FMODB ID: 2KVGR
Calculation Name: 5RLI-B-Xray89
Preferred Name:
Target Type:
Ligand Name: n-(2-phenylethyl)methanesulfonamide
ligand 3-letter code: JFM
PDB ID: 5RLI
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 | 738 |
LigandCharge | CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13454789.530005 |
---|---|
FMO2-HF: Nuclear repulsion | 13210053.354979 |
FMO2-HF: Total energy | -244736.175026 |
FMO2-MP2: Total energy | -245432.507498 |
3D Structure
Ligand structure
JFM
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. |
-26.739 | -33.473 | 23.829 | -9.309 | -7.788 | -0.003 |
Interactive mode: IFIE and PIEDA for fragment #701(B:976:HOH )
Summations of interaction energy for
fragment #701(B:976: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. |
-26.739 | -33.473 | 23.829 | -9.309 | -7.788 | 0.003 |
Interaction energy analysis for fragmet #701(B:976: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 | -0.022 | -0.030 | 32.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
2 | B | 3 | GLY | 0 | 0.030 | 0.024 | 33.159 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
3 | B | 4 | ALA | 0 | 0.007 | 0.010 | 33.339 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
4 | B | 5 | CYM | -1 | -0.813 | -0.782 | 32.637 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | 0.034 | 0.017 | 28.292 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | 0.001 | -0.029 | 31.622 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.024 | -0.006 | 34.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | -0.030 | -0.011 | 36.061 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | 0.028 | 0.001 | 37.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.031 | 0.017 | 37.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | THR | 0 | -0.030 | -0.006 | 34.898 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | SER | 0 | -0.012 | 0.003 | 35.377 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | LEU | 0 | 0.027 | 0.027 | 33.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ARG | 1 | 0.933 | 0.982 | 27.115 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | CYM | -1 | -0.813 | -0.698 | 26.881 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.011 | -0.022 | 25.065 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | 0.023 | -0.002 | 23.240 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | -0.011 | -0.091 | 22.178 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | -0.029 | -0.003 | 16.055 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.758 | 0.859 | 18.070 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.860 | 0.945 | 21.551 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.038 | 0.031 | 24.494 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.009 | -0.024 | 27.072 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | LEU | 0 | -0.024 | -0.012 | 29.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | 0.012 | -0.037 | 32.920 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | 0.008 | 0.001 | 36.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.833 | 0.949 | 38.600 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.068 | 0.016 | 34.476 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.055 | -0.011 | 33.260 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.046 | 0.019 | 33.873 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.806 | -0.907 | 36.082 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.792 | 0.853 | 27.373 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.001 | 0.008 | 30.992 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.019 | -0.010 | 32.632 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.062 | -0.029 | 33.418 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.057 | -0.024 | 28.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.038 | 0.008 | 25.563 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | 0.016 | -0.008 | 23.527 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.862 | 0.937 | 27.751 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.027 | 0.009 | 25.030 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.008 | -0.002 | 28.373 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.046 | -0.034 | 25.446 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | -0.004 | -0.019 | 30.146 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | -0.039 | -0.026 | 31.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | ASN | 0 | 0.012 | 0.026 | 32.719 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | 0.013 | -0.001 | 29.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.081 | -0.064 | 31.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.039 | 0.022 | 30.573 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYS | 0 | -0.038 | 0.021 | 33.085 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | -0.013 | -0.004 | 35.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.017 | 0.007 | 37.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | -0.001 | -0.019 | 36.662 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | 0.014 | 0.020 | 34.053 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.083 | -0.043 | 35.096 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.868 | -0.927 | 30.060 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | 0.011 | -0.011 | 30.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.043 | 0.005 | 28.025 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.766 | -0.831 | 31.083 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.084 | 0.029 | 32.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.084 | -0.079 | 34.695 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.098 | -0.037 | 35.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | 0.005 | 0.012 | 33.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.022 | -0.027 | 38.391 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.013 | 0.018 | 40.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | -0.018 | -0.027 | 42.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.027 | 0.014 | 44.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.029 | -0.029 | 43.273 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | 0.001 | 0.024 | 39.941 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | 0.012 | -0.007 | 35.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.048 | 0.026 | 38.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.009 | 0.026 | 37.416 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 0.998 | 0.974 | 39.332 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.019 | -0.025 | 40.912 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 0 | 0.054 | 0.005 | 39.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.824 | 0.953 | 42.734 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.059 | 0.047 | 44.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | 0.003 | -0.016 | 47.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.005 | 0.013 | 50.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.006 | -0.019 | 45.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | -0.026 | 0.008 | 43.685 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | -0.005 | 0.005 | 42.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | 0.005 | 0.003 | 36.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | 0.013 | 0.026 | 37.700 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.027 | 0.013 | 39.773 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | 0.013 | 0.015 | 43.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.018 | 0.020 | 42.018 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.005 | -0.005 | 40.471 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.025 | 0.012 | 35.500 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | 0.021 | -0.012 | 38.676 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.070 | 0.038 | 38.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | 0.006 | -0.009 | 39.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | TYR | 0 | 0.034 | 0.017 | 38.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | LYS | 1 | 0.883 | 0.939 | 42.541 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | 0.013 | 0.007 | 43.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.030 | -0.006 | 43.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.057 | -0.027 | 41.225 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.032 | 0.025 | 41.671 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.058 | -0.032 | 39.471 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.069 | -0.056 | 37.605 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.867 | -0.914 | 39.668 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | 0.050 | 0.024 | 37.445 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | -0.038 | 0.006 | 33.110 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.009 | -0.046 | 32.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.781 | -0.869 | 30.963 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | -0.012 | -0.019 | 27.867 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.069 | 0.032 | 27.778 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.052 | 0.055 | 26.937 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | -0.010 | 0.003 | 24.111 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.057 | -0.028 | 23.088 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.042 | -0.034 | 22.840 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.064 | 0.024 | 22.398 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.748 | -0.834 | 17.614 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | 0.029 | -0.001 | 17.122 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | -0.008 | -0.017 | 16.286 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | 0.007 | -0.003 | 18.795 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.045 | 0.016 | 22.537 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | 0.008 | -0.009 | 24.163 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.795 | -0.870 | 22.228 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | 0.012 | -0.025 | 17.799 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.001 | 0.013 | 24.205 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.047 | 0.053 | 27.303 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | -0.008 | -0.008 | 24.470 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | -0.025 | -0.025 | 25.321 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.070 | -0.045 | 28.846 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.024 | 0.026 | 29.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.015 | 0.008 | 32.168 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.645 | -0.789 | 31.605 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.841 | 0.889 | 30.390 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.011 | 0.008 | 28.882 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.832 | 0.928 | 27.262 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.001 | 0.007 | 25.733 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.036 | 0.017 | 24.388 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.038 | 0.014 | 23.261 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | -0.022 | 0.001 | 21.460 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.761 | -0.875 | 19.874 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.006 | -0.010 | 18.663 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.035 | 0.012 | 16.804 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.924 | 0.970 | 15.539 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.024 | -0.010 | 13.959 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | 0.004 | -0.007 | 13.140 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.738 | -0.794 | 11.685 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.771 | -0.876 | 9.478 | 1.317 | 1.317 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.037 | -0.036 | 8.262 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.005 | -0.001 | 8.300 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.793 | 0.899 | 4.682 | -2.309 | -2.273 | -0.001 | -0.002 | -0.034 | 0.000 |
146 | B | 147 | LEU | 0 | 0.009 | 0.006 | 3.242 | -2.167 | -1.692 | 0.018 | -0.246 | -0.246 | -0.002 |
147 | B | 148 | SER | 0 | -0.080 | -0.040 | 5.268 | -0.772 | -0.751 | -0.001 | -0.001 | -0.020 | 0.000 |
148 | B | 149 | TYR | 0 | 0.011 | 0.009 | 2.421 | -0.086 | 0.642 | 0.288 | -0.461 | -0.556 | 0.002 |
149 | B | 150 | GLY | 0 | 0.009 | 0.009 | 3.426 | -1.797 | -1.271 | 0.010 | -0.344 | -0.192 | -0.003 |
150 | B | 151 | ILE | 0 | -0.022 | -0.010 | 3.362 | -4.729 | -3.808 | 0.021 | -0.595 | -0.346 | -0.004 |
151 | B | 152 | ALA | 0 | -0.021 | 0.002 | 4.626 | 0.400 | 0.424 | -0.001 | -0.001 | -0.022 | 0.000 |
152 | B | 153 | THR | 0 | 0.011 | -0.003 | 6.422 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | -0.020 | 0.004 | 9.851 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.898 | 0.944 | 12.894 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.860 | -0.945 | 15.590 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.038 | -0.026 | 16.995 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | -0.027 | -0.004 | 18.662 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.020 | 0.014 | 20.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.812 | -0.911 | 20.432 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.785 | 0.890 | 17.246 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.860 | -0.958 | 17.122 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.034 | -0.008 | 12.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.036 | 0.039 | 15.323 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.015 | 0.003 | 8.359 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | 0.017 | -0.001 | 11.250 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.040 | -0.041 | 4.363 | 0.045 | 0.069 | -0.001 | -0.003 | -0.020 | 0.000 |
167 | B | 168 | GLU | -1 | -0.758 | -0.844 | 6.634 | -2.054 | -2.054 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.000 | -0.003 | 9.212 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.011 | 0.001 | 11.648 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.841 | 0.924 | 6.275 | 2.071 | 2.071 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | -0.016 | 0.011 | 7.701 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.975 | 0.986 | 6.154 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.013 | 0.023 | 3.636 | 0.228 | 0.351 | 0.001 | -0.048 | -0.076 | 0.000 |
174 | B | 175 | PRO | 0 | -0.025 | -0.017 | 6.627 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.030 | -0.003 | 7.746 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.029 | -0.002 | 10.335 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.807 | 0.861 | 11.355 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.010 | 0.005 | 12.505 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | -0.024 | -0.018 | 6.926 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.009 | 0.003 | 8.628 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.050 | -0.033 | 3.566 | 0.779 | 0.939 | 0.002 | -0.050 | -0.112 | 0.000 |
182 | B | 183 | THR | 0 | 0.014 | 0.016 | 6.160 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.022 | 0.008 | 7.297 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.011 | -0.015 | 7.477 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.858 | 0.916 | 11.645 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | 0.002 | -0.016 | 13.948 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.074 | -0.047 | 16.049 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.986 | 0.975 | 19.164 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.019 | 0.001 | 21.082 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.038 | 0.032 | 17.050 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.915 | 0.988 | 10.785 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.015 | 0.014 | 15.001 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.026 | 0.011 | 11.212 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.018 | 0.006 | 12.625 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.046 | 0.022 | 14.088 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.836 | -0.903 | 10.259 | 1.603 | 1.603 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.045 | -0.030 | 9.538 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | 0.015 | 0.024 | 9.722 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | 0.004 | -0.007 | 6.826 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.765 | -0.823 | 11.352 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.839 | 0.907 | 14.094 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.090 | 0.054 | 15.567 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.058 | -0.017 | 18.489 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | 0.012 | -0.006 | 13.338 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | -0.015 | -0.026 | 14.208 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.092 | -0.045 | 11.239 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.049 | 0.041 | 14.426 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | 0.030 | 0.021 | 13.079 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.838 | 0.918 | 13.969 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.017 | 0.001 | 14.030 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | 0.000 | 0.004 | 14.011 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.043 | 0.013 | 15.325 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.057 | -0.012 | 17.392 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.048 | 0.003 | 17.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.927 | 0.968 | 19.470 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | -0.011 | 0.013 | 13.842 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | -0.016 | 0.001 | 16.813 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.050 | 0.002 | 15.910 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.025 | -0.008 | 14.437 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.785 | -0.870 | 12.402 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | 0.002 | 0.002 | 7.103 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.038 | -0.023 | 5.988 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | 0.002 | -0.016 | 2.479 | -4.221 | -3.001 | 2.024 | -1.581 | -1.664 | 0.015 |
224 | B | 227 | LEU | 0 | 0.016 | 0.015 | 1.904 | -8.369 | -11.427 | 8.108 | -2.257 | -2.793 | 0.031 |
225 | B | 228 | THR | 0 | 0.013 | -0.008 | 3.893 | -1.019 | -0.875 | 0.005 | -0.034 | -0.114 | 0.001 |
226 | B | 229 | SER | 0 | -0.021 | -0.005 | 7.110 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | -0.014 | 0.001 | 8.522 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.005 | -0.012 | 12.288 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.017 | 0.013 | 14.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.045 | 0.021 | 17.107 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | 0.007 | 0.014 | 20.802 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.041 | -0.008 | 23.115 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.061 | -0.047 | 25.852 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | -0.010 | 0.015 | 29.631 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.025 | 0.029 | 29.703 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.022 | -0.027 | 27.673 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.016 | -0.005 | 30.056 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.018 | 0.025 | 33.586 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.029 | 0.006 | 36.456 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.027 | -0.005 | 39.760 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.842 | -0.876 | 41.421 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | -0.001 | 0.002 | 44.275 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.068 | -0.049 | 44.682 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.013 | 0.007 | 49.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.921 | 0.943 | 52.036 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | -0.006 | -0.001 | 48.214 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | -0.010 | 0.006 | 47.521 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.023 | -0.005 | 46.917 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.017 | 0.018 | 43.584 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.009 | 0.001 | 47.744 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | -0.011 | 0.003 | 49.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.008 | 0.003 | 50.074 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.001 | 0.000 | 51.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.030 | -0.005 | 54.314 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | -0.009 | -0.003 | 47.319 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.033 | 0.025 | 48.447 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.883 | -0.955 | 49.762 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.746 | -0.840 | 45.416 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.038 | -0.018 | 41.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.019 | 0.022 | 46.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | 0.022 | 0.018 | 45.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.004 | 0.011 | 42.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.054 | 0.041 | 45.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.038 | 0.024 | 48.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.019 | -0.017 | 43.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.024 | 0.000 | 41.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.034 | 0.047 | 45.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.912 | 0.951 | 43.753 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.006 | 0.005 | 40.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.044 | 0.026 | 43.132 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.046 | -0.012 | 45.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | -0.002 | -0.008 | 41.560 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.857 | 0.950 | 39.662 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | 0.013 | 0.000 | 36.814 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | -0.006 | 0.010 | 38.180 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.004 | -0.011 | 35.077 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.004 | -0.008 | 35.880 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | 0.016 | -0.022 | 34.852 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.002 | -0.018 | 34.693 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | -0.001 | 0.025 | 34.122 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.010 | 0.006 | 32.457 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.059 | 0.034 | 34.466 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.030 | -0.029 | 36.810 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | 0.026 | 0.018 | 37.209 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.888 | 0.945 | 31.193 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.068 | 0.020 | 33.239 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.029 | -0.024 | 35.169 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.022 | 0.004 | 38.219 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.037 | 0.020 | 35.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.006 | 0.013 | 35.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.067 | 0.019 | 38.894 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.042 | -0.014 | 39.132 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.007 | -0.003 | 40.298 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | -0.034 | -0.013 | 42.284 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.031 | -0.016 | 45.109 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | 0.000 | -0.030 | 43.972 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.058 | 0.057 | 45.141 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.001 | 0.009 | 46.045 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.063 | -0.024 | 42.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.839 | 0.914 | 35.922 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.033 | -0.015 | 36.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.013 | 0.013 | 31.475 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.032 | -0.036 | 31.904 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.016 | -0.031 | 26.982 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.031 | 0.008 | 25.643 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.053 | -0.012 | 20.476 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | 0.022 | 0.024 | 20.218 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.136 | 0.056 | 18.903 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.024 | 0.024 | 21.912 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.012 | 0.011 | 23.781 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.031 | 0.009 | 25.255 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.730 | -0.856 | 25.497 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | 0.011 | 0.022 | 27.909 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.036 | -0.020 | 29.883 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.037 | -0.010 | 29.897 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.783 | -0.877 | 31.216 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.802 | 0.924 | 33.666 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.031 | 0.005 | 35.443 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.024 | 0.003 | 35.545 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.861 | 0.943 | 37.924 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.116 | -0.092 | 40.127 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.008 | 0.005 | 38.486 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.011 | 0.004 | 41.470 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.083 | 0.040 | 37.841 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.876 | -0.927 | 39.026 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.863 | 0.915 | 40.919 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.053 | -0.014 | 35.872 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.052 | -0.031 | 33.302 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.805 | 0.891 | 23.797 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.020 | -0.019 | 26.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.014 | -0.003 | 23.599 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.018 | 0.005 | 20.608 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.023 | 0.005 | 22.234 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | 0.001 | 0.006 | 18.626 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | 0.007 | -0.006 | 16.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.032 | -0.037 | 16.062 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.972 | -0.961 | 18.611 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.063 | -0.033 | 22.329 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.007 | -0.013 | 24.613 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.897 | -0.932 | 28.425 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.887 | 0.929 | 30.362 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.039 | -0.016 | 32.837 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.875 | 0.936 | 33.246 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.052 | 0.026 | 28.659 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.077 | -0.044 | 27.021 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.002 | -0.012 | 30.948 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.056 | -0.001 | 32.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.021 | -0.015 | 34.301 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.801 | -0.846 | 36.829 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.081 | -0.054 | 37.941 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | 0.033 | 0.009 | 36.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.001 | 0.010 | 31.460 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.035 | 0.011 | 30.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.005 | 0.002 | 26.086 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.013 | 0.031 | 21.606 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.042 | 0.012 | 22.707 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.021 | -0.002 | 17.517 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | 0.006 | 0.008 | 21.205 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.005 | 0.002 | 23.462 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | -0.001 | 0.005 | 26.870 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.876 | -0.923 | 29.472 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.010 | -0.009 | 31.893 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | -0.003 | 0.006 | 34.874 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | 0.014 | 0.010 | 36.493 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.796 | -0.868 | 38.519 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.027 | -0.034 | 37.779 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.030 | 0.029 | 32.403 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.019 | -0.005 | 33.196 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.018 | 0.003 | 25.144 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.759 | -0.842 | 29.364 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.774 | -0.840 | 24.176 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.021 | 0.002 | 25.937 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.020 | 0.005 | 25.730 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.004 | 0.028 | 19.718 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | -0.014 | 0.011 | 21.521 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.012 | -0.005 | 19.102 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.030 | -0.023 | 22.531 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | -0.024 | -0.022 | 20.207 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.759 | -0.866 | 20.559 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.077 | -0.018 | 23.374 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.014 | 0.010 | 25.723 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.027 | 0.013 | 22.547 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.000 | 0.000 | 25.990 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.058 | -0.023 | 28.557 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.039 | -0.011 | 28.304 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.793 | 0.888 | 26.833 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.018 | 0.003 | 30.203 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.967 | 1.018 | 33.084 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.035 | -0.003 | 36.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.715 | 0.857 | 38.460 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.814 | 0.895 | 40.115 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | -0.005 | -0.007 | 33.748 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.006 | 0.010 | 35.769 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | -0.006 | -0.005 | 30.615 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.014 | 0.004 | 32.275 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.053 | 0.013 | 30.525 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.696 | -0.814 | 30.194 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.009 | 0.017 | 29.804 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | 0.043 | 0.030 | 30.250 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.079 | -0.054 | 27.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.008 | 0.014 | 22.888 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | 0.013 | 0.026 | 21.873 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.044 | 0.012 | 18.247 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.023 | -0.014 | 14.903 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.816 | 0.922 | 16.204 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.019 | -0.016 | 10.727 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | -0.009 | 0.002 | 11.861 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.080 | -0.015 | 14.373 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.028 | -0.024 | 15.840 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.836 | 0.927 | 18.737 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.045 | 0.022 | 22.440 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | -0.006 | 0.000 | 23.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | 0.031 | 0.032 | 22.340 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.882 | -0.949 | 25.400 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.035 | 0.009 | 28.285 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.861 | -0.886 | 29.404 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | 0.000 | -0.023 | 27.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.046 | 0.007 | 24.981 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.058 | 0.011 | 24.821 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.054 | -0.001 | 27.176 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | 0.001 | 0.015 | 29.976 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.094 | -0.046 | 28.732 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.901 | 0.943 | 31.061 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.007 | 0.015 | 32.754 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.056 | -0.021 | 32.502 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.870 | 0.933 | 32.990 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.064 | -0.035 | 36.018 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.008 | -0.003 | 38.399 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.048 | 0.040 | 39.285 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.053 | -0.032 | 37.429 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.748 | -0.804 | 39.171 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.086 | -0.020 | 39.851 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.034 | 0.021 | 38.831 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.045 | 0.004 | 37.709 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.072 | 0.018 | 40.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | -0.004 | 0.014 | 42.919 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.046 | -0.013 | 38.069 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.929 | 0.952 | 40.486 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.760 | 0.876 | 31.629 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.058 | -0.014 | 36.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.050 | 0.043 | 39.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.068 | 0.016 | 41.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.723 | -0.843 | 42.651 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.021 | 0.001 | 37.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.019 | -0.015 | 39.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.791 | -0.893 | 41.044 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.047 | -0.026 | 38.046 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.025 | 0.004 | 35.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.059 | -0.037 | 38.035 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | -0.001 | 0.004 | 40.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.078 | -0.014 | 34.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | 0.005 | -0.006 | 33.500 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.043 | -0.039 | 33.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.812 | -0.908 | 39.371 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.017 | -0.008 | 42.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.901 | 0.958 | 40.684 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.060 | -0.016 | 38.484 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.902 | 0.951 | 42.517 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | 0.010 | 0.006 | 43.883 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.027 | 0.022 | 44.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.801 | 0.905 | 41.108 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.731 | -0.812 | 46.282 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.876 | 0.945 | 46.254 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.051 | -0.034 | 42.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.042 | -0.008 | 45.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | 0.002 | 0.006 | 42.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.024 | 0.015 | 40.600 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.031 | 0.017 | 40.138 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.806 | 0.905 | 38.665 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.004 | 0.011 | 38.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | -0.003 | 0.009 | 37.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.062 | 0.015 | 35.165 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.860 | 0.932 | 34.019 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.024 | 0.035 | 32.709 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.014 | -0.002 | 30.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | 0.016 | 0.029 | 25.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.042 | -0.014 | 24.948 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.037 | 0.009 | 21.119 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.747 | -0.824 | 17.170 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.005 | -0.018 | 13.134 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | -0.020 | -0.002 | 13.377 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.039 | -0.019 | 15.457 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.052 | 0.037 | 18.289 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.050 | -0.030 | 21.361 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | -0.014 | -0.040 | 24.451 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.979 | 0.976 | 24.884 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.008 | 0.016 | 29.832 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.048 | 0.017 | 30.631 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.016 | 0.006 | 26.860 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.037 | -0.024 | 31.539 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.053 | 0.022 | 34.742 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | 0.000 | 0.007 | 32.775 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.954 | 0.966 | 34.629 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.844 | -0.904 | 36.182 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.001 | 0.002 | 38.206 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | 0.020 | 0.004 | 34.577 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.050 | -0.021 | 39.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.926 | 0.955 | 41.876 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.052 | -0.011 | 41.568 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.036 | 0.008 | 41.032 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.027 | 0.016 | 40.816 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | -0.026 | -0.036 | 37.315 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.903 | 0.955 | 36.286 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.882 | 0.980 | 35.414 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.006 | 0.003 | 34.121 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | -0.001 | 0.005 | 28.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | -0.003 | -0.012 | 26.153 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | -0.001 | -0.017 | 25.916 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.006 | -0.015 | 24.010 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.014 | -0.011 | 23.295 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | 0.031 | 0.024 | 19.758 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.006 | -0.012 | 14.755 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | -0.040 | -0.047 | 18.077 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.062 | 0.033 | 19.715 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.025 | 0.000 | 21.237 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.023 | 0.018 | 19.582 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.045 | -0.030 | 21.732 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.034 | 0.008 | 24.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.021 | 0.010 | 24.139 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.941 | 0.974 | 22.178 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.044 | -0.020 | 27.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.056 | -0.029 | 29.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.010 | 0.019 | 29.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.035 | 0.003 | 29.894 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.017 | 0.032 | 27.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | 0.001 | 0.003 | 23.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | -0.011 | 0.011 | 22.600 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | 0.013 | 0.010 | 18.789 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.039 | 0.021 | 22.046 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.746 | -0.816 | 19.780 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.021 | -0.018 | 19.679 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.025 | -0.009 | 21.418 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.051 | 0.015 | 24.124 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | 0.000 | 0.006 | 25.359 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.035 | -0.023 | 26.488 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.850 | -0.908 | 29.088 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.076 | 0.022 | 27.214 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.785 | -0.847 | 33.691 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.004 | -0.017 | 35.846 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.014 | 0.023 | 31.052 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.031 | 0.008 | 32.086 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.024 | 0.000 | 27.403 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.025 | 0.026 | 27.990 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.091 | 0.041 | 28.078 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.049 | -0.024 | 24.662 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.005 | -0.008 | 25.098 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.787 | -0.835 | 28.018 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | -0.003 | 0.009 | 24.064 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.121 | 0.058 | 25.216 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.007 | 0.015 | 20.139 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.004 | -0.025 | 24.111 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.045 | 0.015 | 26.445 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | 0.008 | 0.025 | 26.106 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.081 | 0.023 | 28.158 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | 0.008 | 0.011 | 27.516 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.762 | 0.864 | 21.402 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.069 | 0.018 | 27.068 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.009 | -0.024 | 30.408 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.030 | 0.011 | 26.306 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.033 | -0.006 | 28.472 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.017 | -0.011 | 29.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.004 | -0.017 | 32.561 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.813 | 0.906 | 28.271 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.031 | 0.025 | 32.298 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.809 | 0.899 | 35.581 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.036 | -0.015 | 38.538 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.060 | 0.036 | 39.084 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.026 | -0.024 | 33.579 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.002 | 0.015 | 35.925 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.033 | 0.000 | 34.235 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | 0.004 | 0.002 | 33.180 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.046 | -0.013 | 32.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.032 | -0.001 | 30.361 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.733 | -0.830 | 32.773 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.828 | 0.895 | 34.610 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.772 | -0.831 | 36.336 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | 0.012 | -0.014 | 32.118 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | -0.011 | -0.008 | 36.405 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.766 | -0.858 | 38.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.801 | 0.891 | 37.304 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.052 | -0.007 | 36.309 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | 0.001 | 0.018 | 40.118 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.005 | -0.023 | 37.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.055 | 0.036 | 43.093 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | 0.007 | 0.000 | 43.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.066 | -0.038 | 41.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.849 | -0.914 | 43.410 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.117 | -0.076 | 40.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.917 | -0.954 | 41.648 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 803 | HOH | 0 | 0.007 | -0.004 | 20.337 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 804 | HOH | 0 | -0.017 | -0.021 | 22.231 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 805 | HOH | 0 | -0.042 | -0.046 | 34.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 806 | HOH | 0 | 0.040 | 0.028 | 31.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 808 | HOH | 0 | -0.026 | -0.038 | 31.692 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 809 | HOH | 0 | 0.020 | 0.004 | 26.715 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 811 | HOH | 0 | -0.026 | -0.029 | 46.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 812 | HOH | 0 | -0.017 | -0.030 | 33.147 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 814 | HOH | 0 | -0.059 | -0.056 | 20.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 817 | HOH | 0 | -0.026 | -0.046 | 21.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 819 | HOH | 0 | -0.021 | -0.038 | 15.455 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 820 | HOH | 0 | -0.026 | -0.030 | 25.217 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 821 | HOH | 0 | -0.054 | -0.047 | 28.270 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 822 | HOH | 0 | -0.040 | -0.036 | 32.916 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 824 | HOH | 0 | -0.005 | -0.022 | 35.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 825 | HOH | 0 | 0.022 | 0.000 | 21.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 827 | HOH | 0 | 0.013 | -0.001 | 12.845 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 828 | HOH | 0 | -0.027 | -0.019 | 40.987 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 829 | HOH | 0 | 0.013 | -0.005 | 46.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 830 | HOH | 0 | 0.013 | -0.011 | 23.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 831 | HOH | 0 | -0.005 | -0.029 | 42.753 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 834 | HOH | 0 | -0.041 | -0.036 | 16.572 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 835 | HOH | 0 | -0.009 | -0.014 | 37.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 836 | HOH | 0 | -0.014 | -0.011 | 29.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 838 | HOH | 0 | -0.036 | -0.025 | 1.742 | -5.795 | -13.883 | 13.356 | -3.685 | -1.583 | -0.037 |
615 | B | 841 | HOH | 0 | 0.000 | -0.003 | 39.878 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 842 | HOH | 0 | 0.003 | -0.008 | 31.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 843 | HOH | 0 | -0.015 | -0.022 | 35.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 844 | HOH | 0 | -0.014 | -0.027 | 13.120 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 845 | HOH | 0 | -0.003 | -0.024 | 23.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 846 | HOH | 0 | -0.018 | -0.019 | 18.838 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 848 | HOH | 0 | 0.035 | 0.019 | 27.816 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 849 | HOH | 0 | -0.036 | -0.031 | 33.676 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 851 | HOH | 0 | -0.024 | -0.029 | 42.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 852 | HOH | 0 | -0.023 | -0.026 | 19.732 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 853 | HOH | 0 | -0.030 | -0.033 | 42.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 854 | HOH | 0 | -0.036 | -0.035 | 34.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 856 | HOH | 0 | -0.030 | -0.027 | 48.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 857 | HOH | 0 | -0.074 | -0.051 | 28.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 858 | HOH | 0 | -0.008 | -0.021 | 45.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 859 | HOH | 0 | -0.016 | -0.006 | 31.932 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 860 | HOH | 0 | 0.006 | -0.001 | 44.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 862 | HOH | 0 | 0.003 | -0.010 | 27.694 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 863 | HOH | 0 | -0.022 | -0.025 | 38.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 864 | HOH | 0 | -0.016 | -0.015 | 36.156 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 865 | HOH | 0 | 0.037 | 0.016 | 20.545 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 870 | HOH | 0 | -0.003 | -0.026 | 33.734 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 872 | HOH | 0 | -0.024 | -0.016 | 24.358 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 873 | HOH | 0 | 0.004 | -0.006 | 37.535 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 875 | HOH | 0 | -0.047 | -0.036 | 44.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 876 | HOH | 0 | -0.069 | -0.058 | 35.457 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 878 | HOH | 0 | -0.008 | -0.014 | 35.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 879 | HOH | 0 | 0.005 | -0.007 | 27.779 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 881 | HOH | 0 | 0.013 | 0.006 | 24.654 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 882 | HOH | 0 | -0.007 | -0.024 | 16.738 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 883 | HOH | 0 | -0.008 | -0.007 | 32.584 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 884 | HOH | 0 | 0.003 | -0.003 | 45.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 890 | HOH | 0 | -0.034 | -0.023 | 25.386 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 892 | HOH | 0 | -0.016 | -0.019 | 23.372 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 893 | HOH | 0 | 0.026 | 0.019 | 26.434 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 894 | HOH | 0 | -0.041 | -0.039 | 4.276 | 0.734 | 0.744 | 0.000 | -0.001 | -0.010 | 0.000 |
651 | B | 895 | HOH | 0 | -0.044 | -0.049 | 49.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 896 | HOH | 0 | 0.002 | -0.003 | 33.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 899 | HOH | 0 | 0.005 | 0.002 | 47.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 901 | HOH | 0 | -0.016 | -0.020 | 30.151 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 903 | HOH | 0 | -0.013 | -0.026 | 29.671 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 904 | HOH | 0 | -0.015 | -0.025 | 47.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 905 | HOH | 0 | -0.006 | -0.017 | 25.355 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 906 | HOH | 0 | 0.015 | -0.005 | 24.854 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 907 | HOH | 0 | -0.021 | -0.026 | 40.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 908 | HOH | 0 | 0.012 | 0.001 | 20.499 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 910 | HOH | 0 | -0.012 | -0.004 | 37.492 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 911 | HOH | 0 | -0.013 | -0.026 | 28.352 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 913 | HOH | 0 | -0.040 | -0.030 | 51.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 914 | HOH | 0 | -0.030 | -0.043 | 33.501 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 915 | HOH | 0 | 0.035 | 0.019 | 29.951 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 916 | HOH | 0 | -0.014 | -0.017 | 23.818 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 919 | HOH | 0 | -0.002 | -0.012 | 22.713 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 920 | HOH | 0 | -0.023 | -0.035 | 14.901 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 923 | HOH | 0 | -0.017 | -0.020 | 47.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 924 | HOH | 0 | -0.038 | -0.034 | 23.324 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 926 | HOH | 0 | 0.000 | -0.004 | 31.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 927 | HOH | 0 | 0.014 | 0.004 | 26.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 931 | HOH | 0 | -0.027 | -0.022 | 40.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 932 | HOH | 0 | -0.001 | -0.013 | 16.695 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 935 | HOH | 0 | 0.011 | -0.004 | 22.648 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 936 | HOH | 0 | -0.039 | -0.027 | 52.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 939 | HOH | 0 | 0.012 | 0.009 | 25.638 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 940 | HOH | 0 | -0.047 | -0.031 | 44.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 942 | HOH | 0 | 0.011 | 0.004 | 44.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 943 | HOH | 0 | 0.010 | 0.002 | 41.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 944 | HOH | 0 | -0.049 | -0.046 | 36.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 945 | HOH | 0 | -0.035 | -0.031 | 35.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 947 | HOH | 0 | -0.031 | -0.032 | 32.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 948 | HOH | 0 | -0.008 | -0.019 | 21.696 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 950 | HOH | 0 | -0.047 | -0.047 | 25.215 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 951 | HOH | 0 | 0.022 | 0.005 | 34.662 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 952 | HOH | 0 | -0.056 | -0.050 | 45.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 953 | HOH | 0 | -0.045 | -0.032 | 49.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 956 | HOH | 0 | -0.015 | -0.025 | 31.799 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 957 | HOH | 0 | 0.028 | 0.015 | 26.602 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 958 | HOH | 0 | 0.004 | -0.001 | 26.488 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 962 | HOH | 0 | -0.020 | -0.025 | 38.404 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 964 | HOH | 0 | 0.006 | -0.004 | 19.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 965 | HOH | 0 | -0.016 | -0.012 | 31.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 967 | HOH | 0 | -0.032 | -0.021 | 20.192 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 969 | HOH | 0 | -0.008 | -0.013 | 20.203 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 971 | HOH | 0 | 0.002 | -0.009 | 43.620 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 972 | HOH | 0 | 0.015 | 0.006 | 43.183 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 973 | HOH | 0 | -0.029 | -0.019 | 34.266 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 974 | HOH | 0 | 0.001 | -0.003 | 26.723 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 977 | HOH | 0 | 0.005 | 0.010 | 42.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 978 | HOH | 0 | 0.009 | -0.007 | 29.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 980 | HOH | 0 | -0.003 | -0.017 | 35.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 981 | HOH | 0 | -0.034 | -0.027 | 35.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 983 | HOH | 0 | -0.047 | -0.048 | 50.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 984 | HOH | 0 | -0.004 | -0.009 | 39.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 985 | HOH | 0 | -0.046 | -0.019 | 42.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 988 | HOH | 0 | 0.022 | 0.018 | 29.803 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 989 | HOH | 0 | -0.021 | -0.020 | 39.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 991 | HOH | 0 | 0.030 | 0.017 | 26.831 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 997 | HOH | 0 | 0.005 | -0.008 | 53.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 998 | HOH | 0 | -0.021 | -0.019 | 22.911 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 1000 | HOH | 0 | -0.003 | -0.004 | 20.113 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 1002 | HOH | 0 | -0.016 | -0.020 | 21.869 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 1004 | HOH | 0 | -0.020 | -0.020 | 30.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 1005 | HOH | 0 | 0.053 | 0.033 | 57.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 1006 | HOH | 0 | -0.016 | -0.016 | 43.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 1007 | HOH | 0 | 0.007 | -0.001 | 42.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 1008 | HOH | 0 | -0.001 | -0.004 | 36.933 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 1009 | HOH | 0 | -0.026 | -0.020 | 27.704 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 1011 | HOH | 0 | 0.007 | -0.001 | 40.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 1013 | HOH | 0 | 0.009 | 0.003 | 28.034 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 1014 | HOH | 0 | 0.024 | -0.001 | 21.133 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 1019 | HOH | 0 | 0.001 | -0.008 | 25.387 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 1025 | HOH | 0 | -0.026 | -0.025 | 49.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 1026 | HOH | 0 | -0.038 | -0.025 | 21.060 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 1027 | HOH | 0 | -0.032 | -0.019 | 32.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 1028 | HOH | 0 | 0.033 | 0.023 | 18.951 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 1029 | HOH | 0 | 0.014 | 0.007 | 52.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 1033 | HOH | 0 | -0.006 | -0.025 | 28.579 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 1034 | HOH | 0 | -0.031 | -0.037 | 47.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 1037 | HOH | 0 | -0.007 | -0.015 | 23.037 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 1038 | HOH | 0 | 0.017 | 0.011 | 20.131 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 1040 | HOH | 0 | 0.037 | 0.028 | 29.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 1043 | HOH | 0 | 0.018 | 0.005 | 40.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 1046 | HOH | 0 | -0.012 | -0.012 | 16.921 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | B | 701 | JFM | 0 | 0.018 | 0.034 | 33.945 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |