 89.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | Y | 197 | GLU | -1 | -0.813 | -0.886 | 83.966 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | Y | 198 | VAL | 0 | 0.032 | 0.005 | 83.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | Y | 199 | THR | 0 | -0.006 | -0.004 | 80.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | Y | 200 | HIS | 0 | 0.024 | -0.006 | 79.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | Y | 201 | GLN | 0 | 0.054 | 0.028 | 78.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | Y | 202 | GLY | 0 | 0.004 | -0.008 | 81.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | Y | 203 | LEU | 0 | -0.075 | -0.030 | 84.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | Y | 204 | SER | 0 | 0.006 | 0.005 | 85.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | Y | 205 | SER | 0 | 0.036 | 0.010 | 86.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | Y | 206 | PRO | 0 | -0.028 | -0.014 | 83.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | Y | 207 | VAL | 0 | 0.013 | 0.020 | 86.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | Y | 208 | THR | 0 | -0.004 | -0.004 | 87.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | Y | 209 | LYS | 1 | 0.814 | 0.913 | 89.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | Y | 210 | SER | 0 | 0.019 | -0.002 | 90.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | Y | 211 | PHE | 0 | -0.037 | -0.017 | 91.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | Y | 212 | ASN | 0 | -0.018 | -0.018 | 94.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | Y | 213 | ARG | 1 | 0.866 | 0.926 | 94.559 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | Y | 214 | GLY | 0 | 0.009 | 0.001 | 96.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | Y | 215 | GLU | -1 | -0.834 | -0.901 | 99.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | X | 1 | GLU | -1 | -0.902 | -0.961 | 63.197 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | X | 2 | VAL | 0 | -0.048 | -0.030 | 58.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | X | 3 | GLN | 0 | -0.011 | -0.007 | 60.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | X | 4 | LEU | 0 | 0.000 | -0.003 | 56.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | X | 5 | VAL | 0 | 0.038 | 0.022 | 60.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | X | 6 | GLU | -1 | -0.814 | -0.898 | 61.367 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | X | 7 | SER | 0 | -0.021 | -0.008 | 63.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | X | 8 | GLY | 0 | 0.040 | 0.011 | 64.103 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | X | 9 | GLY | 0 | 0.014 | 0.016 | 65.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | X | 10 | GLY | 0 | 0.003 | -0.008 | 66.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | X | 11 | LEU | 0 | -0.045 | -0.016 | 69.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | X | 12 | ILE | 0 | -0.004 | 0.002 | 66.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | X | 13 | GLN | 0 | 0.023 | 0.011 | 69.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | X | 14 | PRO | 0 | 0.005 | -0.010 | 66.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | X | 15 | GLY | 0 | -0.025 | -0.009 | 63.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | X | 16 | GLY | 0 | 0.007 | 0.008 | 64.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | X | 17 | SER | 0 | -0.043 | -0.026 | 61.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | X | 18 | LEU | 0 | -0.002 | 0.005 | 62.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | X | 19 | ARG | 1 | 0.893 | 0.956 | 59.651 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | X | 20 | LEU | 0 | -0.003 | 0.016 | 59.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | X | 21 | SER | 0 | 0.021 | -0.011 | 59.806 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | X | 92 | CYS | 0 | -0.052 | -0.013 | 57.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | X | 23 | ALA | 0 | 0.031 | 0.036 | 58.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | X | 24 | ALA | 0 | 0.016 | 0.005 | 56.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | X | 25 | SER | 0 | -0.039 | -0.016 | 58.962 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | X | 26 | GLY | 0 | 0.047 | 0.033 | 58.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | X | 27 | LEU | 0 | -0.034 | -0.016 | 53.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | X | 28 | THR | 0 | 0.049 | 0.037 | 51.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | X | 29 | VAL | 0 | 0.014 | 0.009 | 51.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | X | 30 | SER | 0 | -0.025 | -0.020 | 48.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | X | 31 | SER | 0 | -0.041 | -0.006 | 46.589 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | X | 32 | ASN | 0 | 0.019 | 0.004 | 47.045 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | X | 33 | TYR | 0 | -0.013 | 0.000 | 41.103 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | X | 34 | MET | 0 | -0.020 | 0.008 | 47.415 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | X | 35 | SER | 0 | -0.039 | -0.035 | 50.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | X | 36 | TRP | 0 | 0.029 | 0.008 | 51.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | X | 37 | VAL | 0 | -0.002 | -0.003 | 53.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | X | 38 | ARG | 1 | 0.769 | 0.856 | 56.237 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | X | 39 | GLN | 0 | 0.012 | 0.011 | 59.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | X | 40 | ALA | 0 | 0.047 | 0.034 | 61.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | X | 41 | PRO | 0 | 0.021 | 0.002 | 64.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | X | 42 | GLY | 0 | 0.014 | 0.004 | 67.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | X | 43 | LYS | 1 | 0.847 | 0.932 | 62.607 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | X | 44 | GLY | 0 | 0.091 | 0.040 | 60.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | X | 45 | LEU | 0 | -0.052 | -0.013 | 57.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | X | 46 | GLU | -1 | -0.792 | -0.875 | 55.084 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | X | 47 | TRP | 0 | -0.012 | 0.003 | 47.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | X | 48 | VAL | 0 | -0.012 | 0.001 | 52.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | X | 49 | SER | 0 | 0.003 | -0.030 | 49.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | X | 50 | VAL | 0 | -0.006 | -0.007 | 46.087 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | X | 51 | ILE | 0 | -0.019 | 0.016 | 46.842 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | X | 52 | TYR | 0 | 0.058 | 0.014 | 39.899 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | X | 53 | SER | 0 | 0.015 | 0.015 | 43.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | X | 54 | GLY | 0 | 0.012 | 0.007 | 40.962 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | X | 55 | GLY | 0 | -0.028 | -0.014 | 42.024 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | X | 56 | SER | 0 | -0.025 | -0.032 | 39.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | X | 57 | THR | 0 | -0.033 | -0.003 | 42.731 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | X | 58 | PHE | 0 | 0.000 | -0.003 | 39.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | X | 59 | TYR | 0 | 0.024 | 0.016 | 45.959 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | X | 60 | ALA | 0 | 0.061 | 0.039 | 47.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | X | 61 | ASP | -1 | -0.828 | -0.917 | 47.511 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | X | 62 | SER | 0 | -0.003 | 0.028 | 50.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | X | 63 | VAL | 0 | 0.021 | -0.001 | 52.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | X | 64 | LYS | 1 | 0.860 | 0.921 | 45.530 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | X | 65 | GLY | 0 | -0.016 | -0.002 | 50.499 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | X | 66 | ARG | 1 | 0.731 | 0.841 | 51.496 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | X | 67 | PHE | 0 | 0.015 | -0.012 | 53.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | X | 68 | THR | 0 | -0.047 | -0.028 | 51.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | X | 69 | ILE | 0 | -0.019 | 0.007 | 49.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | X | 70 | SER | 0 | -0.002 | -0.007 | 50.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | X | 71 | ARG | 1 | 0.857 | 0.920 | 45.851 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | X | 72 | ASP | -1 | -0.814 | -0.858 | 52.836 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | X | 73 | ASN | 0 | 0.028 | -0.015 | 48.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | X | 74 | SER | 0 | -0.012 | -0.023 | 53.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | X | 75 | LYS | 1 | 0.868 | 0.927 | 56.492 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | X | 76 | ASN | 0 | 0.010 | 0.021 | 55.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | X | 77 | THR | 0 | -0.021 | -0.018 | 56.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | X | 78 | LEU | 0 | 0.006 | 0.005 | 52.493 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | X | 79 | TYR | 0 | -0.021 | -0.033 | 55.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | X | 80 | LEU | 0 | 0.020 | 0.005 | 54.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | X | 81 | GLN | 0 | -0.007 | -0.003 | 56.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | X | 82 | MET | 0 | -0.037 | -0.003 | 56.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | X | 82 | ASN | 0 | 0.057 | 0.013 | 56.218 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | X | 82 | SER | 0 | -0.001 | 0.001 | 58.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | X | 82 | LEU | 0 | -0.005 | 0.012 | 60.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | X | 83 | ARG | 1 | 0.854 | 0.878 | 56.834 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | X | 84 | ALA | 0 | 0.059 | 0.021 | 63.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | X | 85 | GLU | -1 | -0.827 | -0.875 | 59.017 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | X | 86 | ASP | -1 | -0.757 | -0.833 | 59.527 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | X | 87 | THR | 0 | 0.003 | 0.016 | 62.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | X | 88 | ALA | 0 | -0.010 | -0.009 | 62.400 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | X | 89 | VAL | 0 | -0.022 | 0.004 | 64.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | X | 90 | TYR | 0 | -0.016 | -0.041 | 58.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | X | 91 | TYR | 0 | 0.024 | 0.013 | 59.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | X | 93 | ALA | 0 | 0.028 | 0.006 | 54.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | X | 94 | ARG | 1 | 0.771 | 0.859 | 50.227 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | X | 95 | ASP | -1 | -0.866 | -0.959 | 46.815 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | X | 96 | LEU | 0 | -0.026 | -0.015 | 46.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | X | 97 | ASP | -1 | -0.713 | -0.829 | 42.043 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | X | 98 | VAL | 0 | -0.036 | -0.016 | 43.799 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | X | 99 | TYR | 0 | -0.030 | -0.029 | 45.540 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | X | 100 | GLY | 0 | -0.001 | 0.002 | 48.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | X | 101 | LEU | 0 | -0.035 | -0.013 | 50.485 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | X | 102 | ASP | -1 | -0.752 | -0.878 | 52.921 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | X | 103 | VAL | 0 | -0.028 | -0.005 | 54.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | X | 104 | TRP | 0 | -0.040 | -0.034 | 55.957 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | X | 105 | GLY | 0 | 0.031 | 0.023 | 58.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | X | 106 | GLN | 0 | -0.077 | -0.067 | 61.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | X | 107 | GLY | 0 | 0.021 | 0.006 | 63.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | X | 108 | THR | 0 | -0.047 | -0.022 | 63.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | X | 109 | THR | 0 | 0.004 | -0.009 | 64.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | X | 110 | VAL | 0 | -0.006 | 0.006 | 63.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | X | 111 | THR | 0 | -0.030 | -0.018 | 66.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | X | 112 | VAL | 0 | 0.014 | 0.006 | 64.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | X | 113 | SER | 0 | 0.021 | -0.004 | 67.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | X | 114 | SER | 0 | 0.024 | 0.011 | 70.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | X | 115 | ALA | 0 | -0.031 | 0.003 | 72.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | X | 116 | SER | 0 | 0.001 | 0.000 | 75.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | X | 117 | THR | 0 | -0.019 | -0.022 | 78.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | X | 118 | LYS | 1 | 0.850 | 0.937 | 79.426 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | X | 119 | GLY | 0 | 0.071 | 0.030 | 82.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | X | 120 | PRO | 0 | -0.049 | -0.008 | 84.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | X | 121 | SER | 0 | -0.005 | -0.003 | 86.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | X | 122 | VAL | 0 | -0.008 | -0.001 | 88.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | X | 123 | PHE | 0 | 0.005 | -0.006 | 88.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | X | 124 | PRO | 0 | 0.022 | 0.014 | 91.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | X | 125 | LEU | 0 | -0.046 | -0.017 | 88.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | X | 126 | ALA | 0 | 0.024 | 0.000 | 93.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | X | 127 | PRO | 0 | 0.039 | 0.016 | 96.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | X | 128 | SER | 0 | -0.057 | -0.022 | 97.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | X | 129 | SER | 0 | 0.034 | 0.000 | 98.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | X | 130 | LYS | 1 | 0.900 | 0.959 | 97.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | X | 131 | SER | 0 | -0.019 | 0.002 | 93.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | X | 132 | THR | 0 | 0.012 | 0.021 | 94.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | X | 133 | SER | 0 | -0.003 | 0.003 | 96.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | X | 134 | GLY | 0 | 0.023 | 0.022 | 97.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | X | 135 | GLY | 0 | 0.054 | 0.024 | 98.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | X | 136 | THR | 0 | -0.043 | -0.002 | 95.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | X | 137 | ALA | 0 | 0.032 | 0.021 | 96.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | X | 138 | ALA | 0 | -0.002 | 0.011 | 91.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | X | 139 | LEU | 0 | -0.020 | -0.003 | 93.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | X | 140 | GLY | 0 | 0.047 | -0.001 | 90.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | X | 197 | CYS | 0 | -0.077 | -0.004 | 90.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | X | 142 | LEU | 0 | 0.001 | 0.017 | 84.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | X | 143 | VAL | 0 | 0.002 | 0.000 | 84.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | X | 144 | LYS | 1 | 0.870 | 0.901 | 82.901 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | X | 145 | ASP | -1 | -0.814 | -0.879 | 81.825 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | X | 146 | TYR | 0 | -0.029 | -0.040 | 79.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | X | 147 | PHE | 0 | 0.023 | 0.015 | 72.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | X | 148 | PRO | 0 | 0.023 | 0.017 | 74.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | X | 149 | GLU | -1 | -0.777 | -0.876 | 74.899 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | X | 150 | PRO | 0 | -0.042 | -0.019 | 76.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | X | 151 | VAL | 0 | 0.001 | -0.012 | 78.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | X | 152 | THR | 0 | -0.031 | 0.000 | 82.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | X | 153 | VAL | 0 | -0.004 | -0.011 | 84.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | X | 154 | SER | 0 | -0.018 | -0.003 | 87.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | X | 155 | TRP | 0 | 0.013 | 0.002 | 89.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | X | 156 | ASN | 0 | 0.000 | -0.012 | 93.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | X | 157 | SER | 0 | -0.015 | -0.014 | 94.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | X | 158 | GLY | 0 | 0.001 | 0.007 | 92.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | X | 159 | ALA | 0 | -0.036 | -0.010 | 93.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | X | 160 | LEU | 0 | -0.037 | -0.015 | 93.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | X | 161 | THR | 0 | 0.028 | 0.003 | 90.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | X | 162 | SER | 0 | 0.009 | 0.000 | 90.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | X | 163 | GLY | 0 | 0.051 | 0.020 | 90.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | X | 164 | VAL | 0 | -0.036 | -0.010 | 87.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | X | 165 | HIS | 1 | 0.789 | 0.882 | 84.465 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | X | 166 | THR | 0 | 0.057 | 0.027 | 82.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | X | 167 | PHE | 0 | -0.037 | -0.022 | 80.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | X | 168 | PRO | 0 | 0.023 | 0.012 | 75.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | X | 169 | ALA | 0 | 0.022 | 0.042 | 76.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | X | 170 | VAL | 0 | -0.016 | -0.004 | 75.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | X | 171 | LEU | 0 | -0.011 | -0.005 | 70.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | X | 172 | GLN | 0 | -0.003 | 0.000 | 74.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | X | 173 | SER | 0 | 0.016 | -0.001 | 74.168 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | X | 174 | SER | 0 | -0.011 | -0.005 | 75.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | X | 175 | GLY | 0 | 0.029 | 0.017 | 73.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | X | 176 | LEU | 0 | -0.037 | -0.007 | 74.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | X | 177 | TYR | 0 | 0.021 | 0.007 | 72.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | X | 178 | SER | 0 | -0.002 | -0.005 | 78.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | X | 179 | LEU | 0 | -0.009 | 0.012 | 79.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | X | 180 | SER | 0 | 0.026 | 0.013 | 82.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | X | 181 | SER | 0 | -0.011 | -0.015 | 84.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | X | 182 | VAL | 0 | 0.013 | 0.002 | 86.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | X | 183 | VAL | 0 | 0.015 | 0.007 | 89.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | X | 184 | THR | 0 | -0.012 | 0.006 | 91.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | X | 185 | VAL | 0 | -0.018 | -0.010 | 93.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | X | 186 | PRO | 0 | 0.059 | 0.012 | 97.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | X | 187 | SER | 0 | 0.004 | -0.028 | 100.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | X | 188 | SER | 0 | -0.005 | 0.001 | 102.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | X | 189 | SER | 0 | 0.015 | 0.002 | 101.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | X | 190 | LEU | 0 | -0.015 | -0.004 | 99.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | X | 191 | GLY | 0 | -0.003 | 0.006 | 103.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | X | 192 | THR | 0 | -0.039 | -0.019 | 105.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | X | 193 | GLN | 0 | 0.002 | 0.012 | 101.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | X | 194 | THR | 0 | -0.007 | -0.001 | 101.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | X | 195 | TYR | 0 | 0.031 | 0.008 | 97.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | X | 196 | ILE | 0 | 0.027 | 0.000 | 96.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | X | 198 | ASN | 0 | 0.022 | -0.007 | 91.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | X | 199 | VAL | 0 | 0.007 | 0.008 | 86.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | X | 200 | ASN | 0 | -0.022 | -0.031 | 85.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | X | 201 | HIS | 0 | 0.032 | 0.031 | 80.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | X | 202 | LYS | 1 | 1.002 | 0.991 | 82.401 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | X | 203 | PRO | 0 | 0.000 | 0.004 | 79.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | X | 204 | SER | 0 | -0.006 | -0.011 | 81.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | X | 205 | ASN | 0 | -0.039 | -0.016 | 83.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | X | 206 | THR | 0 | 0.003 | 0.001 | 86.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | X | 207 | LYS | 1 | 0.897 | 0.924 | 88.080 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | X | 208 | VAL | 0 | -0.032 | -0.012 | 90.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | X | 209 | ASP | -1 | -0.802 | -0.875 | 92.563 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | X | 210 | LYS | 1 | 0.843 | 0.900 | 93.901 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | X | 211 | LYS | 1 | 0.887 | 0.952 | 95.857 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | X | 212 | VAL | 0 | -0.020 | -0.016 | 94.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | X | 213 | GLU | -1 | -0.877 | -0.935 | 98.065 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | X | 214 | PRO | 0 | -0.006 | -0.013 | 100.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | X | 215 | LYS | 1 | 0.860 | 0.927 | 98.499 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | X | 216 | SER | 0 | 0.013 | 0.014 | 101.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | Z | 601 | NAG | 0 | 0.275 | 0.230 | 13.629 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |