FMODB ID: V23Z1
Calculation Name: 5RLW-B-Xray89
Preferred Name:
Target Type:
Ligand Name: ~{n}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
ligand 3-letter code: S9S
PDB ID: 5RLW
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 | 730 |
LigandCharge | CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13389613.276179 |
---|---|
FMO2-HF: Nuclear repulsion | 13145384.524045 |
FMO2-HF: Total energy | -244228.752134 |
FMO2-MP2: Total energy | -244923.00811 |
3D Structure
Ligand structure
S9S
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. |
-21.840 | -24.474 | 12.408 | -5.008 | -4.772 | 0.005 |
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. |
-21.84 | -24.474 | 12.408 | -5.008 | -4.772 | -0.005 |
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 | -0.032 | -0.051 | 34.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
2 | B | 3 | GLY | 0 | 0.004 | 0.013 | 32.371 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
3 | B | 4 | ALA | 0 | 0.023 | 0.018 | 30.418 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
4 | B | 5 | CYM | -1 | -0.871 | -0.818 | 26.936 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | -0.003 | -0.015 | 22.103 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | -0.009 | -0.030 | 20.216 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.045 | -0.012 | 23.870 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | 0.012 | 0.006 | 27.465 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | 0.026 | 0.007 | 29.561 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.038 | 0.020 | 31.498 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | THR | 0 | -0.032 | -0.009 | 31.307 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | SER | 0 | 0.004 | 0.017 | 33.570 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | LEU | 0 | -0.009 | 0.002 | 30.511 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ARG | 1 | 0.924 | 0.972 | 27.978 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | CYS | 0 | -0.061 | -0.003 | 23.501 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.034 | -0.012 | 25.121 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | 0.002 | 0.003 | 21.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | -0.064 | -0.011 | 20.088 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | 0.020 | 0.008 | 18.240 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.750 | 0.856 | 20.126 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.879 | 0.952 | 22.603 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.027 | 0.031 | 21.577 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.038 | 0.010 | 24.611 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | LEU | 0 | -0.010 | -0.004 | 22.995 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | -0.016 | -0.063 | 27.120 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.003 | -0.014 | 29.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.846 | 0.906 | 27.669 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.053 | 0.013 | 24.854 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.050 | -0.008 | 24.880 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.038 | 0.025 | 25.840 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.776 | -0.878 | 23.714 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 1 | 0.825 | 0.933 | 18.774 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.023 | -0.010 | 21.766 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.025 | -0.018 | 23.832 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.037 | -0.022 | 19.612 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.023 | -0.007 | 17.171 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | 0.012 | 0.005 | 18.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | 0.035 | 0.002 | 18.160 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.914 | 0.962 | 22.093 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.014 | 0.020 | 25.657 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.002 | -0.007 | 26.896 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.032 | -0.020 | 28.749 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | 0.024 | -0.005 | 31.322 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | -0.030 | -0.022 | 34.302 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | ASN | 0 | 0.022 | 0.022 | 37.315 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | -0.011 | -0.009 | 33.518 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.078 | -0.054 | 32.535 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.043 | 0.013 | 33.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYM | -1 | -0.817 | -0.821 | 35.293 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | 0.031 | 0.007 | 38.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | -0.013 | -0.005 | 41.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | 0.017 | -0.011 | 41.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | -0.006 | 0.002 | 41.267 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.123 | -0.057 | 38.914 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.860 | -0.926 | 34.234 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | -0.005 | -0.020 | 33.478 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.027 | -0.006 | 30.193 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.833 | -0.888 | 28.281 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.059 | 0.011 | 28.634 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.060 | -0.062 | 28.308 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.081 | -0.036 | 31.214 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.010 | 0.005 | 33.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | -0.002 | -0.014 | 36.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.024 | 0.027 | 39.130 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | -0.028 | -0.031 | 41.283 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.016 | 0.008 | 44.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.015 | -0.019 | 45.228 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | -0.015 | 0.010 | 42.773 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | -0.006 | -0.014 | 38.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.068 | 0.021 | 40.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | 0.000 | -0.006 | 37.288 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 0.983 | 0.967 | 37.295 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | 0.003 | -0.011 | 40.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 1 | 0.864 | 0.917 | 40.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.892 | 0.987 | 41.666 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.042 | 0.040 | 44.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | 0.006 | -0.014 | 46.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.005 | 0.005 | 48.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | 0.006 | -0.007 | 43.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | -0.022 | 0.008 | 39.853 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | -0.009 | 0.001 | 36.591 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | -0.014 | -0.005 | 34.720 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | 0.012 | 0.020 | 30.472 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.024 | 0.022 | 33.179 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | -0.004 | 0.001 | 34.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.018 | 0.017 | 30.942 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.005 | -0.012 | 31.046 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.022 | 0.020 | 29.373 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | 0.000 | -0.014 | 32.499 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.081 | 0.030 | 35.317 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | -0.005 | 0.003 | 35.983 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | TYR | 0 | 0.010 | 0.003 | 36.162 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | LYS | 1 | 0.942 | 0.956 | 36.290 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | 0.005 | 0.006 | 37.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.010 | 0.006 | 36.782 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.052 | -0.016 | 32.701 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.043 | 0.014 | 30.935 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.011 | -0.008 | 28.067 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.041 | -0.046 | 23.301 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.854 | -0.910 | 23.340 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | -0.038 | -0.029 | 18.953 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | -0.013 | 0.005 | 19.200 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.015 | -0.008 | 14.295 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.761 | -0.857 | 13.574 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | -0.006 | -0.012 | 14.108 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.021 | 0.002 | 16.052 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.028 | 0.029 | 10.383 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | 0.011 | 0.015 | 11.534 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.029 | -0.016 | 13.036 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.058 | -0.045 | 13.678 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | 0.009 | 0.050 | 8.660 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.810 | -0.877 | 8.315 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.023 | -0.022 | 8.649 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | 0.011 | -0.003 | 7.673 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.009 | -0.010 | 2.167 | -2.747 | -2.576 | 1.202 | -0.502 | -0.872 | 0.004 |
116 | B | 117 | ALA | 0 | 0.047 | 0.013 | 3.295 | 0.117 | 0.857 | 0.160 | -0.421 | -0.480 | 0.002 |
117 | B | 118 | GLY | 0 | 0.013 | 0.000 | 2.126 | -7.590 | -7.714 | 3.209 | -1.502 | -1.584 | 0.020 |
118 | B | 119 | ASP | -1 | -0.813 | -0.896 | 3.648 | -0.746 | -0.624 | 0.052 | 0.041 | -0.216 | 0.002 |
119 | B | 120 | TYR | 0 | 0.002 | -0.028 | 6.437 | -1.168 | -1.168 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | -0.002 | 0.008 | 4.992 | -0.562 | -0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.025 | 0.047 | 7.855 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | 0.008 | -0.002 | 9.839 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | 0.000 | -0.005 | 11.539 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.039 | -0.038 | 11.142 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | -0.013 | 0.034 | 13.803 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.024 | 0.009 | 15.491 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.660 | -0.803 | 18.713 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.951 | 0.967 | 20.708 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.004 | -0.006 | 16.704 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.858 | 0.945 | 16.295 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | -0.013 | -0.001 | 17.392 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | 0.000 | -0.003 | 17.019 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.037 | 0.018 | 13.633 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | 0.008 | 0.005 | 15.326 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.777 | -0.882 | 17.153 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.027 | -0.022 | 15.421 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.039 | 0.021 | 12.053 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.941 | 0.987 | 15.098 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.015 | -0.005 | 18.332 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | -0.004 | -0.015 | 14.258 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.763 | -0.842 | 15.231 | 0.603 | 0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.755 | -0.871 | 17.522 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.025 | -0.026 | 20.085 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.000 | 0.006 | 16.690 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.806 | 0.901 | 19.371 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | -0.017 | -0.010 | 22.210 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.084 | -0.044 | 20.517 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | -0.017 | -0.009 | 18.403 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | -0.004 | 0.002 | 24.316 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.033 | -0.027 | 27.850 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | -0.014 | 0.003 | 30.837 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | -0.006 | -0.018 | 32.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | -0.006 | -0.001 | 36.392 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.884 | 0.932 | 38.902 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.879 | -0.951 | 40.741 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.031 | -0.019 | 41.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | -0.018 | -0.006 | 40.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | 0.053 | 0.036 | 43.274 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.849 | -0.924 | 43.538 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.801 | 0.888 | 38.250 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.934 | -0.967 | 38.400 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.009 | -0.004 | 36.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | 0.055 | 0.052 | 37.568 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.027 | -0.016 | 32.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | 0.013 | 0.001 | 35.483 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.028 | -0.028 | 28.152 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.771 | -0.849 | 30.042 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | -0.003 | -0.006 | 30.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.012 | 0.001 | 28.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.867 | 0.937 | 25.350 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | -0.009 | 0.012 | 21.091 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.955 | 0.968 | 23.902 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.010 | 0.022 | 22.220 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.007 | -0.004 | 19.482 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.012 | 0.002 | 22.786 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.021 | 0.000 | 21.322 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.818 | 0.866 | 25.442 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.013 | 0.001 | 19.685 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | -0.007 | 0.006 | 18.368 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | -0.009 | -0.004 | 24.398 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.018 | -0.018 | 26.762 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.030 | 0.036 | 29.778 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | 0.037 | 0.019 | 32.802 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.004 | -0.007 | 32.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.870 | 0.937 | 38.237 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | 0.017 | -0.018 | 41.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.074 | -0.040 | 43.158 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.989 | 0.979 | 45.763 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.014 | -0.002 | 46.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.032 | 0.027 | 41.901 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.944 | 1.006 | 36.309 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.016 | 0.013 | 41.034 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.003 | 0.000 | 34.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.009 | 0.003 | 38.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.041 | 0.024 | 37.290 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.874 | -0.941 | 30.834 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.054 | -0.019 | 32.074 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | 0.016 | 0.037 | 28.223 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | -0.015 | -0.015 | 29.252 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.784 | -0.861 | 29.140 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.873 | 0.916 | 28.433 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.065 | 0.038 | 31.737 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.054 | -0.008 | 34.201 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | 0.000 | -0.009 | 34.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | -0.001 | -0.014 | 34.687 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.082 | -0.034 | 31.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.069 | 0.041 | 33.851 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.018 | -0.005 | 33.700 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.927 | 0.951 | 31.025 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.010 | -0.009 | 34.088 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | -0.082 | -0.048 | 33.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.055 | 0.018 | 36.300 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.029 | 0.009 | 40.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.064 | 0.007 | 41.868 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.934 | 0.983 | 43.564 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | -0.027 | -0.001 | 38.933 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | -0.010 | -0.015 | 43.076 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.052 | 0.009 | 42.571 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | -0.025 | -0.002 | 41.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.809 | -0.891 | 39.560 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | -0.009 | -0.004 | 34.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.014 | -0.011 | 32.220 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | 0.008 | -0.010 | 28.595 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | -0.004 | 0.006 | 23.273 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.033 | 0.004 | 26.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.038 | -0.012 | 24.593 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | -0.001 | 0.001 | 25.585 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.011 | -0.007 | 25.578 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.012 | 0.014 | 21.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.037 | 0.018 | 24.912 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | 0.011 | 0.000 | 25.122 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.034 | 0.008 | 21.235 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.074 | -0.042 | 25.320 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | 0.020 | 0.026 | 27.528 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.024 | 0.026 | 24.343 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.028 | -0.033 | 19.559 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.038 | -0.014 | 22.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.017 | 0.017 | 25.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.017 | -0.001 | 28.149 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.034 | 0.002 | 28.981 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.844 | -0.893 | 30.747 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | 0.009 | 0.009 | 32.144 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.049 | -0.045 | 36.260 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.030 | 0.012 | 39.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.939 | 0.967 | 42.841 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | -0.006 | 0.003 | 42.320 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | 0.004 | 0.004 | 41.181 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.030 | -0.007 | 42.165 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.018 | 0.023 | 39.951 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | 0.021 | -0.002 | 44.630 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | -0.002 | 0.009 | 46.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.030 | 0.020 | 47.582 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | 0.014 | 0.002 | 49.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.045 | -0.008 | 52.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | -0.013 | -0.006 | 45.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.022 | 0.012 | 48.182 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.860 | -0.942 | 47.774 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.761 | -0.837 | 45.234 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.073 | -0.037 | 41.680 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.046 | 0.032 | 43.403 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | -0.018 | -0.015 | 40.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.025 | -0.008 | 38.480 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.057 | 0.041 | 40.209 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.013 | 0.012 | 40.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.028 | -0.020 | 35.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.024 | 0.009 | 37.402 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.028 | 0.038 | 39.676 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.882 | 0.933 | 32.456 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.006 | 0.002 | 34.793 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.044 | 0.022 | 36.696 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.034 | 0.009 | 38.612 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | -0.001 | -0.009 | 31.382 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.818 | 0.952 | 32.462 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | -0.022 | -0.014 | 26.538 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | 0.000 | 0.009 | 30.244 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.009 | -0.013 | 25.023 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.014 | -0.003 | 27.978 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | -0.002 | -0.014 | 23.670 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.009 | -0.015 | 27.326 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | -0.001 | 0.023 | 27.304 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | 0.000 | 0.009 | 26.894 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.046 | 0.020 | 29.798 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.015 | -0.017 | 31.194 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | -0.001 | 0.005 | 34.027 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.884 | 0.957 | 27.919 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.060 | 0.021 | 33.174 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | -0.009 | -0.014 | 35.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | 0.006 | -0.002 | 34.911 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.037 | 0.009 | 34.420 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.015 | 0.007 | 36.391 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.073 | 0.026 | 39.901 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.036 | -0.008 | 36.620 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.018 | -0.007 | 40.428 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | 0.003 | 0.011 | 42.740 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.014 | -0.002 | 43.053 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.026 | -0.047 | 40.579 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.041 | 0.041 | 45.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | 0.005 | 0.005 | 47.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.048 | -0.006 | 42.520 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.858 | 0.922 | 41.010 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.034 | -0.021 | 37.616 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | 0.003 | 0.012 | 34.819 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.028 | -0.027 | 34.517 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.009 | -0.026 | 29.625 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.026 | 0.007 | 28.042 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.049 | -0.010 | 22.807 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | 0.003 | 0.009 | 26.393 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.130 | 0.054 | 28.243 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.009 | 0.019 | 30.221 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.016 | 0.023 | 28.686 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.053 | 0.023 | 30.816 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.737 | -0.855 | 33.386 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | 0.015 | 0.020 | 33.572 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.049 | -0.018 | 32.442 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.043 | -0.013 | 36.327 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.794 | -0.905 | 38.857 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.785 | 0.922 | 38.567 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.025 | -0.005 | 40.456 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.021 | 0.005 | 42.199 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.862 | 0.941 | 44.302 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.086 | -0.081 | 42.977 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.015 | 0.002 | 42.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.025 | 0.017 | 46.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.077 | 0.032 | 47.335 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.855 | -0.917 | 48.048 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.868 | 0.926 | 47.441 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.042 | -0.007 | 43.596 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.054 | -0.036 | 42.853 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.819 | 0.897 | 34.712 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.026 | -0.024 | 37.317 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.017 | -0.008 | 37.168 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.019 | 0.002 | 33.991 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.018 | 0.000 | 37.109 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | -0.006 | 0.010 | 36.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | 0.008 | -0.006 | 35.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.053 | -0.045 | 32.524 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.958 | -0.950 | 35.843 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.058 | -0.035 | 36.194 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | 0.002 | -0.019 | 38.052 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.856 | -0.872 | 40.361 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.908 | 0.972 | 43.639 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.025 | -0.009 | 41.080 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.885 | 0.947 | 45.464 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.042 | 0.023 | 42.203 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.049 | -0.021 | 40.751 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | 0.002 | 0.000 | 42.992 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.033 | -0.017 | 40.796 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.011 | -0.012 | 42.569 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.823 | -0.861 | 44.510 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.048 | -0.035 | 43.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | -0.017 | -0.032 | 41.599 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | -0.003 | 0.003 | 38.352 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.033 | 0.007 | 36.667 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.006 | -0.004 | 33.482 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.014 | 0.031 | 29.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.028 | 0.003 | 26.115 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.031 | -0.012 | 27.617 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | 0.001 | 0.005 | 29.280 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.006 | 0.007 | 30.385 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | 0.018 | 0.016 | 33.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.882 | -0.925 | 35.143 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.001 | 0.000 | 37.115 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | -0.012 | -0.001 | 37.564 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | 0.019 | 0.015 | 37.587 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.777 | -0.868 | 39.224 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.024 | -0.034 | 35.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.028 | 0.033 | 31.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.013 | -0.007 | 32.576 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.012 | -0.006 | 24.602 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.752 | -0.834 | 28.476 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.787 | -0.838 | 24.391 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.023 | 0.006 | 22.482 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.015 | 0.002 | 19.654 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.027 | 0.013 | 18.853 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | 0.002 | 0.022 | 20.590 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.028 | -0.005 | 16.926 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.022 | -0.032 | 15.598 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | -0.023 | -0.022 | 18.876 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.786 | -0.883 | 20.775 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.059 | -0.006 | 20.289 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.031 | 0.022 | 22.794 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.014 | 0.003 | 24.540 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.000 | -0.003 | 26.716 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.062 | -0.028 | 26.323 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.042 | -0.016 | 28.986 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.796 | 0.895 | 30.642 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.019 | 0.009 | 32.417 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.975 | 1.021 | 33.424 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.014 | -0.017 | 34.845 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.735 | 0.871 | 36.258 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.828 | 0.909 | 35.262 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | 0.005 | 0.009 | 30.511 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.006 | 0.001 | 31.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | -0.006 | -0.006 | 25.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.018 | 0.002 | 27.928 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.041 | 0.012 | 25.025 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.686 | -0.818 | 23.843 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.030 | 0.023 | 19.136 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | -0.015 | 0.006 | 18.770 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.055 | -0.023 | 20.941 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.018 | 0.013 | 17.947 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | 0.022 | 0.036 | 14.504 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.006 | 0.000 | 17.500 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | 0.000 | -0.009 | 15.781 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.779 | 0.899 | 11.461 | -0.815 | -0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.025 | -0.040 | 12.676 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | 0.014 | 0.011 | 11.640 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.085 | -0.016 | 6.155 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.013 | -0.017 | 8.020 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.821 | 0.918 | 4.547 | 0.257 | 0.288 | -0.001 | -0.002 | -0.029 | 0.000 |
411 | B | 415 | GLY | 0 | 0.069 | 0.028 | 4.227 | 2.117 | 2.220 | 0.001 | -0.033 | -0.071 | 0.000 |
412 | B | 416 | THR | 0 | -0.019 | -0.009 | 5.403 | -0.359 | -0.350 | -0.001 | 0.000 | -0.009 | 0.000 |
413 | B | 417 | LEU | 0 | 0.013 | 0.020 | 7.424 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.823 | -0.915 | 9.062 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.013 | -0.004 | 11.465 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.863 | -0.891 | 12.691 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | 0.012 | -0.014 | 9.866 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.049 | 0.008 | 12.390 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.091 | 0.026 | 14.617 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.000 | -0.019 | 16.851 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | 0.017 | 0.023 | 18.973 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.073 | -0.033 | 17.467 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.877 | 0.929 | 13.426 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.012 | 0.014 | 17.633 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.052 | -0.029 | 21.275 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.880 | 0.934 | 16.865 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.048 | -0.026 | 17.560 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.009 | 0.001 | 20.084 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.040 | 0.045 | 23.085 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.049 | -0.030 | 24.809 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.773 | -0.818 | 26.620 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.088 | -0.023 | 29.995 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.032 | 0.013 | 27.612 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.062 | -0.014 | 31.134 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.080 | 0.019 | 32.066 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | 0.004 | 0.016 | 33.739 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.046 | -0.009 | 32.781 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.992 | 0.977 | 34.919 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.762 | 0.879 | 31.245 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.048 | -0.012 | 33.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.057 | 0.060 | 35.633 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.050 | 0.000 | 35.815 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.717 | -0.845 | 35.206 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.031 | -0.005 | 30.724 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.024 | -0.019 | 30.921 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.816 | -0.911 | 31.125 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.039 | -0.020 | 27.547 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.018 | 0.003 | 26.350 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.048 | -0.033 | 26.304 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | 0.006 | 0.009 | 27.268 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.079 | -0.016 | 22.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.025 | -0.022 | 20.468 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.058 | -0.051 | 22.843 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.804 | -0.887 | 24.782 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | 0.021 | 0.012 | 26.359 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.852 | 0.922 | 26.131 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.069 | -0.018 | 29.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.917 | 0.958 | 31.661 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | 0.002 | 0.000 | 35.314 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | -0.017 | 0.002 | 37.156 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.809 | 0.897 | 39.291 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.804 | -0.893 | 40.334 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.830 | 0.916 | 37.492 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.037 | -0.032 | 39.496 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.024 | -0.003 | 40.894 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | 0.028 | 0.032 | 40.536 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.049 | 0.013 | 35.217 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.051 | 0.015 | 36.130 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.817 | 0.913 | 31.066 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | -0.001 | 0.014 | 32.692 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | 0.015 | 0.015 | 27.088 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.048 | 0.007 | 30.501 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.862 | 0.915 | 25.010 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.022 | 0.041 | 28.619 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.013 | -0.006 | 29.657 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | 0.001 | 0.023 | 23.515 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.033 | -0.007 | 26.939 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.047 | 0.018 | 21.397 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.760 | -0.866 | 24.683 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.056 | -0.027 | 23.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | -0.012 | -0.001 | 20.357 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.046 | -0.035 | 21.050 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.043 | 0.026 | 22.269 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.038 | -0.025 | 24.115 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | -0.007 | -0.037 | 27.179 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.955 | 0.960 | 29.367 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.005 | 0.011 | 31.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.038 | 0.013 | 27.487 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.026 | -0.001 | 31.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.009 | -0.005 | 34.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.053 | 0.023 | 35.295 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | -0.028 | -0.007 | 34.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.911 | 0.940 | 37.317 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.806 | -0.899 | 40.320 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.013 | -0.003 | 39.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | 0.028 | 0.002 | 39.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.073 | -0.030 | 42.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.970 | 0.996 | 41.798 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.059 | -0.012 | 43.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.050 | 0.016 | 44.261 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.036 | 0.023 | 45.661 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | 0.011 | -0.006 | 36.982 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.921 | 0.960 | 40.856 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.850 | 0.954 | 41.958 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | -0.013 | 0.008 | 37.177 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | 0.015 | 0.022 | 33.139 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | 0.010 | -0.001 | 30.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | -0.004 | -0.020 | 27.155 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.008 | -0.010 | 26.554 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | -0.018 | -0.010 | 21.014 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | 0.007 | 0.014 | 19.754 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.007 | -0.012 | 24.020 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | 0.006 | -0.002 | 26.025 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.075 | 0.044 | 26.998 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.042 | -0.016 | 28.284 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.010 | 0.013 | 30.345 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.028 | -0.021 | 31.842 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.029 | 0.011 | 32.838 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.015 | 0.011 | 34.434 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.941 | 0.968 | 36.331 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.035 | -0.014 | 36.454 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.060 | -0.026 | 35.829 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.012 | 0.022 | 39.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.048 | -0.004 | 36.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.031 | 0.043 | 36.528 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | -0.001 | -0.007 | 31.594 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | -0.024 | -0.001 | 29.277 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | 0.006 | 0.019 | 24.220 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.023 | 0.006 | 22.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.749 | -0.829 | 19.510 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.017 | -0.014 | 23.038 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.021 | -0.003 | 26.497 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.012 | -0.009 | 22.571 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | -0.008 | -0.003 | 26.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.028 | -0.004 | 29.667 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.829 | -0.890 | 31.761 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.088 | 0.029 | 31.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.753 | -0.810 | 36.619 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.015 | -0.018 | 37.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.008 | 0.007 | 31.195 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.022 | 0.009 | 33.687 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.031 | -0.002 | 24.075 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.021 | 0.028 | 28.466 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.085 | 0.023 | 21.681 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.051 | -0.025 | 23.832 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.037 | 0.022 | 20.491 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.768 | -0.818 | 20.766 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 552 | THR | 0 | 0.004 | -0.005 | 16.194 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 553 | ALA | 0 | 0.103 | 0.043 | 12.239 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 554 | HIS | 0 | -0.056 | -0.033 | 14.314 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 555 | SER | 0 | -0.016 | -0.034 | 15.984 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.026 | 0.010 | 17.218 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 557 | ASN | 0 | 0.017 | 0.032 | 13.615 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 558 | VAL | 0 | 0.063 | 0.019 | 16.648 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | 0.005 | 0.008 | 17.380 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.808 | 0.887 | 15.828 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.052 | 0.010 | 20.327 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | 0.022 | -0.013 | 22.177 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.026 | 0.011 | 22.772 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.020 | 0.000 | 24.445 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.027 | -0.002 | 26.335 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | 0.002 | -0.010 | 27.184 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.817 | 0.904 | 27.766 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.014 | 0.014 | 31.334 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.841 | 0.919 | 34.454 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.023 | -0.010 | 37.612 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.050 | 0.034 | 38.097 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.027 | -0.024 | 30.627 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.027 | 0.038 | 34.527 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.049 | -0.008 | 29.554 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | 0.001 | 0.004 | 30.756 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.045 | -0.014 | 24.757 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.039 | 0.010 | 24.140 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.742 | -0.836 | 21.632 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 579 | ARG | 1 | 0.850 | 0.917 | 23.835 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.729 | -0.807 | 20.446 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | 0.004 | -0.014 | 20.491 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | -0.002 | -0.005 | 24.232 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.754 | -0.840 | 27.122 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.803 | 0.890 | 20.985 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.049 | -0.003 | 27.392 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | 0.008 | 0.021 | 29.763 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.014 | -0.032 | 31.246 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.056 | 0.033 | 35.022 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | -0.008 | -0.010 | 35.648 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.052 | -0.033 | 36.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.844 | -0.915 | 37.709 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.130 | -0.087 | 35.533 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.945 | -0.955 | 39.103 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 801 | HOH | 0 | -0.025 | -0.036 | 30.503 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 803 | HOH | 0 | -0.026 | -0.025 | 39.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 805 | HOH | 0 | -0.026 | -0.043 | 21.567 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 806 | HOH | 0 | -0.040 | -0.039 | 19.937 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 808 | HOH | 0 | -0.045 | -0.031 | 47.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 809 | HOH | 0 | -0.023 | -0.035 | 26.590 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 810 | HOH | 0 | -0.021 | -0.025 | 44.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 811 | HOH | 0 | 0.002 | 0.002 | 24.539 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 812 | HOH | 0 | 0.011 | -0.005 | 25.845 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 813 | HOH | 0 | 0.017 | 0.006 | 30.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 814 | HOH | 0 | -0.014 | -0.019 | 26.097 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 815 | HOH | 0 | -0.005 | -0.008 | 36.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 818 | HOH | 0 | -0.020 | -0.026 | 37.252 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 819 | HOH | 0 | -0.041 | -0.031 | 28.348 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 820 | HOH | 0 | -0.027 | -0.020 | 14.897 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 821 | HOH | 0 | -0.006 | -0.016 | 18.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 822 | HOH | 0 | -0.049 | -0.038 | 31.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 823 | HOH | 0 | -0.016 | -0.019 | 20.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 824 | HOH | 0 | -0.001 | -0.025 | 16.962 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 825 | HOH | 0 | -0.024 | -0.035 | 12.349 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 827 | HOH | 0 | -0.009 | -0.006 | 16.684 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 828 | HOH | 0 | -0.002 | -0.004 | 13.246 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 830 | HOH | 0 | -0.012 | -0.018 | 17.332 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 831 | HOH | 0 | -0.021 | -0.023 | 37.311 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 834 | HOH | 0 | -0.009 | -0.004 | 38.116 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 836 | HOH | 0 | 0.026 | 0.010 | 21.941 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 837 | HOH | 0 | -0.068 | -0.059 | 43.285 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 839 | HOH | 0 | -0.032 | -0.029 | 37.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 840 | HOH | 0 | 0.008 | -0.018 | 27.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 841 | HOH | 0 | -0.023 | -0.017 | 34.172 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 845 | HOH | 0 | -0.010 | -0.021 | 23.564 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 847 | HOH | 0 | 0.004 | 0.006 | 11.913 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 848 | HOH | 0 | -0.015 | -0.024 | 42.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 849 | HOH | 0 | -0.038 | -0.019 | 41.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 850 | HOH | 0 | 0.000 | -0.012 | 7.201 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 851 | HOH | 0 | -0.002 | -0.010 | 34.792 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 852 | HOH | 0 | 0.023 | -0.006 | 33.485 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 853 | HOH | 0 | 0.011 | -0.001 | 39.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 854 | HOH | 0 | 0.010 | -0.001 | 26.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 856 | HOH | 0 | -0.018 | -0.025 | 30.187 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 857 | HOH | 0 | -0.011 | -0.015 | 25.307 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 858 | HOH | 0 | -0.039 | -0.022 | 17.981 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 859 | HOH | 0 | 0.007 | -0.012 | 40.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 860 | HOH | 0 | -0.013 | -0.014 | 25.278 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 864 | HOH | 0 | -0.007 | -0.020 | 35.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 865 | HOH | 0 | 0.008 | -0.005 | 41.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 866 | HOH | 0 | -0.041 | -0.040 | 18.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 867 | HOH | 0 | -0.030 | -0.031 | 19.158 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 868 | HOH | 0 | -0.058 | -0.035 | 20.297 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 869 | HOH | 0 | -0.030 | -0.029 | 18.218 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 870 | HOH | 0 | 0.023 | 0.004 | 16.946 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 871 | HOH | 0 | -0.009 | -0.023 | 42.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 872 | HOH | 0 | -0.013 | -0.010 | 34.022 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 873 | HOH | 0 | -0.008 | -0.013 | 14.740 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 874 | HOH | 0 | 0.017 | -0.007 | 24.786 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 875 | HOH | 0 | 0.003 | -0.018 | 15.037 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 877 | HOH | 0 | -0.018 | -0.017 | 15.968 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 878 | HOH | 0 | -0.049 | -0.032 | 29.468 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 880 | HOH | 0 | -0.008 | -0.019 | 30.077 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 881 | HOH | 0 | -0.026 | -0.035 | 37.581 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 882 | HOH | 0 | -0.011 | -0.017 | 38.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 883 | HOH | 0 | -0.029 | -0.038 | 35.926 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 884 | HOH | 0 | 0.006 | 0.003 | 18.173 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 886 | HOH | 0 | -0.042 | -0.039 | 38.326 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 887 | HOH | 0 | -0.004 | -0.006 | 46.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 890 | HOH | 0 | -0.030 | -0.031 | 9.504 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 891 | HOH | 0 | -0.013 | -0.020 | 18.666 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 892 | HOH | 0 | -0.031 | -0.033 | 42.532 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 893 | HOH | 0 | 0.007 | 0.002 | 33.581 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 896 | HOH | 0 | 0.026 | 0.001 | 19.113 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 897 | HOH | 0 | -0.021 | -0.022 | 14.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 898 | HOH | 0 | -0.037 | -0.032 | 43.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 899 | HOH | 0 | -0.002 | -0.017 | 28.845 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 900 | HOH | 0 | 0.002 | -0.009 | 44.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 902 | HOH | 0 | -0.009 | -0.039 | 42.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 904 | HOH | 0 | 0.028 | 0.006 | 13.873 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 907 | HOH | 0 | -0.028 | -0.023 | 21.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 908 | HOH | 0 | -0.021 | -0.031 | 25.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 909 | HOH | 0 | 0.008 | -0.006 | 23.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 910 | HOH | 0 | -0.024 | -0.018 | 34.514 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 911 | HOH | 0 | -0.041 | -0.047 | 23.733 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 912 | HOH | 0 | -0.020 | -0.023 | 26.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 916 | HOH | 0 | -0.039 | -0.027 | 48.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 920 | HOH | 0 | -0.005 | -0.005 | 25.647 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 923 | HOH | 0 | -0.018 | -0.015 | 22.896 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 924 | HOH | 0 | 0.005 | 0.000 | 36.920 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 925 | HOH | 0 | -0.014 | -0.026 | 14.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 928 | HOH | 0 | -0.002 | -0.011 | 28.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 932 | HOH | 0 | -0.002 | -0.010 | 31.969 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 933 | HOH | 0 | -0.011 | -0.023 | 24.695 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 935 | HOH | 0 | 0.034 | 0.020 | 14.292 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 937 | HOH | 0 | -0.015 | -0.018 | 38.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 938 | HOH | 0 | 0.033 | 0.015 | 29.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 940 | HOH | 0 | 0.009 | -0.003 | 45.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 941 | HOH | 0 | -0.041 | -0.025 | 31.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 942 | HOH | 0 | -0.031 | -0.029 | 48.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 944 | HOH | 0 | -0.025 | -0.028 | 40.500 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 946 | HOH | 0 | -0.028 | -0.036 | 12.403 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 948 | HOH | 0 | -0.044 | -0.037 | 30.164 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 949 | HOH | 0 | 0.007 | 0.005 | 16.863 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 950 | HOH | 0 | -0.011 | -0.017 | 26.441 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 952 | HOH | 0 | 0.023 | 0.011 | 22.207 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 956 | HOH | 0 | -0.023 | -0.025 | 42.168 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 958 | HOH | 0 | -0.033 | -0.023 | 17.388 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 962 | HOH | 0 | 0.009 | 0.003 | 23.453 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 965 | HOH | 0 | -0.024 | -0.040 | 16.036 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 966 | HOH | 0 | 0.036 | 0.019 | 30.371 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 968 | HOH | 0 | 0.006 | 0.000 | 28.297 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 970 | HOH | 0 | 0.019 | 0.009 | 34.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 971 | HOH | 0 | 0.008 | -0.004 | 13.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 975 | HOH | 0 | -0.019 | -0.014 | 36.075 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 978 | HOH | 0 | -0.023 | -0.014 | 36.392 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 980 | HOH | 0 | 0.043 | 0.027 | 30.181 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 983 | HOH | 0 | 0.013 | -0.004 | 27.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 987 | HOH | 0 | -0.007 | -0.013 | 31.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 990 | HOH | 0 | -0.027 | -0.021 | 47.166 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 992 | HOH | 0 | -0.022 | -0.020 | 27.214 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 993 | HOH | 0 | -0.003 | 0.005 | 27.579 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 994 | HOH | 0 | -0.014 | -0.012 | 39.585 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 997 | HOH | 0 | 0.004 | 0.000 | 13.229 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 1002 | HOH | 0 | 0.007 | 0.000 | 15.445 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 1005 | HOH | 0 | 0.034 | 0.015 | 15.967 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 1008 | HOH | 0 | -0.047 | -0.036 | 29.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 1010 | HOH | 0 | 0.012 | 0.010 | 1.853 | -8.875 | -12.561 | 7.786 | -2.589 | -1.511 | -0.033 |
715 | B | 1012 | HOH | 0 | 0.016 | 0.005 | 25.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 1017 | HOH | 0 | 0.026 | 0.019 | 16.561 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 1020 | HOH | 0 | -0.039 | -0.028 | 24.538 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 1023 | HOH | 0 | 0.002 | -0.010 | 29.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 1024 | HOH | 0 | -0.016 | -0.022 | 36.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 1026 | HOH | 0 | 0.031 | 0.022 | 16.885 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 1028 | HOH | 0 | 0.011 | -0.012 | 15.771 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 1030 | HOH | 0 | 0.023 | 0.003 | 43.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 1031 | HOH | 0 | 0.007 | 0.002 | 16.062 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 1035 | HOH | 0 | 0.024 | 0.026 | 27.841 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 1036 | HOH | 0 | -0.028 | -0.026 | 41.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 1037 | HOH | 0 | 0.008 | -0.011 | 26.364 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 1041 | HOH | 0 | -0.008 | -0.009 | 19.443 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 1044 | HOH | 0 | -0.020 | -0.019 | 14.040 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 1045 | HOH | 0 | 0.040 | 0.027 | 32.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 701 | S9S | 0 | 0.027 | 0.032 | 34.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |