FMODB ID: R1748
Calculation Name: 5RL8-B-Xray89
Preferred Name:
Target Type:
Ligand Name: n-(2-fluorophenyl)ethanesulfonamide
ligand 3-letter code: VVG
PDB ID: 5RL8
Chain ID: B
Base Structure: X-ray
Registration Date: 2021-02-01
Reference: T. Ohyama, K. Kamisaka, C. Watanabe, T. Honma et. al., FMO-based interaction energy analysis of SARS-Cov-2 related protein and ligand complexes, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHLSideSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | Waters within average of the temperature factors of receptor. |
Procedure | Auto-FMO protocol ver. 1.20200406 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 769 |
LigandCharge | CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13630297.601724 |
---|---|
FMO2-HF: Nuclear repulsion | 13383144.938248 |
FMO2-HF: Total energy | -247152.663476 |
FMO2-MP2: Total energy | -247855.00281 |
3D Structure
Ligand structure
VVG
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-23.561 | -29.250 | 21.635 | -9.286 | -6.656 | 0.046 |
Interactive mode: IFIE and PIEDA for fragment #702(B:953:HOH )
Summations of interaction energy for
fragment #702(B:953:HOH )
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. |
-23.561 | -29.25 | 21.635 | -9.286 | -6.656 | -0.046 |
Interaction energy analysis for fragmet #702(B:953:HOH )
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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | B | 2 | VAL | 0 | -0.028 | -0.033 | 26.404 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
2 | B | 3 | GLY | 0 | -0.007 | -0.001 | 23.610 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
3 | B | 4 | ALA | 0 | 0.006 | 0.005 | 21.803 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
4 | B | 5 | CYM | -1 | -0.781 | -0.736 | 18.766 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | 0.008 | 0.005 | 13.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | -0.005 | -0.022 | 12.523 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.026 | -0.023 | 16.040 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | -0.058 | -0.038 | 19.875 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | 0.003 | -0.017 | 21.567 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.054 | 0.035 | 23.215 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | THR | 0 | -0.024 | 0.000 | 23.043 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | SER | 0 | -0.009 | 0.000 | 25.018 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | LEU | 0 | 0.004 | 0.028 | 21.972 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ARG | 1 | 0.903 | 0.965 | 19.427 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | CYM | -1 | -0.823 | -0.706 | 15.341 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.011 | -0.017 | 17.561 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | -0.007 | -0.012 | 15.440 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | 0.008 | -0.082 | 12.627 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | -0.024 | 0.001 | 12.161 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.764 | 0.868 | 13.181 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.870 | 0.961 | 15.378 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.035 | 0.034 | 13.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.024 | -0.013 | 16.437 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | LEU | 0 | -0.022 | -0.015 | 14.609 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | -0.006 | -0.094 | 18.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.068 | -0.014 | 20.788 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.915 | 0.938 | 21.320 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.093 | 0.049 | 16.726 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.113 | -0.059 | 16.792 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.063 | 0.036 | 18.102 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.872 | -0.942 | 16.446 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.795 | 0.867 | 11.637 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.005 | 0.002 | 14.479 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.058 | -0.025 | 17.095 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.032 | -0.032 | 13.528 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.029 | -0.003 | 10.453 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.022 | 0.000 | 12.885 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | 0.011 | -0.015 | 11.454 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.907 | 0.961 | 15.356 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.018 | 0.007 | 18.973 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | -0.010 | -0.007 | 19.332 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.003 | -0.009 | 21.320 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | -0.040 | -0.037 | 23.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | 0.016 | 0.007 | 26.121 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | ASN | 0 | 0.002 | 0.008 | 28.851 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | 0.002 | 0.002 | 25.926 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.057 | -0.055 | 24.929 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.028 | 0.024 | 25.909 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.075 | -0.009 | 28.324 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | -0.023 | -0.012 | 31.677 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.044 | 0.019 | 34.443 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | -0.021 | -0.016 | 35.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | 0.013 | 0.014 | 35.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.043 | -0.017 | 33.399 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.887 | -0.933 | 29.139 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | 0.007 | -0.005 | 27.705 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.037 | -0.003 | 23.773 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.814 | -0.878 | 22.276 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.067 | 0.027 | 21.762 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.044 | -0.057 | 21.908 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.066 | -0.021 | 24.819 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.020 | -0.007 | 26.527 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.027 | -0.012 | 29.475 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.009 | 0.034 | 32.222 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | 0.015 | -0.015 | 33.910 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.017 | 0.026 | 37.556 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.031 | -0.033 | 37.004 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | 0.030 | 0.027 | 35.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | 0.013 | -0.012 | 30.750 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.019 | 0.010 | 32.881 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.002 | 0.012 | 31.287 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 1.016 | 0.980 | 32.383 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.010 | -0.019 | 34.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.077 | 0.019 | 35.569 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.799 | 0.933 | 35.813 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.051 | 0.040 | 37.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | -0.001 | -0.007 | 40.210 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.001 | 0.007 | 40.911 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.075 | 0.021 | 36.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | -0.012 | 0.025 | 32.307 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | 0.011 | 0.011 | 29.851 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | -0.005 | -0.012 | 27.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | -0.027 | -0.007 | 23.731 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.017 | 0.019 | 26.220 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | 0.017 | 0.013 | 27.879 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.027 | 0.008 | 23.997 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.008 | -0.004 | 23.271 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.019 | 0.011 | 21.601 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | 0.018 | 0.007 | 24.596 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.080 | 0.049 | 27.159 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.022 | -0.007 | 28.472 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | TYR | 0 | 0.035 | 0.017 | 28.057 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | LYS | 1 | 0.966 | 0.985 | 28.209 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | -0.022 | -0.015 | 28.949 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.016 | 0.004 | 28.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.035 | -0.008 | 23.510 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.030 | 0.024 | 22.957 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.039 | -0.007 | 20.173 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.032 | -0.040 | 16.342 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.869 | -0.910 | 17.286 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | 0.005 | -0.004 | 12.914 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | 0.007 | -0.003 | 12.222 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.011 | 0.000 | 8.109 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.780 | -0.864 | 6.564 | 1.276 | 1.276 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | 0.030 | -0.003 | 6.169 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.050 | 0.027 | 8.181 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.039 | 0.040 | 2.869 | -1.557 | -0.662 | 0.213 | -0.507 | -0.601 | 0.005 |
108 | B | 109 | ILE | 0 | -0.026 | -0.004 | 3.748 | -1.024 | -0.733 | 0.009 | -0.135 | -0.164 | -0.001 |
109 | B | 110 | ALA | 0 | -0.013 | -0.002 | 4.919 | -0.292 | -0.278 | -0.001 | -0.001 | -0.012 | 0.000 |
110 | B | 111 | THR | 0 | -0.016 | -0.017 | 6.302 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.034 | 0.039 | 2.783 | -3.311 | -1.818 | 0.656 | -1.088 | -1.060 | 0.009 |
112 | B | 113 | ASP | -1 | -0.762 | -0.807 | 4.738 | -1.629 | -1.606 | -0.001 | -0.008 | -0.015 | 0.000 |
113 | B | 114 | TRP | 0 | -0.022 | -0.028 | 5.205 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | 0.008 | -0.006 | 6.419 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.036 | 0.000 | 4.313 | 1.449 | 1.487 | -0.001 | -0.004 | -0.033 | 0.000 |
116 | B | 117 | ALA | 0 | 0.051 | 0.019 | 5.466 | -0.860 | -0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | -0.007 | -0.015 | 4.968 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.751 | -0.849 | 1.699 | -17.656 | -24.288 | 15.526 | -5.818 | -3.075 | -0.035 |
119 | B | 120 | TYR | 0 | -0.017 | -0.045 | 3.272 | 1.530 | 1.428 | 0.028 | 0.215 | -0.140 | 0.001 |
120 | B | 121 | ILE | 0 | -0.002 | 0.002 | 6.673 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.017 | 0.047 | 3.077 | 0.198 | 0.471 | 0.022 | -0.091 | -0.203 | 0.000 |
122 | B | 123 | ALA | 0 | -0.005 | -0.009 | 5.693 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | 0.009 | 0.007 | 7.316 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.064 | -0.046 | 9.022 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.038 | 0.021 | 8.146 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.065 | 0.024 | 10.183 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.667 | -0.802 | 12.566 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.943 | 0.962 | 14.479 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.034 | 0.021 | 9.444 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.836 | 0.936 | 10.140 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.008 | 0.007 | 11.609 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.020 | 0.012 | 8.903 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.046 | 0.010 | 7.523 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | 0.013 | 0.020 | 8.949 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.770 | -0.879 | 11.835 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.012 | -0.013 | 8.632 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.041 | 0.012 | 8.707 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.947 | 0.985 | 10.247 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.016 | -0.009 | 13.940 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | 0.008 | 0.003 | 10.309 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.737 | -0.802 | 12.531 | -0.734 | -0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.793 | -0.899 | 14.660 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.026 | -0.021 | 16.074 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.015 | 0.003 | 14.915 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.798 | 0.899 | 17.034 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | 0.010 | 0.009 | 20.411 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.079 | -0.040 | 19.007 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | -0.028 | -0.003 | 18.536 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | -0.001 | 0.000 | 23.486 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.028 | -0.022 | 27.122 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | 0.004 | 0.015 | 29.998 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | -0.008 | -0.017 | 32.135 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | 0.001 | 0.009 | 35.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.878 | 0.924 | 38.908 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.870 | -0.936 | 41.021 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.030 | -0.016 | 41.984 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | 0.007 | 0.006 | 42.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.000 | -0.007 | 44.514 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.758 | -0.852 | 44.012 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.811 | 0.887 | 40.204 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.929 | -0.978 | 39.710 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.022 | 0.001 | 37.365 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.013 | 0.008 | 38.871 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.014 | 0.000 | 32.995 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | -0.043 | -0.022 | 36.007 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.005 | -0.027 | 28.263 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.760 | -0.845 | 28.870 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.005 | 0.000 | 29.929 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.000 | -0.001 | 28.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.856 | 0.936 | 24.780 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | -0.004 | 0.020 | 20.887 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.988 | 0.993 | 24.045 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.017 | 0.025 | 22.810 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.031 | -0.007 | 21.074 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.034 | 0.000 | 24.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.003 | -0.018 | 23.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.849 | 0.877 | 26.602 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.024 | -0.004 | 21.323 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | -0.020 | 0.000 | 18.715 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.024 | 0.017 | 24.497 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.032 | -0.035 | 26.820 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.027 | 0.026 | 29.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.042 | 0.023 | 31.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.015 | -0.016 | 30.798 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.889 | 0.946 | 36.793 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | -0.010 | -0.021 | 39.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.085 | -0.058 | 41.580 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.987 | 0.983 | 43.729 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.031 | 0.008 | 43.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.030 | 0.022 | 38.625 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.920 | 0.997 | 33.610 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.021 | 0.017 | 38.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.013 | 0.000 | 31.538 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.003 | 0.009 | 36.415 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.045 | 0.032 | 36.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.920 | -0.958 | 29.660 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.027 | -0.028 | 31.467 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | -0.021 | 0.010 | 28.973 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | 0.018 | -0.007 | 30.354 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.811 | -0.874 | 30.491 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.882 | 0.930 | 31.683 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.075 | 0.046 | 33.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.070 | -0.024 | 36.610 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -0.008 | -0.017 | 38.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | 0.025 | 0.011 | 37.446 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.080 | -0.043 | 33.415 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.027 | 0.014 | 35.895 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.028 | -0.012 | 34.916 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.887 | 0.947 | 34.649 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.012 | 0.000 | 34.662 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.025 | -0.007 | 33.667 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.029 | 0.025 | 36.322 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.037 | -0.017 | 39.803 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.046 | 0.000 | 41.072 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.935 | 0.973 | 44.023 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | 0.012 | 0.023 | 39.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | 0.024 | 0.004 | 43.090 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.064 | 0.015 | 42.257 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.044 | -0.009 | 40.652 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.816 | -0.896 | 38.687 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | -0.019 | -0.010 | 33.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.046 | -0.022 | 31.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | -0.001 | -0.004 | 26.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | -0.011 | -0.001 | 22.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.039 | 0.007 | 25.104 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.027 | -0.011 | 21.524 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | -0.005 | -0.001 | 22.203 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.001 | -0.012 | 21.431 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.001 | 0.024 | 16.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.041 | 0.019 | 19.781 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | -0.002 | 0.000 | 18.527 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.047 | -0.006 | 15.441 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.057 | -0.044 | 19.062 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | 0.000 | 0.012 | 20.837 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.020 | 0.026 | 18.892 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.025 | -0.030 | 15.325 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.008 | -0.002 | 18.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.003 | 0.018 | 21.575 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.043 | 0.010 | 24.328 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.014 | 0.000 | 25.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.847 | -0.876 | 27.511 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | 0.003 | 0.004 | 30.517 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.038 | -0.041 | 33.636 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.018 | 0.004 | 37.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.954 | 0.974 | 40.768 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | 0.023 | 0.020 | 40.179 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | 0.010 | 0.023 | 38.349 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.031 | -0.006 | 39.350 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.032 | 0.023 | 37.731 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.005 | 0.001 | 42.236 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | -0.007 | -0.002 | 44.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.011 | 0.015 | 45.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.003 | -0.002 | 48.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.035 | -0.008 | 51.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | 0.002 | 0.001 | 45.720 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.014 | 0.006 | 48.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.848 | -0.945 | 48.387 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.797 | -0.866 | 46.369 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.025 | 0.001 | 42.086 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.005 | 0.015 | 43.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | 0.038 | 0.022 | 42.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.002 | 0.013 | 39.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.051 | 0.037 | 40.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.045 | 0.029 | 40.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.001 | -0.024 | 36.126 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.014 | -0.004 | 36.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.025 | 0.050 | 38.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.886 | 0.934 | 31.957 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.016 | 0.001 | 33.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.036 | 0.020 | 34.957 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.048 | -0.032 | 36.881 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | -0.029 | -0.017 | 29.858 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.834 | 0.934 | 29.199 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | 0.004 | -0.002 | 23.880 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | -0.001 | 0.010 | 28.959 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.008 | -0.014 | 24.368 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.001 | -0.002 | 27.563 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | 0.014 | 0.000 | 26.431 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.013 | -0.021 | 28.678 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | 0.006 | 0.026 | 30.165 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.008 | 0.005 | 30.218 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.048 | 0.032 | 32.869 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.022 | -0.017 | 33.540 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | 0.026 | 0.029 | 36.079 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.863 | 0.950 | 29.479 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.091 | 0.030 | 34.200 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.041 | -0.012 | 35.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.027 | 0.016 | 34.527 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.034 | 0.012 | 34.202 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.008 | 0.010 | 36.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.082 | 0.031 | 39.530 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.039 | -0.014 | 35.631 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.011 | 0.001 | 39.655 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | -0.006 | 0.009 | 41.512 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.007 | -0.005 | 42.097 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.006 | -0.034 | 39.227 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.047 | 0.051 | 43.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.009 | 0.008 | 45.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.067 | -0.022 | 40.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.850 | 0.918 | 37.178 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.038 | -0.016 | 35.577 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.014 | 0.018 | 32.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.027 | -0.034 | 32.800 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.016 | -0.026 | 27.463 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.025 | 0.010 | 26.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.067 | -0.024 | 21.395 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | 0.007 | 0.008 | 24.992 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.141 | 0.057 | 27.549 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.026 | 0.033 | 30.526 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.031 | 0.031 | 28.919 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.043 | 0.021 | 30.216 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.717 | -0.843 | 32.654 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | -0.005 | 0.006 | 33.984 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.059 | -0.027 | 31.814 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.019 | 0.000 | 36.036 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.772 | -0.857 | 38.735 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.823 | 0.914 | 38.989 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.029 | 0.002 | 39.880 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.024 | 0.001 | 41.670 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.862 | 0.946 | 44.149 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.081 | -0.081 | 43.574 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.020 | 0.010 | 41.243 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.038 | 0.024 | 45.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.086 | 0.042 | 46.138 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.875 | -0.928 | 46.223 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.874 | 0.927 | 45.296 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.050 | -0.012 | 41.854 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.060 | -0.036 | 40.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.816 | 0.887 | 33.352 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.017 | -0.019 | 34.119 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.010 | 0.002 | 34.724 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.018 | 0.005 | 31.396 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.026 | 0.003 | 34.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | -0.004 | 0.010 | 33.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | 0.019 | -0.002 | 34.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.050 | -0.047 | 31.518 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.959 | -0.948 | 34.949 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.055 | -0.027 | 35.139 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.036 | -0.001 | 37.156 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.928 | -0.948 | 39.500 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.889 | 0.939 | 42.588 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.051 | -0.020 | 39.829 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.897 | 0.950 | 43.710 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.056 | 0.031 | 39.670 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.065 | -0.031 | 37.638 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.011 | -0.005 | 39.721 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.052 | 0.005 | 36.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.019 | -0.014 | 39.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.823 | -0.872 | 41.574 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.068 | -0.046 | 40.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | 0.001 | -0.027 | 39.360 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.016 | -0.002 | 35.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.039 | 0.017 | 34.697 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.014 | -0.004 | 30.604 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.032 | 0.030 | 27.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.033 | 0.012 | 22.930 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.037 | -0.021 | 24.436 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | 0.019 | 0.013 | 25.911 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.014 | -0.005 | 26.963 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | -0.011 | -0.001 | 30.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.886 | -0.927 | 29.843 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.015 | -0.009 | 32.416 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | 0.045 | 0.030 | 33.118 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | 0.007 | 0.004 | 34.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.789 | -0.860 | 35.778 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.027 | -0.037 | 33.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.029 | 0.026 | 28.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.014 | -0.001 | 30.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.017 | -0.003 | 22.387 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.722 | -0.822 | 27.466 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.791 | -0.857 | 25.046 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.022 | 0.014 | 21.712 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.024 | 0.010 | 20.621 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.007 | 0.026 | 19.572 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | -0.008 | 0.017 | 19.743 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.037 | -0.014 | 14.864 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.050 | -0.016 | 11.980 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | 0.004 | -0.012 | 15.244 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.794 | -0.881 | 16.672 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.050 | -0.004 | 17.481 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.022 | 0.008 | 17.999 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.017 | 0.005 | 20.014 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.018 | 0.010 | 22.509 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.046 | -0.006 | 21.939 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.044 | -0.017 | 23.634 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.802 | 0.904 | 25.501 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.050 | 0.019 | 28.052 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.825 | 0.934 | 26.718 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.050 | 0.019 | 31.156 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.768 | 0.889 | 32.364 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.819 | 0.901 | 32.397 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | -0.014 | -0.023 | 27.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.013 | 0.005 | 29.690 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | -0.002 | -0.003 | 23.871 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.020 | 0.010 | 26.958 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.052 | 0.012 | 25.713 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.685 | -0.808 | 25.194 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.008 | 0.008 | 21.209 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | 0.024 | 0.024 | 21.626 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.067 | -0.028 | 23.971 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.016 | 0.013 | 21.469 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | -0.010 | 0.003 | 16.959 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.035 | 0.024 | 17.309 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.037 | -0.021 | 16.822 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.824 | 0.913 | 11.646 | 0.702 | 0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.026 | -0.023 | 13.625 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | -0.015 | -0.002 | 10.482 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.069 | -0.010 | 8.741 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.051 | -0.035 | 10.420 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.859 | 0.934 | 8.121 | 0.918 | 0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.044 | 0.014 | 9.306 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | 0.016 | 0.006 | 11.328 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | -0.004 | 0.014 | 10.448 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.798 | -0.879 | 12.782 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.018 | 0.001 | 14.878 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.864 | -0.900 | 14.476 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | -0.013 | -0.030 | 10.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.041 | 0.014 | 12.327 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.068 | 0.026 | 14.622 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.050 | -0.007 | 15.585 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | -0.007 | 0.008 | 16.804 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.067 | -0.037 | 17.812 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.864 | 0.923 | 14.116 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.003 | 0.016 | 17.620 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.030 | -0.011 | 20.987 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.886 | 0.942 | 19.388 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.068 | -0.028 | 18.131 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.011 | -0.002 | 21.337 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.049 | 0.050 | 24.122 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.054 | -0.036 | 26.026 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.762 | -0.833 | 27.419 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.067 | -0.008 | 30.193 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.019 | 0.010 | 29.837 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.043 | 0.005 | 32.756 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.071 | 0.014 | 34.415 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | -0.005 | 0.004 | 36.263 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.046 | -0.012 | 36.147 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.951 | 0.958 | 38.155 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.795 | 0.901 | 34.407 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.069 | -0.024 | 36.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.056 | 0.042 | 39.548 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.070 | 0.019 | 40.084 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.721 | -0.834 | 39.950 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.019 | -0.001 | 35.259 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.021 | -0.016 | 35.327 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.804 | -0.892 | 35.595 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.088 | -0.038 | 32.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.047 | 0.007 | 30.687 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.033 | -0.015 | 30.802 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | 0.006 | 0.009 | 31.599 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.088 | -0.023 | 27.335 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.004 | -0.011 | 25.147 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.040 | -0.040 | 26.851 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.768 | -0.864 | 28.058 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.040 | -0.019 | 30.853 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.845 | 0.917 | 28.888 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.051 | -0.011 | 32.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.869 | 0.921 | 35.447 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | -0.016 | -0.011 | 39.092 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.009 | 0.014 | 41.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.795 | 0.899 | 43.122 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.767 | -0.841 | 44.542 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.877 | 0.947 | 42.567 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.020 | -0.009 | 43.929 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.053 | -0.010 | 45.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | 0.025 | 0.028 | 45.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.017 | 0.017 | 40.313 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.043 | 0.020 | 41.308 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.802 | 0.902 | 37.287 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.013 | 0.016 | 38.544 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | 0.000 | 0.011 | 33.512 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.065 | 0.021 | 36.510 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.837 | 0.931 | 31.565 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.045 | 0.037 | 34.561 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.014 | -0.001 | 35.422 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | 0.000 | 0.021 | 28.997 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.040 | -0.007 | 32.437 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.048 | 0.015 | 26.942 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.765 | -0.860 | 28.997 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.043 | -0.019 | 27.050 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | 0.013 | 0.010 | 23.499 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.054 | -0.033 | 24.320 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.039 | 0.027 | 26.634 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.040 | -0.024 | 28.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | -0.027 | -0.038 | 32.460 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.983 | 0.979 | 34.572 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | -0.001 | 0.014 | 37.346 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.043 | 0.017 | 33.180 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.028 | 0.001 | 36.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.019 | -0.015 | 39.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.042 | 0.016 | 40.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | -0.002 | 0.007 | 39.244 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.902 | 0.941 | 42.465 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.798 | -0.900 | 45.237 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.023 | -0.010 | 44.480 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | -0.002 | -0.009 | 43.977 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.105 | -0.056 | 47.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.975 | 0.994 | 46.972 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.046 | -0.007 | 48.144 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.048 | 0.015 | 49.080 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.023 | 0.019 | 50.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | 0.005 | -0.001 | 41.768 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.964 | 0.992 | 45.073 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.856 | 0.945 | 45.774 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.024 | 0.000 | 41.444 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | 0.012 | 0.013 | 36.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | -0.020 | -0.015 | 34.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | 0.014 | -0.009 | 31.197 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.005 | -0.010 | 31.045 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.014 | -0.010 | 25.612 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | 0.009 | 0.017 | 24.141 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.037 | 0.016 | 27.678 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | 0.013 | -0.001 | 29.514 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.066 | 0.034 | 31.065 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.051 | -0.017 | 31.720 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.013 | 0.012 | 33.825 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.060 | -0.040 | 35.577 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.044 | 0.013 | 36.865 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.047 | -0.012 | 38.261 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.958 | 0.979 | 40.024 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.023 | -0.008 | 40.866 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.055 | -0.015 | 40.187 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.010 | 0.021 | 43.045 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.051 | -0.009 | 40.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.009 | 0.008 | 39.733 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | 0.006 | 0.010 | 35.201 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | -0.001 | 0.017 | 32.207 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | -0.019 | 0.000 | 27.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.039 | 0.008 | 26.507 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.768 | -0.829 | 22.621 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | 0.008 | -0.006 | 25.940 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.025 | -0.002 | 29.010 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.045 | 0.003 | 24.365 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | -0.017 | -0.007 | 29.219 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.033 | -0.009 | 31.924 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.854 | -0.916 | 34.713 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.091 | 0.022 | 35.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.770 | -0.817 | 40.061 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.030 | -0.025 | 41.946 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.000 | 0.014 | 35.390 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.030 | 0.007 | 38.452 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.022 | -0.004 | 29.112 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.020 | 0.028 | 33.227 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.089 | 0.029 | 27.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.047 | -0.028 | 29.135 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.020 | 0.004 | 26.093 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.750 | -0.818 | 26.816 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | 0.005 | 0.009 | 21.792 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.138 | 0.068 | 18.124 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.022 | -0.001 | 20.157 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.025 | -0.035 | 20.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.039 | 0.001 | 23.204 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | -0.003 | 0.023 | 18.430 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.065 | 0.023 | 21.728 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | 0.001 | -0.010 | 21.219 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.762 | 0.860 | 20.065 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.048 | 0.008 | 24.527 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.025 | -0.013 | 26.529 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.018 | 0.014 | 25.988 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.042 | -0.011 | 28.656 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.027 | -0.003 | 30.503 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.004 | -0.014 | 31.108 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.821 | 0.907 | 30.958 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.022 | 0.017 | 35.024 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.846 | 0.912 | 38.429 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.012 | 0.004 | 41.409 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.052 | 0.027 | 42.765 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.030 | -0.027 | 35.257 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.006 | 0.020 | 39.481 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.032 | 0.002 | 34.932 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | 0.010 | 0.004 | 36.202 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.036 | -0.009 | 30.407 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.014 | -0.022 | 30.095 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.719 | -0.826 | 27.880 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.794 | 0.871 | 30.100 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.768 | -0.849 | 27.068 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | -0.008 | -0.016 | 26.268 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | -0.001 | -0.009 | 30.319 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.764 | -0.844 | 33.458 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.862 | 0.923 | 27.103 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.027 | 0.008 | 33.448 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.038 | 0.001 | 35.481 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.005 | -0.029 | 36.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.027 | 0.012 | 40.580 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | -0.027 | -0.017 | 41.976 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.036 | -0.021 | 42.792 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.902 | -0.948 | 43.494 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.107 | -0.063 | 41.474 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.902 | -0.943 | 45.265 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 803 | HOH | 0 | -0.028 | -0.032 | 30.382 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 804 | HOH | 0 | -0.022 | -0.039 | 23.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 805 | HOH | 0 | -0.002 | -0.022 | 44.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 806 | HOH | 0 | -0.002 | -0.006 | 27.050 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 807 | HOH | 0 | 0.007 | -0.010 | 20.485 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 808 | HOH | 0 | 0.038 | 0.029 | 25.517 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 809 | HOH | 0 | -0.010 | -0.011 | 39.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 811 | HOH | 0 | -0.040 | -0.036 | 29.500 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 813 | HOH | 0 | -0.014 | -0.021 | 19.564 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 814 | HOH | 0 | -0.028 | -0.045 | 25.401 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 815 | HOH | 0 | -0.033 | -0.024 | 27.326 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 816 | HOH | 0 | -0.001 | -0.011 | 11.538 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 818 | HOH | 0 | -0.022 | -0.022 | 43.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 819 | HOH | 0 | -0.027 | -0.031 | 38.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 821 | HOH | 0 | -0.026 | -0.031 | 6.799 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 822 | HOH | 0 | 0.002 | -0.005 | 17.976 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 823 | HOH | 0 | -0.005 | -0.001 | 36.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 824 | HOH | 0 | -0.047 | -0.042 | 46.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 825 | HOH | 0 | 0.010 | 0.001 | 17.709 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 827 | HOH | 0 | -0.040 | -0.034 | 14.152 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 829 | HOH | 0 | -0.010 | -0.018 | 33.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 830 | HOH | 0 | -0.022 | -0.010 | 21.886 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 833 | HOH | 0 | -0.032 | -0.031 | 41.776 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 835 | HOH | 0 | 0.025 | 0.009 | 25.037 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 836 | HOH | 0 | -0.026 | -0.043 | 11.163 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 837 | HOH | 0 | -0.016 | -0.019 | 25.832 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 838 | HOH | 0 | -0.038 | -0.020 | 12.574 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 840 | HOH | 0 | -0.030 | -0.029 | 19.409 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 841 | HOH | 0 | -0.003 | -0.023 | 17.213 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 842 | HOH | 0 | -0.068 | -0.057 | 43.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 843 | HOH | 0 | -0.002 | -0.019 | 14.600 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 844 | HOH | 0 | -0.058 | -0.046 | 31.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 846 | HOH | 0 | -0.055 | -0.046 | 24.233 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 847 | HOH | 0 | 0.017 | 0.003 | 10.024 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 848 | HOH | 0 | -0.037 | -0.031 | 34.155 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 854 | HOH | 0 | 0.014 | 0.010 | 37.946 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 855 | HOH | 0 | -0.035 | -0.035 | 42.511 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 856 | HOH | 0 | -0.017 | -0.007 | 34.521 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 857 | HOH | 0 | -0.022 | -0.027 | 40.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 858 | HOH | 0 | -0.023 | -0.016 | 32.068 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 860 | HOH | 0 | -0.030 | -0.025 | 35.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 861 | HOH | 0 | 0.020 | -0.004 | 41.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 862 | HOH | 0 | 0.016 | -0.005 | 24.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 864 | HOH | 0 | -0.032 | -0.027 | 41.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 865 | HOH | 0 | -0.037 | -0.029 | 6.771 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 866 | HOH | 0 | -0.031 | -0.019 | 10.331 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 868 | HOH | 0 | 0.008 | 0.000 | 25.008 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 869 | HOH | 0 | -0.007 | -0.043 | 26.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 870 | HOH | 0 | -0.041 | -0.060 | 3.767 | 0.670 | 0.711 | 0.000 | -0.017 | -0.024 | 0.000 |
639 | B | 872 | HOH | 0 | -0.023 | -0.039 | 7.373 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 873 | HOH | 0 | 0.015 | 0.005 | 22.982 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 874 | HOH | 0 | -0.013 | -0.004 | 31.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 876 | HOH | 0 | -0.018 | -0.022 | 45.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 877 | HOH | 0 | -0.026 | -0.038 | 25.721 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 878 | HOH | 0 | 0.004 | -0.011 | 27.859 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 879 | HOH | 0 | -0.010 | -0.022 | 42.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 882 | HOH | 0 | -0.026 | -0.018 | 37.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 883 | HOH | 0 | 0.034 | 0.020 | 32.852 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 885 | HOH | 0 | -0.003 | -0.006 | 40.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 886 | HOH | 0 | -0.024 | -0.012 | 31.386 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 887 | HOH | 0 | -0.004 | -0.006 | 27.732 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 889 | HOH | 0 | -0.002 | -0.010 | 25.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 890 | HOH | 0 | -0.005 | -0.016 | 40.707 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 891 | HOH | 0 | -0.006 | -0.008 | 31.642 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 892 | HOH | 0 | -0.029 | -0.036 | 26.157 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 893 | HOH | 0 | -0.003 | -0.014 | 36.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 895 | HOH | 0 | -0.020 | -0.010 | 34.834 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 896 | HOH | 0 | -0.014 | -0.007 | 44.663 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 899 | HOH | 0 | -0.021 | -0.012 | 25.643 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 900 | HOH | 0 | 0.018 | 0.000 | 43.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 901 | HOH | 0 | -0.050 | -0.038 | 36.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 902 | HOH | 0 | 0.007 | -0.020 | 24.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 903 | HOH | 0 | -0.026 | -0.024 | 25.877 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 904 | HOH | 0 | -0.011 | -0.020 | 11.221 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 905 | HOH | 0 | 0.037 | 0.021 | 48.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 907 | HOH | 0 | -0.040 | -0.034 | 31.977 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 910 | HOH | 0 | -0.004 | -0.005 | 47.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 911 | HOH | 0 | 0.029 | 0.013 | 35.512 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 912 | HOH | 0 | -0.040 | -0.036 | 27.482 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 913 | HOH | 0 | 0.008 | -0.020 | 13.209 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 914 | HOH | 0 | -0.036 | -0.043 | 27.095 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 915 | HOH | 0 | 0.017 | 0.005 | 16.687 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 916 | HOH | 0 | -0.047 | -0.042 | 39.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 917 | HOH | 0 | -0.006 | -0.020 | 12.520 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 918 | HOH | 0 | 0.032 | 0.017 | 19.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 919 | HOH | 0 | 0.041 | 0.016 | 21.953 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 920 | HOH | 0 | -0.005 | -0.013 | 18.315 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 922 | HOH | 0 | 0.003 | 0.007 | 15.839 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 923 | HOH | 0 | -0.016 | -0.018 | 44.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 924 | HOH | 0 | -0.018 | -0.016 | 46.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 925 | HOH | 0 | -0.013 | -0.010 | 33.152 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 926 | HOH | 0 | -0.039 | -0.040 | 26.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 927 | HOH | 0 | -0.009 | -0.008 | 31.357 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 928 | HOH | 0 | 0.006 | -0.004 | 46.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 929 | HOH | 0 | -0.038 | -0.037 | 30.282 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 930 | HOH | 0 | -0.024 | -0.011 | 25.344 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 931 | HOH | 0 | -0.036 | -0.029 | 22.612 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 932 | HOH | 0 | 0.005 | -0.011 | 24.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 933 | HOH | 0 | -0.008 | -0.018 | 39.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 934 | HOH | 0 | -0.040 | -0.038 | 26.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 935 | HOH | 0 | -0.019 | -0.023 | 26.575 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 938 | HOH | 0 | -0.030 | -0.032 | 46.003 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 939 | HOH | 0 | -0.049 | -0.050 | 25.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 940 | HOH | 0 | -0.017 | -0.020 | 9.930 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 941 | HOH | 0 | -0.039 | -0.023 | 47.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 942 | HOH | 0 | -0.024 | -0.023 | 37.066 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 943 | HOH | 0 | -0.011 | -0.024 | 35.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 945 | HOH | 0 | -0.010 | -0.012 | 21.249 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 949 | HOH | 0 | -0.030 | -0.029 | 12.974 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 950 | HOH | 0 | 0.013 | -0.007 | 18.275 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 951 | HOH | 0 | 0.029 | 0.022 | 38.506 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | B | 952 | HOH | 0 | -0.024 | -0.039 | 10.176 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 954 | HOH | 0 | -0.002 | -0.011 | 1.982 | -5.358 | -7.381 | 5.184 | -1.832 | -1.329 | -0.025 |
704 | B | 955 | HOH | 0 | -0.003 | -0.017 | 27.850 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 956 | HOH | 0 | -0.009 | -0.013 | 24.288 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 957 | HOH | 0 | 0.013 | 0.006 | 30.768 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 958 | HOH | 0 | 0.009 | -0.002 | 37.856 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 961 | HOH | 0 | 0.034 | 0.018 | 35.316 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 963 | HOH | 0 | 0.009 | -0.008 | 43.610 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 964 | HOH | 0 | -0.011 | -0.020 | 29.900 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 965 | HOH | 0 | 0.052 | 0.030 | 27.314 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 966 | HOH | 0 | 0.017 | 0.003 | 18.979 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 968 | HOH | 0 | -0.016 | -0.018 | 45.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 969 | HOH | 0 | 0.014 | 0.001 | 23.578 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 971 | HOH | 0 | -0.005 | -0.006 | 45.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 972 | HOH | 0 | -0.049 | -0.032 | 19.011 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 973 | HOH | 0 | -0.040 | -0.028 | 40.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 975 | HOH | 0 | 0.031 | 0.017 | 6.187 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 976 | HOH | 0 | -0.003 | -0.004 | 38.472 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 977 | HOH | 0 | 0.006 | -0.003 | 17.430 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 979 | HOH | 0 | 0.021 | -0.001 | 27.072 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 981 | HOH | 0 | -0.002 | -0.005 | 17.882 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 982 | HOH | 0 | 0.005 | -0.007 | 38.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 984 | HOH | 0 | -0.018 | -0.003 | 28.317 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 985 | HOH | 0 | 0.002 | -0.009 | 29.171 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 986 | HOH | 0 | -0.028 | -0.025 | 47.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 989 | HOH | 0 | 0.042 | 0.024 | 24.670 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 990 | HOH | 0 | -0.007 | -0.022 | 45.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 991 | HOH | 0 | -0.050 | -0.049 | 48.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 993 | HOH | 0 | 0.030 | 0.017 | 18.204 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 994 | HOH | 0 | 0.005 | -0.008 | 48.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 995 | HOH | 0 | -0.011 | -0.007 | 42.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 998 | HOH | 0 | 0.013 | 0.000 | 25.617 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 999 | HOH | 0 | -0.039 | -0.030 | 44.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 1001 | HOH | 0 | -0.030 | -0.021 | 31.639 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 1002 | HOH | 0 | -0.032 | -0.028 | 40.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 1003 | HOH | 0 | 0.017 | 0.006 | 17.943 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | B | 1004 | HOH | 0 | 0.006 | 0.002 | 42.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | B | 1005 | HOH | 0 | -0.012 | -0.009 | 28.045 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | B | 1006 | HOH | 0 | -0.029 | -0.028 | 9.995 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | B | 1007 | HOH | 0 | 0.006 | -0.002 | 40.072 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | B | 1008 | HOH | 0 | -0.029 | -0.012 | 38.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | B | 1010 | HOH | 0 | 0.045 | 0.036 | 26.811 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | B | 1011 | HOH | 0 | -0.004 | -0.002 | 39.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | B | 1013 | HOH | 0 | -0.006 | -0.012 | 36.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | B | 1014 | HOH | 0 | 0.010 | 0.008 | 37.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | B | 1015 | HOH | 0 | -0.025 | -0.018 | 30.952 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | B | 1018 | HOH | 0 | -0.015 | -0.017 | 7.225 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | B | 1019 | HOH | 0 | 0.003 | -0.008 | 43.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | B | 1020 | HOH | 0 | 0.006 | -0.029 | 11.994 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | B | 1023 | HOH | 0 | 0.022 | 0.005 | 36.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | B | 1024 | HOH | 0 | -0.018 | -0.019 | 31.420 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | B | 1025 | HOH | 0 | -0.036 | -0.029 | 48.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | B | 1027 | HOH | 0 | 0.023 | 0.003 | 21.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | B | 1028 | HOH | 0 | -0.019 | -0.021 | 46.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | B | 1030 | HOH | 0 | -0.026 | -0.024 | 22.547 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | B | 1034 | HOH | 0 | -0.024 | -0.016 | 21.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | B | 1035 | HOH | 0 | 0.006 | -0.013 | 27.544 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | B | 1036 | HOH | 0 | 0.017 | 0.015 | 47.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | B | 1037 | HOH | 0 | 0.014 | 0.004 | 9.639 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | B | 1038 | HOH | 0 | -0.005 | -0.004 | 24.220 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | B | 1040 | HOH | 0 | 0.017 | 0.005 | 37.944 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | B | 1041 | HOH | 0 | 0.001 | -0.001 | 38.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | B | 1042 | HOH | 0 | -0.007 | -0.011 | 17.527 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | B | 1043 | HOH | 0 | 0.015 | 0.005 | 30.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | B | 1044 | HOH | 0 | 0.014 | 0.007 | 28.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | B | 1045 | HOH | 0 | 0.000 | 0.000 | 28.338 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | B | 1047 | HOH | 0 | -0.053 | -0.041 | 22.736 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | B | 702 | VVG | 0 | -0.017 | 0.008 | 27.803 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |