FMODB ID: V23Y1
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 | -13650111.187743 |
---|---|
FMO2-HF: Nuclear repulsion | 13402958.504714 |
FMO2-HF: Total energy | -247152.683029 |
FMO2-MP2: Total energy | -247855.032489 |
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. |
-42.417 | -49.502 | 27.051 | -11.633 | -8.334 | 0.023 |
Interactive mode: IFIE and PIEDA for fragment #701(B:952:HOH )
Summations of interaction energy for
fragment #701(B:952: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. |
-42.417 | -49.502 | 27.051 | -11.633 | -8.334 | -0.023 |
Interaction energy analysis for fragmet #701(B:952: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 | -0.027 | -0.032 | 22.620 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
2 | B | 3 | GLY | 0 | -0.008 | -0.001 | 19.461 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
3 | B | 4 | ALA | 0 | 0.006 | 0.005 | 15.464 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
4 | B | 5 | CYM | -1 | -0.781 | -0.736 | 12.686 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | 0.009 | 0.005 | 9.652 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | -0.004 | -0.021 | 6.496 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.028 | -0.025 | 8.378 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | -0.057 | -0.037 | 11.347 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | 0.001 | -0.018 | 13.750 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.056 | 0.037 | 16.236 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | THR | 0 | -0.023 | 0.000 | 17.615 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | SER | 0 | -0.009 | 0.001 | 20.008 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | LEU | 0 | 0.003 | 0.028 | 19.205 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ARG | 1 | 0.903 | 0.965 | 17.948 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | CYM | -1 | -0.823 | -0.706 | 16.197 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.012 | -0.016 | 18.120 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | -0.007 | -0.011 | 19.013 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | 0.007 | -0.082 | 14.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | -0.024 | 0.001 | 17.035 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.764 | 0.868 | 15.286 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.870 | 0.962 | 17.429 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.034 | 0.034 | 13.144 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.025 | -0.012 | 15.202 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | LEU | 0 | -0.022 | -0.016 | 11.852 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | -0.005 | -0.093 | 13.801 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.055 | -0.008 | 16.144 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.921 | 0.942 | 15.090 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.098 | 0.051 | 10.883 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.109 | -0.057 | 13.346 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.065 | 0.037 | 16.107 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.874 | -0.944 | 12.863 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.796 | 0.867 | 12.614 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.003 | 0.004 | 13.998 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.057 | -0.024 | 16.852 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.033 | -0.033 | 13.771 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.029 | -0.003 | 13.374 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.023 | 0.000 | 16.389 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | 0.011 | -0.015 | 15.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.906 | 0.960 | 18.737 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.017 | 0.008 | 21.629 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | -0.011 | -0.007 | 20.240 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.002 | -0.009 | 21.785 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | -0.039 | -0.036 | 22.325 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | 0.016 | 0.007 | 24.737 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | ASN | 0 | 0.003 | 0.009 | 27.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | 0.000 | 0.001 | 26.597 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.055 | -0.054 | 24.096 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.026 | 0.023 | 27.390 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.074 | -0.009 | 30.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | -0.023 | -0.012 | 32.935 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.044 | 0.019 | 36.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | -0.021 | -0.016 | 38.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | 0.012 | 0.013 | 39.668 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.043 | -0.017 | 36.554 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.888 | -0.933 | 33.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | 0.007 | -0.004 | 30.399 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.037 | -0.003 | 26.987 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.815 | -0.879 | 24.954 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.067 | 0.027 | 21.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.045 | -0.058 | 23.022 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.066 | -0.023 | 25.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.021 | -0.007 | 27.872 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.027 | -0.011 | 29.590 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.011 | 0.035 | 31.003 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | 0.016 | -0.014 | 32.859 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.015 | 0.025 | 36.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.030 | -0.033 | 35.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | 0.028 | 0.026 | 34.783 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | 0.016 | -0.010 | 30.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.018 | 0.009 | 33.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.002 | 0.012 | 33.062 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 1.016 | 0.981 | 34.055 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.011 | -0.020 | 35.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.076 | 0.018 | 37.958 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.800 | 0.933 | 36.186 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.050 | 0.040 | 37.988 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | -0.003 | -0.008 | 39.952 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.001 | 0.007 | 38.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.073 | 0.019 | 35.212 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | -0.018 | 0.026 | 29.547 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | 0.002 | 0.004 | 28.718 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | -0.020 | -0.014 | 26.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | -0.022 | -0.004 | 22.843 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.031 | 0.025 | 24.555 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | -0.015 | -0.006 | 24.324 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.009 | -0.001 | 20.266 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.015 | -0.005 | 18.781 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.018 | 0.015 | 20.020 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | 0.003 | 0.001 | 21.886 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.101 | 0.058 | 24.323 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.018 | -0.005 | 25.029 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | TYR | 0 | 0.033 | 0.016 | 22.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | LYS | 1 | 0.964 | 0.976 | 22.020 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | -0.024 | -0.010 | 22.472 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.022 | 0.001 | 20.934 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.026 | -0.006 | 16.837 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.028 | 0.029 | 13.397 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.031 | -0.012 | 12.869 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.029 | -0.038 | 7.608 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.865 | -0.920 | 8.163 | -1.496 | -1.496 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | -0.016 | -0.001 | 6.556 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | 0.011 | -0.004 | 6.534 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.023 | 0.007 | 6.492 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.776 | -0.863 | 1.622 | -25.206 | -33.864 | 20.752 | -8.634 | -3.459 | -0.077 |
105 | B | 106 | PHE | 0 | 0.031 | -0.002 | 4.564 | 1.090 | 1.128 | -0.001 | -0.007 | -0.031 | 0.000 |
106 | B | 107 | ASN | 0 | 0.049 | 0.027 | 6.791 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.039 | 0.039 | 7.421 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | -0.026 | -0.004 | 5.230 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.013 | -0.002 | 9.151 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.016 | -0.017 | 11.916 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.034 | 0.039 | 12.121 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.762 | -0.807 | 13.927 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.022 | -0.028 | 10.155 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | 0.009 | -0.006 | 16.035 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.036 | 0.000 | 15.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.050 | 0.019 | 15.077 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | -0.007 | -0.015 | 12.230 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.751 | -0.849 | 10.283 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | -0.016 | -0.044 | 10.001 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.002 | 0.002 | 9.276 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.016 | 0.047 | 3.769 | 0.145 | 0.213 | 0.000 | -0.025 | -0.042 | 0.000 |
122 | B | 123 | ALA | 0 | -0.006 | -0.009 | 5.772 | 0.628 | 0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | 0.010 | 0.007 | 8.053 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.064 | -0.046 | 6.659 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.038 | 0.021 | 2.567 | -2.540 | -1.344 | 1.613 | -1.408 | -1.401 | 0.014 |
126 | B | 127 | THR | 0 | 0.065 | 0.024 | 2.135 | -7.782 | -8.743 | 4.087 | -0.661 | -2.466 | 0.027 |
127 | B | 128 | GLU | -1 | -0.667 | -0.803 | 4.167 | 0.527 | 0.675 | 0.002 | -0.094 | -0.056 | 0.001 |
128 | B | 129 | ARG | 1 | 0.943 | 0.962 | 7.606 | -1.501 | -1.501 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.033 | 0.021 | 2.724 | -2.614 | -1.530 | 0.598 | -0.804 | -0.879 | 0.012 |
130 | B | 131 | LYS | 1 | 0.837 | 0.936 | 6.351 | -2.586 | -2.586 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.009 | 0.006 | 8.260 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.020 | 0.012 | 8.542 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.046 | 0.010 | 8.343 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | 0.012 | 0.020 | 10.382 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.770 | -0.879 | 13.322 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.012 | -0.013 | 12.721 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.042 | 0.011 | 13.911 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.947 | 0.985 | 15.571 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.015 | -0.009 | 18.248 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | 0.008 | 0.003 | 17.118 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.737 | -0.802 | 19.335 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.793 | -0.899 | 21.482 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.025 | -0.021 | 22.849 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.014 | 0.003 | 23.450 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.798 | 0.899 | 25.341 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | 0.010 | 0.009 | 27.832 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.079 | -0.040 | 27.963 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | -0.028 | -0.004 | 28.050 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | -0.001 | 0.000 | 32.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.028 | -0.022 | 36.246 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | 0.004 | 0.015 | 38.520 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | -0.007 | -0.017 | 40.856 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | 0.001 | 0.009 | 44.431 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.878 | 0.924 | 47.362 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.869 | -0.936 | 49.971 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.031 | -0.017 | 50.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | 0.008 | 0.007 | 51.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.002 | -0.006 | 52.674 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.755 | -0.855 | 51.213 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.754 | 0.868 | 46.516 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.927 | -0.981 | 47.635 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.027 | -0.002 | 45.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.014 | 0.009 | 47.946 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.014 | 0.000 | 41.759 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | -0.042 | -0.022 | 45.332 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.004 | -0.027 | 37.293 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.760 | -0.845 | 37.666 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.005 | 0.000 | 39.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.000 | -0.001 | 38.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.856 | 0.936 | 33.246 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | -0.004 | 0.020 | 31.015 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.989 | 0.994 | 34.207 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.016 | 0.025 | 32.101 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.029 | -0.005 | 30.471 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.031 | 0.003 | 33.659 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.002 | -0.019 | 31.983 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.853 | 0.887 | 33.762 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.018 | -0.002 | 28.743 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | -0.020 | -0.001 | 27.644 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.024 | 0.017 | 31.941 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.032 | -0.035 | 33.425 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.027 | 0.027 | 35.883 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.042 | 0.023 | 37.888 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.014 | -0.015 | 36.593 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.888 | 0.946 | 43.247 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | -0.010 | -0.021 | 46.765 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.084 | -0.058 | 47.487 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.987 | 0.983 | 49.823 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.031 | 0.008 | 49.129 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.030 | 0.022 | 43.746 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.919 | 0.997 | 39.694 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.022 | 0.017 | 43.359 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.014 | 0.001 | 36.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.002 | 0.009 | 41.994 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.046 | 0.034 | 41.279 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.921 | -0.957 | 34.552 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.023 | -0.026 | 37.806 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | -0.016 | 0.012 | 35.814 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | 0.016 | -0.007 | 38.160 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.810 | -0.868 | 38.691 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.856 | 0.925 | 40.237 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.082 | 0.052 | 43.129 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.064 | -0.021 | 45.937 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -0.004 | -0.015 | 48.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | 0.024 | 0.010 | 47.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.078 | -0.042 | 42.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.031 | 0.017 | 44.306 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.005 | 0.001 | 42.757 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.907 | 0.952 | 41.295 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.022 | 0.001 | 41.138 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.025 | -0.006 | 38.728 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.026 | 0.022 | 41.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.031 | -0.011 | 45.258 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.043 | -0.002 | 46.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.932 | 0.972 | 50.232 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | 0.012 | 0.021 | 46.097 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | 0.024 | 0.004 | 50.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.063 | 0.014 | 49.941 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.044 | -0.008 | 48.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.818 | -0.896 | 46.003 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | -0.019 | -0.010 | 40.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.047 | -0.024 | 39.049 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | 0.001 | -0.003 | 33.711 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | -0.011 | -0.001 | 30.400 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.040 | 0.008 | 31.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.028 | -0.011 | 27.189 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | -0.003 | 0.000 | 27.036 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.001 | -0.012 | 24.890 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.001 | 0.024 | 19.095 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.042 | 0.019 | 21.742 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | -0.002 | -0.001 | 18.050 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.048 | -0.006 | 14.328 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.057 | -0.045 | 15.908 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | -0.001 | 0.012 | 15.525 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.020 | 0.026 | 13.322 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.025 | -0.031 | 12.179 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.005 | -0.001 | 14.252 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.000 | 0.017 | 15.255 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.045 | 0.010 | 16.401 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.014 | -0.003 | 17.741 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.825 | -0.883 | 19.997 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | 0.003 | 0.004 | 23.222 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.044 | -0.040 | 26.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.019 | 0.004 | 29.813 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.954 | 0.974 | 33.060 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | 0.024 | 0.020 | 33.516 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | 0.009 | 0.023 | 31.199 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.030 | -0.005 | 33.053 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.032 | 0.023 | 32.543 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.005 | 0.001 | 36.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | -0.007 | -0.002 | 38.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.011 | 0.015 | 40.960 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.004 | -0.001 | 44.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.035 | -0.008 | 47.258 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | 0.001 | 0.001 | 42.709 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.014 | 0.006 | 46.029 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.848 | -0.945 | 45.767 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.797 | -0.866 | 44.983 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.025 | 0.000 | 40.238 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.005 | 0.015 | 40.987 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | 0.038 | 0.023 | 40.315 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.002 | 0.013 | 36.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.051 | 0.037 | 36.682 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.045 | 0.029 | 36.533 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.001 | -0.024 | 32.841 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.013 | -0.004 | 32.611 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.025 | 0.050 | 34.179 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.886 | 0.934 | 26.806 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.016 | 0.001 | 29.190 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.036 | 0.020 | 29.557 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.048 | -0.032 | 30.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | -0.027 | -0.017 | 24.130 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.831 | 0.944 | 22.081 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | -0.005 | -0.005 | 17.791 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | 0.001 | 0.012 | 23.535 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.008 | -0.013 | 20.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.001 | -0.002 | 24.221 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | 0.014 | -0.001 | 25.928 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.014 | -0.018 | 27.479 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | 0.004 | 0.025 | 30.549 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.010 | 0.003 | 31.796 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.049 | 0.032 | 34.441 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.021 | -0.017 | 33.793 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | 0.027 | 0.030 | 36.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.879 | 0.955 | 30.055 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.089 | 0.029 | 33.708 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.042 | -0.013 | 35.580 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.027 | 0.017 | 31.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.033 | 0.012 | 32.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.008 | 0.010 | 34.256 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.082 | 0.032 | 37.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.038 | -0.014 | 32.094 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.011 | 0.001 | 36.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | -0.006 | 0.009 | 38.493 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.007 | -0.005 | 37.718 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.006 | -0.034 | 34.665 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.047 | 0.051 | 39.182 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.009 | 0.008 | 41.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.067 | -0.022 | 35.685 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.850 | 0.918 | 33.841 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.037 | -0.015 | 32.458 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.012 | 0.017 | 30.234 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.026 | -0.034 | 30.453 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.017 | -0.026 | 26.287 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.025 | 0.010 | 26.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.067 | -0.024 | 23.331 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | 0.005 | 0.008 | 26.594 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.144 | 0.059 | 30.048 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.031 | 0.034 | 33.492 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.025 | 0.029 | 30.547 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.043 | 0.018 | 31.194 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.715 | -0.843 | 33.527 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | -0.012 | 0.003 | 35.381 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.060 | -0.028 | 31.546 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.018 | 0.000 | 36.213 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.771 | -0.858 | 39.034 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.825 | 0.915 | 38.873 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.028 | 0.002 | 39.092 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.024 | 0.001 | 41.023 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.863 | 0.946 | 43.998 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.080 | -0.081 | 42.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.020 | 0.010 | 39.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.038 | 0.024 | 44.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.086 | 0.042 | 44.812 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.874 | -0.927 | 45.117 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.874 | 0.927 | 42.851 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.049 | -0.012 | 40.556 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.062 | -0.038 | 39.081 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.818 | 0.887 | 34.727 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.029 | -0.026 | 33.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.006 | -0.001 | 35.420 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.004 | 0.018 | 33.198 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.009 | -0.005 | 35.827 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | -0.007 | 0.008 | 35.736 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | 0.022 | 0.000 | 37.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.052 | -0.048 | 35.583 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.958 | -0.947 | 38.725 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.054 | -0.026 | 37.656 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.035 | -0.002 | 39.519 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.928 | -0.947 | 41.142 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.888 | 0.939 | 43.774 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.052 | -0.021 | 39.574 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.896 | 0.949 | 43.319 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.060 | 0.034 | 40.311 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.065 | -0.032 | 37.747 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.006 | -0.008 | 39.288 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.051 | 0.005 | 34.511 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.024 | -0.019 | 36.661 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.821 | -0.871 | 39.060 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.067 | -0.045 | 38.252 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | 0.002 | -0.026 | 36.980 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.018 | -0.003 | 33.940 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.041 | 0.018 | 33.818 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.015 | -0.004 | 30.351 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.036 | 0.032 | 29.137 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.032 | 0.012 | 22.748 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.035 | -0.020 | 25.861 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | 0.056 | 0.038 | 26.750 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | 0.009 | 0.002 | 25.644 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | -0.017 | -0.009 | 29.084 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.891 | -0.929 | 26.757 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.018 | -0.014 | 29.118 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | 0.046 | 0.031 | 29.111 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | 0.005 | 0.004 | 30.409 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.789 | -0.860 | 30.840 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.026 | -0.036 | 29.724 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.029 | 0.026 | 25.855 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.014 | -0.001 | 27.489 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.017 | -0.003 | 21.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.726 | -0.823 | 26.123 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.793 | -0.855 | 26.643 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.023 | 0.015 | 20.945 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.025 | 0.010 | 21.705 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.007 | 0.027 | 21.823 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | -0.008 | 0.017 | 20.610 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.038 | -0.014 | 17.208 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.049 | -0.017 | 11.395 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | 0.005 | -0.011 | 14.974 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.794 | -0.881 | 16.971 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.050 | -0.004 | 15.549 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.022 | 0.009 | 15.240 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.018 | 0.005 | 17.195 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.018 | 0.009 | 20.713 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.046 | -0.005 | 17.315 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.044 | -0.017 | 20.085 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.801 | 0.907 | 21.689 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.050 | 0.019 | 24.562 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.824 | 0.933 | 21.241 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.048 | 0.018 | 25.809 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.763 | 0.889 | 26.505 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.821 | 0.904 | 26.788 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | -0.011 | -0.022 | 23.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.013 | 0.005 | 25.176 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | -0.002 | -0.003 | 20.248 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.021 | 0.010 | 24.504 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.051 | 0.012 | 25.722 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.686 | -0.807 | 25.879 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.009 | 0.009 | 21.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | 0.019 | 0.022 | 23.232 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.064 | -0.027 | 25.880 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.017 | 0.014 | 25.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | -0.011 | 0.003 | 20.851 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.035 | 0.024 | 21.175 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.036 | -0.021 | 21.950 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.823 | 0.913 | 16.617 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.026 | -0.023 | 20.977 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | -0.014 | -0.001 | 18.661 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.069 | -0.010 | 17.536 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.050 | -0.035 | 20.361 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.859 | 0.935 | 19.534 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.044 | 0.014 | 18.904 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | 0.016 | 0.005 | 19.980 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | -0.005 | 0.014 | 15.207 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.775 | -0.871 | 17.181 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.011 | -0.001 | 17.386 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.867 | -0.902 | 14.388 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | -0.013 | -0.031 | 11.065 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.042 | 0.013 | 14.306 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.068 | 0.025 | 14.680 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.051 | -0.006 | 12.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | -0.007 | 0.008 | 13.995 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.067 | -0.037 | 17.691 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.861 | 0.921 | 11.037 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.003 | 0.016 | 15.172 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.030 | -0.011 | 17.173 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.880 | 0.940 | 18.273 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.067 | -0.028 | 14.621 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.012 | -0.003 | 17.512 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.050 | 0.051 | 20.071 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.054 | -0.036 | 22.172 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.763 | -0.833 | 23.606 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.068 | -0.008 | 25.979 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.020 | 0.010 | 28.244 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.044 | 0.005 | 30.657 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.070 | 0.014 | 33.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | -0.004 | 0.004 | 35.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.047 | -0.012 | 37.346 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.950 | 0.958 | 38.813 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.796 | 0.901 | 37.360 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.070 | -0.024 | 39.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.055 | 0.041 | 41.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.071 | 0.020 | 42.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.719 | -0.834 | 42.127 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.020 | -0.001 | 38.545 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.021 | -0.016 | 37.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.803 | -0.891 | 37.355 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.088 | -0.038 | 36.341 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.047 | 0.007 | 33.114 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.033 | -0.015 | 32.602 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | 0.006 | 0.010 | 32.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.088 | -0.023 | 30.635 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.001 | -0.010 | 27.761 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.040 | -0.038 | 27.715 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.775 | -0.866 | 27.504 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.041 | -0.020 | 30.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.851 | 0.922 | 27.666 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.052 | -0.012 | 33.729 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.869 | 0.921 | 35.431 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | -0.016 | -0.011 | 39.236 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.009 | 0.014 | 41.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.795 | 0.900 | 44.169 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.726 | -0.812 | 45.835 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.877 | 0.948 | 44.784 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.025 | -0.015 | 47.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.049 | -0.008 | 49.180 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | 0.024 | 0.028 | 49.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.017 | 0.017 | 44.512 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.041 | 0.019 | 46.323 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.804 | 0.902 | 42.331 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.013 | 0.016 | 44.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | 0.000 | 0.011 | 40.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.065 | 0.021 | 43.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.837 | 0.931 | 39.580 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.045 | 0.037 | 43.248 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.015 | 0.000 | 44.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | 0.000 | 0.021 | 38.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.038 | -0.006 | 42.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.049 | 0.016 | 36.829 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.751 | -0.839 | 39.078 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.003 | -0.006 | 37.395 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | 0.016 | 0.008 | 33.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.057 | -0.036 | 33.919 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.037 | 0.028 | 36.192 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.038 | -0.022 | 38.169 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | -0.028 | -0.038 | 41.507 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.982 | 0.979 | 43.571 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | -0.001 | 0.014 | 46.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.043 | 0.017 | 41.087 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.028 | 0.001 | 44.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.019 | -0.014 | 47.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.042 | 0.016 | 48.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | -0.002 | 0.007 | 46.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.902 | 0.941 | 49.813 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.798 | -0.900 | 52.893 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.023 | -0.010 | 51.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | -0.002 | -0.009 | 50.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.105 | -0.056 | 54.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.975 | 0.994 | 53.927 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.046 | -0.008 | 54.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.048 | 0.014 | 55.094 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.022 | 0.018 | 55.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | 0.005 | -0.001 | 47.111 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.961 | 0.990 | 50.990 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.857 | 0.943 | 50.702 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.026 | 0.004 | 47.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | 0.011 | 0.014 | 42.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | -0.021 | -0.015 | 42.016 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | 0.013 | -0.009 | 37.377 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.006 | -0.009 | 38.236 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.016 | -0.010 | 32.980 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | 0.007 | 0.015 | 33.250 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.015 | -0.005 | 36.062 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | -0.006 | -0.029 | 37.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.065 | 0.034 | 39.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.050 | -0.017 | 38.796 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.014 | 0.012 | 41.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.059 | -0.039 | 44.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.044 | 0.013 | 44.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.046 | -0.012 | 45.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.957 | 0.979 | 47.776 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.022 | -0.008 | 49.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.055 | -0.015 | 47.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.009 | 0.021 | 50.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.050 | -0.009 | 47.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.006 | 0.006 | 45.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | 0.006 | 0.012 | 42.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | 0.009 | 0.024 | 37.962 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | -0.009 | 0.005 | 34.284 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.056 | 0.011 | 32.154 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.764 | -0.825 | 28.804 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.023 | -0.021 | 31.609 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.029 | -0.006 | 34.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.052 | 0.005 | 27.525 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | -0.015 | -0.005 | 33.066 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.035 | -0.009 | 34.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.852 | -0.915 | 38.198 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.091 | 0.021 | 39.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.768 | -0.816 | 44.101 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.031 | -0.026 | 46.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.000 | 0.013 | 40.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.030 | 0.007 | 43.964 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.022 | -0.004 | 35.743 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.020 | 0.028 | 40.856 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.089 | 0.029 | 34.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.047 | -0.028 | 37.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.021 | 0.004 | 34.585 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.750 | -0.818 | 34.880 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | 0.005 | 0.009 | 30.775 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.137 | 0.068 | 26.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.023 | -0.002 | 27.977 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.024 | -0.035 | 28.933 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.039 | 0.001 | 30.277 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | -0.003 | 0.023 | 23.938 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.066 | 0.023 | 26.014 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | -0.003 | -0.016 | 23.749 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.760 | 0.859 | 26.564 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.048 | 0.008 | 29.786 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.025 | -0.014 | 29.284 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.018 | 0.014 | 29.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.042 | -0.011 | 32.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.027 | -0.003 | 35.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.005 | -0.014 | 34.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.820 | 0.907 | 33.807 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.022 | 0.017 | 38.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.846 | 0.912 | 42.178 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.011 | 0.005 | 44.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.052 | 0.026 | 46.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.030 | -0.027 | 40.373 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.006 | 0.020 | 44.814 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.032 | 0.002 | 40.588 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | 0.010 | 0.004 | 42.599 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.036 | -0.009 | 36.554 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.015 | -0.022 | 37.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.720 | -0.826 | 34.249 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.794 | 0.871 | 37.189 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.769 | -0.849 | 32.434 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | -0.008 | -0.017 | 31.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | -0.001 | -0.009 | 35.761 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.764 | -0.843 | 38.809 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.861 | 0.923 | 31.473 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.027 | 0.008 | 37.638 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.038 | 0.001 | 38.255 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.004 | -0.029 | 40.421 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.027 | 0.012 | 44.877 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | -0.028 | -0.017 | 47.443 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.036 | -0.021 | 48.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.902 | -0.948 | 49.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.107 | -0.063 | 48.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.902 | -0.943 | 52.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 803 | HOH | 0 | -0.028 | -0.032 | 24.915 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 804 | HOH | 0 | -0.022 | -0.039 | 25.031 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 805 | HOH | 0 | -0.002 | -0.021 | 48.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 806 | HOH | 0 | -0.003 | -0.006 | 26.231 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 807 | HOH | 0 | 0.007 | -0.009 | 17.528 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 808 | HOH | 0 | 0.038 | 0.030 | 20.657 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 809 | HOH | 0 | -0.010 | -0.011 | 37.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 811 | HOH | 0 | -0.009 | -0.018 | 30.074 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 813 | HOH | 0 | -0.014 | -0.021 | 21.969 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 814 | HOH | 0 | -0.024 | -0.044 | 32.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 815 | HOH | 0 | -0.032 | -0.023 | 30.178 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 816 | HOH | 0 | -0.001 | -0.011 | 16.046 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 818 | HOH | 0 | -0.022 | -0.023 | 49.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 819 | HOH | 0 | -0.027 | -0.031 | 36.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 821 | HOH | 0 | -0.026 | -0.031 | 13.186 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 822 | HOH | 0 | 0.002 | -0.005 | 26.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 823 | HOH | 0 | -0.003 | 0.004 | 37.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 824 | HOH | 0 | -0.019 | -0.017 | 48.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 825 | HOH | 0 | 0.009 | 0.002 | 18.357 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 827 | HOH | 0 | -0.040 | -0.034 | 18.443 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 829 | HOH | 0 | -0.010 | -0.018 | 29.939 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 830 | HOH | 0 | -0.023 | -0.011 | 18.360 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 833 | HOH | 0 | -0.030 | -0.029 | 44.145 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 835 | HOH | 0 | 0.026 | 0.008 | 33.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 836 | HOH | 0 | -0.026 | -0.044 | 18.791 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 837 | HOH | 0 | -0.017 | -0.019 | 35.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 838 | HOH | 0 | -0.038 | -0.019 | 15.826 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 840 | HOH | 0 | -0.041 | -0.035 | 22.160 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 841 | HOH | 0 | -0.003 | -0.023 | 19.762 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 842 | HOH | 0 | -0.068 | -0.057 | 44.321 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 843 | HOH | 0 | -0.001 | -0.019 | 20.945 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 844 | HOH | 0 | -0.053 | -0.040 | 32.421 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 846 | HOH | 0 | -0.055 | -0.046 | 29.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 847 | HOH | 0 | 0.017 | 0.003 | 14.964 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 848 | HOH | 0 | -0.039 | -0.034 | 27.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 854 | HOH | 0 | 0.014 | 0.010 | 38.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 855 | HOH | 0 | -0.035 | -0.035 | 40.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 856 | HOH | 0 | -0.015 | -0.007 | 36.689 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 857 | HOH | 0 | -0.022 | -0.027 | 42.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 858 | HOH | 0 | -0.024 | -0.017 | 26.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 860 | HOH | 0 | -0.033 | -0.025 | 26.742 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 861 | HOH | 0 | 0.020 | -0.004 | 41.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 862 | HOH | 0 | 0.016 | -0.005 | 25.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 864 | HOH | 0 | -0.032 | -0.027 | 42.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 865 | HOH | 0 | -0.037 | -0.029 | 8.888 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 866 | HOH | 0 | -0.031 | -0.019 | 9.686 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 868 | HOH | 0 | 0.007 | 0.000 | 20.885 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 869 | HOH | 0 | -0.011 | -0.045 | 21.913 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 870 | HOH | 0 | -0.041 | -0.060 | 15.021 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 872 | HOH | 0 | -0.023 | -0.039 | 18.653 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 873 | HOH | 0 | 0.016 | 0.006 | 15.971 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 874 | HOH | 0 | -0.013 | -0.004 | 40.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 876 | HOH | 0 | -0.018 | -0.022 | 48.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 877 | HOH | 0 | -0.026 | -0.039 | 31.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 878 | HOH | 0 | -0.024 | -0.022 | 37.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 879 | HOH | 0 | -0.010 | -0.022 | 38.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 882 | HOH | 0 | -0.024 | -0.019 | 38.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 883 | HOH | 0 | 0.035 | 0.016 | 40.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 885 | HOH | 0 | -0.003 | -0.006 | 41.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 886 | HOH | 0 | -0.025 | -0.014 | 35.254 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 887 | HOH | 0 | -0.003 | -0.005 | 29.949 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 889 | HOH | 0 | 0.000 | -0.006 | 25.950 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 890 | HOH | 0 | -0.005 | -0.016 | 43.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 891 | HOH | 0 | -0.009 | -0.009 | 31.796 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 892 | HOH | 0 | -0.029 | -0.036 | 21.000 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 893 | HOH | 0 | -0.004 | -0.014 | 35.056 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 895 | HOH | 0 | -0.013 | -0.002 | 32.201 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 896 | HOH | 0 | -0.014 | -0.006 | 38.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 899 | HOH | 0 | -0.021 | -0.011 | 31.903 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 900 | HOH | 0 | 0.018 | 0.000 | 38.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 901 | HOH | 0 | -0.050 | -0.038 | 41.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 902 | HOH | 0 | 0.008 | -0.020 | 19.514 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 903 | HOH | 0 | -0.025 | -0.024 | 32.917 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 904 | HOH | 0 | -0.011 | -0.020 | 14.279 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 905 | HOH | 0 | 0.037 | 0.021 | 52.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 907 | HOH | 0 | -0.054 | -0.043 | 33.290 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 910 | HOH | 0 | -0.005 | -0.006 | 51.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 911 | HOH | 0 | 0.029 | 0.012 | 45.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 912 | HOH | 0 | -0.040 | -0.036 | 34.865 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 913 | HOH | 0 | 0.008 | -0.021 | 18.336 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 914 | HOH | 0 | -0.037 | -0.043 | 27.002 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 915 | HOH | 0 | 0.019 | 0.007 | 21.449 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 916 | HOH | 0 | -0.047 | -0.042 | 41.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 917 | HOH | 0 | -0.004 | -0.018 | 14.175 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 918 | HOH | 0 | 0.033 | 0.018 | 24.522 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 919 | HOH | 0 | 0.041 | 0.016 | 31.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 920 | HOH | 0 | -0.005 | -0.013 | 23.275 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 922 | HOH | 0 | 0.003 | 0.007 | 20.793 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 923 | HOH | 0 | -0.016 | -0.018 | 37.305 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 924 | HOH | 0 | -0.018 | -0.016 | 40.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 925 | HOH | 0 | -0.013 | -0.010 | 36.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 926 | HOH | 0 | -0.039 | -0.040 | 35.091 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 927 | HOH | 0 | -0.013 | -0.008 | 25.035 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 928 | HOH | 0 | 0.000 | -0.005 | 49.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 929 | HOH | 0 | -0.038 | -0.037 | 37.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 930 | HOH | 0 | -0.022 | -0.013 | 25.620 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 931 | HOH | 0 | -0.026 | -0.023 | 24.692 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 932 | HOH | 0 | 0.005 | -0.012 | 25.895 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 933 | HOH | 0 | -0.008 | -0.018 | 36.109 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 934 | HOH | 0 | -0.040 | -0.038 | 35.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 935 | HOH | 0 | -0.021 | -0.024 | 36.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 938 | HOH | 0 | -0.031 | -0.032 | 49.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 939 | HOH | 0 | -0.049 | -0.049 | 27.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 940 | HOH | 0 | -0.017 | -0.020 | 17.257 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 941 | HOH | 0 | -0.039 | -0.023 | 42.552 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 942 | HOH | 0 | -0.024 | -0.023 | 34.853 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 943 | HOH | 0 | -0.010 | -0.024 | 44.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 945 | HOH | 0 | -0.010 | -0.012 | 13.419 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 949 | HOH | 0 | -0.030 | -0.029 | 16.042 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 950 | HOH | 0 | 0.013 | -0.008 | 25.024 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 951 | HOH | 0 | 0.029 | 0.022 | 44.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 953 | HOH | 0 | -0.046 | -0.043 | 10.160 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 954 | HOH | 0 | -0.002 | -0.011 | 9.441 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 955 | HOH | 0 | -0.006 | -0.021 | 28.349 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 956 | HOH | 0 | -0.009 | -0.014 | 26.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 957 | HOH | 0 | -0.001 | 0.005 | 37.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 958 | HOH | 0 | 0.009 | -0.003 | 38.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 961 | HOH | 0 | 0.034 | 0.019 | 31.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 963 | HOH | 0 | 0.009 | -0.009 | 48.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 964 | HOH | 0 | -0.011 | -0.020 | 38.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 965 | HOH | 0 | 0.052 | 0.030 | 30.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 966 | HOH | 0 | 0.017 | 0.003 | 28.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 968 | HOH | 0 | -0.014 | -0.017 | 49.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 969 | HOH | 0 | 0.015 | 0.001 | 15.699 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 971 | HOH | 0 | -0.005 | -0.006 | 38.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 972 | HOH | 0 | -0.049 | -0.032 | 18.826 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 973 | HOH | 0 | -0.040 | -0.028 | 34.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 975 | HOH | 0 | 0.031 | 0.017 | 15.234 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 976 | HOH | 0 | -0.005 | -0.004 | 41.840 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 977 | HOH | 0 | 0.006 | -0.003 | 21.767 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 979 | HOH | 0 | 0.021 | -0.001 | 36.147 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 981 | HOH | 0 | -0.001 | -0.003 | 24.955 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 982 | HOH | 0 | 0.005 | -0.007 | 46.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 984 | HOH | 0 | -0.018 | -0.003 | 23.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 985 | HOH | 0 | 0.002 | -0.009 | 32.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 986 | HOH | 0 | -0.028 | -0.025 | 44.193 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 989 | HOH | 0 | 0.042 | 0.024 | 32.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 990 | HOH | 0 | -0.007 | -0.021 | 49.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 991 | HOH | 0 | -0.049 | -0.048 | 49.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 993 | HOH | 0 | 0.030 | 0.017 | 14.690 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 994 | HOH | 0 | -0.031 | -0.038 | 50.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 995 | HOH | 0 | -0.013 | -0.009 | 47.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 998 | HOH | 0 | 0.011 | -0.002 | 23.146 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 999 | HOH | 0 | -0.030 | -0.027 | 50.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 1001 | HOH | 0 | -0.030 | -0.021 | 27.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 1002 | HOH | 0 | -0.032 | -0.028 | 42.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 1003 | HOH | 0 | 0.016 | 0.004 | 24.062 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | B | 1004 | HOH | 0 | 0.009 | 0.003 | 40.782 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | B | 1005 | HOH | 0 | -0.012 | -0.008 | 22.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | B | 1006 | HOH | 0 | -0.029 | -0.028 | 16.123 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | B | 1007 | HOH | 0 | 0.006 | -0.002 | 42.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | B | 1008 | HOH | 0 | -0.029 | -0.012 | 37.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | B | 1010 | HOH | 0 | 0.045 | 0.036 | 20.512 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | B | 1011 | HOH | 0 | -0.004 | -0.002 | 47.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | B | 1013 | HOH | 0 | -0.005 | -0.012 | 34.801 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | B | 1014 | HOH | 0 | 0.011 | 0.009 | 47.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | B | 1015 | HOH | 0 | 0.006 | 0.002 | 25.152 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | B | 1018 | HOH | 0 | -0.015 | -0.017 | 12.226 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | B | 1019 | HOH | 0 | 0.003 | -0.008 | 37.169 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | B | 1020 | HOH | 0 | 0.005 | -0.032 | 14.138 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | B | 1023 | HOH | 0 | 0.021 | 0.006 | 38.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | B | 1024 | HOH | 0 | -0.018 | -0.018 | 34.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | B | 1025 | HOH | 0 | -0.036 | -0.029 | 46.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | B | 1027 | HOH | 0 | 0.023 | 0.004 | 23.797 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | B | 1028 | HOH | 0 | -0.019 | -0.021 | 54.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | B | 1030 | HOH | 0 | -0.026 | -0.024 | 30.139 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | B | 1034 | HOH | 0 | -0.025 | -0.016 | 30.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | B | 1035 | HOH | 0 | 0.006 | -0.012 | 28.745 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | B | 1036 | HOH | 0 | -0.009 | -0.008 | 49.313 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | B | 1037 | HOH | 0 | 0.015 | 0.006 | 11.856 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | B | 1038 | HOH | 0 | -0.005 | -0.004 | 30.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | B | 1040 | HOH | 0 | 0.016 | 0.005 | 47.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | B | 1041 | HOH | 0 | 0.000 | -0.001 | 39.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | B | 1042 | HOH | 0 | -0.006 | -0.011 | 21.263 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | B | 1043 | HOH | 0 | -0.011 | -0.009 | 33.607 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | B | 1044 | HOH | 0 | 0.014 | 0.007 | 31.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | B | 1045 | HOH | 0 | 0.000 | 0.000 | 25.559 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | B | 1047 | HOH | 0 | -0.053 | -0.041 | 14.389 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | B | 701 | VVG | 0 | -0.041 | -0.026 | 30.501 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |