FMODB ID: LZ669
Calculation Name: 4ZWJ-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4ZWJ
Chain ID: B
UniProt ID: P20443
Base Structure: X-ray
Registration Date: 2023-06-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 674 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14630981.799689 |
---|---|
FMO2-HF: Nuclear repulsion | 14363133.071626 |
FMO2-HF: Total energy | -267848.728063 |
FMO2-MP2: Total energy | -268620.217051 |
3D Structure
Ligand structure
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. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:1:MET)
Summations of interaction energy for
fragment #1(B:1:MET)
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. |
-4.445 | -0.913 | 2.18 | -2.13 | -3.584 | -0.002 |
Interaction energy analysis for fragmet #1(B:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | B | 3 | GLY | 0 | 0.041 | 0.024 | 3.788 | -1.735 | 0.411 | -0.023 | -1.001 | -1.122 | 0.006 |
4 | B | 4 | THR | 0 | -0.050 | -0.039 | 3.527 | -1.556 | -1.208 | 0.019 | -0.216 | -0.151 | -0.001 |
5 | B | 5 | GLU | -1 | -0.859 | -0.949 | 2.283 | -4.496 | -3.681 | 2.184 | -0.891 | -2.109 | -0.007 |
6 | B | 6 | GLY | 0 | 0.023 | 0.007 | 5.331 | 0.314 | 0.330 | -0.001 | -0.001 | -0.015 | 0.000 |
7 | B | 7 | PRO | 0 | -0.087 | -0.034 | 8.481 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 8 | ASN | 0 | -0.020 | -0.025 | 11.033 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 9 | PHE | 0 | 0.038 | 0.006 | 10.314 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 10 | TYR | 0 | 0.033 | 0.024 | 3.726 | -0.383 | -0.176 | 0.001 | -0.021 | -0.187 | 0.000 |
11 | B | 11 | VAL | 0 | 0.036 | 0.032 | 8.337 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 12 | PRO | 0 | -0.012 | 0.009 | 7.909 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 13 | PHE | 0 | 0.010 | -0.018 | 8.253 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 14 | SER | 0 | 0.062 | 0.044 | 6.126 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 15 | ASN | 0 | 0.027 | -0.003 | 6.745 | 0.625 | 0.625 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 16 | ALA | 0 | -0.003 | 0.003 | 7.137 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 17 | THR | 0 | -0.012 | -0.011 | 8.798 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 18 | GLY | 0 | 0.012 | 0.024 | 11.437 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 19 | VAL | 0 | -0.025 | -0.024 | 12.491 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 20 | VAL | 0 | -0.033 | 0.010 | 9.545 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 21 | ARG | 1 | 0.910 | 0.946 | 12.433 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 22 | SER | 0 | 0.036 | 0.013 | 14.057 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 23 | PRO | 0 | 0.045 | 0.014 | 13.422 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 24 | PHE | 0 | -0.053 | -0.037 | 15.407 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 25 | GLU | -1 | -0.966 | -0.960 | 18.672 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 26 | TYR | 0 | -0.001 | -0.006 | 18.373 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 27 | PRO | 0 | 0.010 | -0.007 | 19.278 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 28 | GLN | 0 | 0.017 | 0.029 | 14.889 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 29 | TYR | 0 | -0.021 | -0.031 | 18.118 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 30 | TYR | 0 | 0.001 | -0.012 | 12.879 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 31 | LEU | 0 | -0.069 | -0.008 | 12.564 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 32 | ALA | 0 | -0.008 | -0.010 | 15.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 33 | GLU | -1 | -0.826 | -0.907 | 19.379 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 34 | PRO | 0 | 0.067 | 0.012 | 22.984 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 35 | TRP | 0 | -0.003 | -0.012 | 24.930 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 36 | GLN | 0 | -0.011 | -0.012 | 22.461 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 37 | PHE | 0 | 0.022 | 0.015 | 19.177 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 38 | SER | 0 | 0.004 | 0.003 | 25.097 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 39 | MET | 0 | -0.033 | -0.012 | 27.181 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 40 | LEU | 0 | -0.001 | 0.009 | 22.627 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 41 | ALA | 0 | 0.025 | 0.017 | 26.707 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 42 | ALA | 0 | 0.006 | -0.011 | 29.306 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 43 | TYR | 0 | -0.024 | -0.016 | 26.954 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 44 | MET | 0 | 0.018 | 0.008 | 25.360 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 45 | PHE | 0 | -0.008 | 0.005 | 30.174 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 46 | LEU | 0 | -0.002 | 0.000 | 33.486 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 47 | LEU | 0 | -0.007 | -0.010 | 29.175 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 48 | ILE | 0 | -0.012 | -0.001 | 32.013 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 49 | VAL | 0 | -0.030 | -0.014 | 35.290 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 50 | LEU | 0 | -0.025 | -0.010 | 36.674 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 51 | GLY | 0 | 0.055 | 0.017 | 35.992 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 52 | PHE | 0 | -0.013 | -0.004 | 37.041 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 53 | PRO | 0 | 0.011 | 0.003 | 38.821 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 54 | ILE | 0 | 0.037 | 0.028 | 40.100 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 55 | ASN | 0 | 0.034 | 0.017 | 37.309 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 56 | PHE | 0 | 0.029 | 0.016 | 40.938 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 57 | LEU | 0 | -0.010 | -0.004 | 43.004 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 58 | THR | 0 | -0.002 | -0.010 | 43.378 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 59 | LEU | 0 | 0.009 | 0.015 | 41.411 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 60 | TYR | 0 | 0.004 | 0.006 | 45.759 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 61 | VAL | 0 | -0.027 | -0.032 | 48.504 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 62 | THR | 0 | -0.002 | -0.020 | 47.888 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 63 | VAL | 0 | -0.010 | 0.009 | 48.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 64 | GLN | 0 | -0.046 | 0.000 | 51.564 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 65 | HIS | 0 | -0.034 | -0.011 | 53.896 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 66 | LYS | 1 | 0.974 | 0.973 | 54.360 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 67 | LYS | 1 | 0.857 | 0.936 | 55.845 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 68 | LEU | 0 | 0.055 | 0.034 | 50.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 69 | ARG | 1 | 0.874 | 0.936 | 50.796 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 70 | THR | 0 | 0.033 | 0.019 | 50.777 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 71 | PRO | 0 | 0.032 | 0.008 | 48.962 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 72 | LEU | 0 | 0.037 | 0.022 | 47.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 73 | ASN | 0 | -0.022 | -0.028 | 45.954 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 74 | TYR | 0 | -0.022 | -0.006 | 45.074 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 75 | ILE | 0 | 0.035 | 0.031 | 39.046 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 76 | LEU | 0 | -0.024 | -0.013 | 40.719 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 77 | LEU | 0 | -0.043 | -0.027 | 41.709 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 78 | ASN | 0 | 0.015 | 0.013 | 36.730 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 79 | LEU | 0 | 0.011 | 0.018 | 35.788 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 80 | ALA | 0 | 0.029 | 0.017 | 37.008 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 81 | VAL | 0 | -0.021 | -0.020 | 36.927 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 82 | ALA | 0 | -0.028 | -0.003 | 33.367 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 83 | ASP | -1 | -0.798 | -0.922 | 33.036 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 84 | LEU | 0 | -0.070 | -0.039 | 34.099 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 85 | PHE | 0 | -0.019 | -0.004 | 31.566 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 86 | MET | 0 | -0.006 | 0.016 | 27.594 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 87 | VAL | 0 | -0.040 | -0.009 | 30.087 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 88 | LEU | 0 | -0.042 | -0.027 | 31.877 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 89 | GLY | 0 | 0.035 | 0.024 | 29.995 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 90 | GLY | 0 | 0.026 | 0.013 | 26.841 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 91 | PHE | 0 | 0.052 | 0.007 | 27.100 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 92 | THR | 0 | 0.022 | 0.011 | 29.024 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 93 | SER | 0 | 0.001 | 0.009 | 26.560 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 94 | THR | 0 | -0.018 | -0.033 | 23.514 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 95 | LEU | 0 | -0.032 | 0.003 | 25.706 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 96 | TYR | 0 | 0.031 | 0.019 | 27.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 97 | THR | 0 | -0.023 | -0.002 | 23.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 98 | SER | 0 | -0.028 | -0.016 | 24.239 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 99 | LEU | 0 | -0.034 | -0.018 | 25.245 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 100 | HIS | 0 | -0.038 | -0.014 | 25.602 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 101 | GLY | 0 | 0.004 | 0.011 | 23.196 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 102 | TYR | 0 | -0.033 | -0.023 | 19.757 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 103 | PHE | 0 | -0.024 | -0.007 | 19.401 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 104 | VAL | 0 | 0.052 | 0.014 | 21.137 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 105 | PHE | 0 | -0.051 | -0.013 | 23.848 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 106 | GLY | 0 | 0.047 | 0.041 | 20.828 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 107 | PRO | 0 | 0.050 | 0.000 | 17.714 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 108 | THR | 0 | 0.027 | 0.019 | 19.670 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 109 | GLY | 0 | 0.052 | 0.025 | 23.120 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 110 | CYS | 0 | -0.061 | -0.008 | 18.174 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 111 | ASN | 0 | 0.022 | -0.010 | 18.852 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 112 | LEU | 0 | 0.012 | 0.006 | 21.615 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 113 | GLN | 0 | -0.005 | 0.001 | 22.644 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 114 | GLY | 0 | 0.042 | 0.021 | 21.199 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 115 | PHE | 0 | 0.015 | 0.022 | 22.212 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 116 | PHE | 0 | -0.006 | -0.017 | 24.491 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 117 | ALA | 0 | -0.002 | 0.006 | 23.908 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 118 | THR | 0 | -0.027 | -0.014 | 22.583 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 119 | LEU | 0 | 0.007 | 0.006 | 24.850 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 120 | GLY | 0 | -0.006 | -0.007 | 28.186 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 121 | GLY | 0 | 0.042 | 0.008 | 27.543 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 122 | GLU | -1 | -0.730 | -0.891 | 25.514 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 123 | ILE | 0 | -0.004 | -0.003 | 28.854 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 124 | ALA | 0 | 0.033 | 0.035 | 31.701 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 125 | LEU | 0 | -0.032 | -0.003 | 28.165 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 126 | TRP | 0 | -0.005 | -0.028 | 28.895 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 127 | SER | 0 | -0.008 | -0.023 | 33.701 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 128 | LEU | 0 | -0.029 | -0.011 | 34.524 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 129 | VAL | 0 | -0.030 | -0.001 | 33.492 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 130 | VAL | 0 | -0.006 | 0.001 | 36.717 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 131 | LEU | 0 | -0.005 | 0.012 | 39.509 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 132 | ALA | 0 | -0.027 | -0.013 | 39.532 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 133 | ILE | 0 | 0.028 | 0.001 | 38.642 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 134 | GLU | -1 | -0.884 | -0.963 | 42.502 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 135 | ARG | 1 | 0.892 | 0.937 | 43.677 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 136 | TYR | 0 | 0.013 | 0.012 | 44.976 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 137 | VAL | 0 | 0.002 | -0.009 | 46.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 138 | VAL | 0 | -0.062 | -0.044 | 48.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 139 | VAL | 0 | -0.036 | -0.003 | 50.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 140 | CYS | 0 | -0.022 | 0.001 | 49.498 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 141 | LYS | 1 | 0.953 | 0.992 | 52.174 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 142 | PRO | 0 | 0.068 | 0.040 | 53.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 143 | MET | 0 | -0.008 | -0.015 | 56.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 144 | SER | 0 | -0.023 | -0.024 | 51.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 145 | ASN | 0 | -0.008 | 0.009 | 52.933 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 146 | PHE | 0 | 0.022 | 0.014 | 54.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 147 | ARG | 1 | 0.872 | 0.948 | 51.640 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 148 | PHE | 0 | 0.026 | 0.018 | 45.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 149 | GLY | 0 | 0.008 | -0.012 | 51.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 150 | GLU | -1 | -0.916 | -0.969 | 49.911 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 151 | ASN | 0 | 0.015 | -0.006 | 48.295 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 152 | HIS | 0 | 0.005 | 0.006 | 47.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 153 | ALA | 0 | 0.032 | 0.030 | 45.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 154 | ILE | 0 | -0.013 | -0.007 | 43.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 155 | MET | 0 | -0.009 | -0.008 | 42.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 156 | GLY | 0 | 0.050 | 0.038 | 40.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 157 | VAL | 0 | 0.022 | 0.008 | 39.174 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 158 | ALA | 0 | -0.014 | -0.001 | 38.070 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 159 | PHE | 0 | -0.001 | -0.007 | 34.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 160 | THR | 0 | -0.017 | -0.020 | 34.605 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 161 | TRP | 0 | -0.032 | -0.032 | 33.222 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 162 | VAL | 0 | -0.016 | 0.000 | 32.479 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 163 | MET | 0 | -0.012 | -0.002 | 30.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 164 | ALA | 0 | 0.008 | 0.005 | 28.821 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 165 | LEU | 0 | 0.017 | -0.006 | 27.589 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 166 | ALA | 0 | -0.026 | -0.005 | 27.427 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 167 | CYS | 0 | -0.109 | -0.051 | 23.705 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 168 | ALA | 0 | 0.035 | 0.015 | 22.888 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 169 | ALA | 0 | -0.013 | -0.007 | 23.556 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 170 | PRO | 0 | -0.041 | -0.020 | 21.322 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 171 | PRO | 0 | 0.002 | 0.008 | 18.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 172 | LEU | 0 | -0.051 | -0.013 | 18.642 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 173 | ALA | 0 | -0.069 | -0.033 | 20.949 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 174 | GLY | 0 | 0.015 | 0.016 | 18.126 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 175 | TRP | 0 | -0.081 | -0.034 | 16.850 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 176 | SER | 0 | 0.029 | -0.005 | 14.264 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 177 | ARG | 1 | 0.836 | 0.900 | 7.891 | 0.869 | 0.869 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 178 | TYR | 0 | -0.023 | -0.013 | 15.319 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 179 | ILE | 0 | -0.022 | -0.013 | 10.924 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 180 | PRO | 0 | -0.006 | -0.018 | 13.960 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 181 | GLU | -1 | -0.833 | -0.891 | 13.720 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 182 | GLY | 0 | 0.006 | -0.014 | 14.381 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 183 | LEU | 0 | -0.022 | -0.024 | 14.720 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 184 | GLN | 0 | -0.010 | -0.016 | 12.051 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 185 | CYS | 0 | -0.010 | 0.006 | 16.318 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 186 | SER | 0 | 0.011 | 0.001 | 19.347 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | GLY | 0 | 0.021 | 0.014 | 17.538 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | ILE | 0 | 0.022 | 0.003 | 16.153 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASP | -1 | -0.747 | -0.848 | 10.071 | -0.753 | -0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | TYR | 0 | -0.020 | -0.025 | 13.136 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | TYR | 0 | 0.015 | 0.000 | 9.162 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | THR | 0 | -0.025 | -0.014 | 5.139 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | LEU | 0 | -0.002 | 0.009 | 6.195 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | LYS | 1 | 0.933 | 0.984 | 6.191 | 0.687 | 0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | PRO | 0 | 0.001 | -0.021 | 7.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.870 | -0.939 | 9.156 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | VAL | 0 | -0.013 | -0.001 | 11.318 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | ASN | 0 | -0.051 | -0.004 | 12.800 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | ASN | 0 | 0.070 | 0.014 | 9.953 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.908 | -0.942 | 12.698 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | SER | 0 | 0.050 | 0.012 | 14.037 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | PHE | 0 | 0.026 | 0.021 | 16.233 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | VAL | 0 | 0.073 | 0.035 | 14.055 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 205 | ILE | 0 | -0.006 | 0.008 | 17.192 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 206 | TYR | 0 | -0.028 | -0.015 | 19.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 207 | MET | 0 | -0.040 | -0.021 | 19.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 208 | PHE | 0 | -0.008 | -0.007 | 20.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 209 | VAL | 0 | 0.005 | -0.008 | 22.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 210 | VAL | 0 | -0.018 | 0.004 | 24.761 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 211 | HIS | 1 | 0.853 | 0.909 | 25.045 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 212 | PHE | 0 | 0.064 | 0.047 | 24.917 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 213 | THR | 0 | -0.002 | -0.035 | 27.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 214 | ILE | 0 | -0.006 | 0.012 | 29.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 215 | PRO | 0 | 0.016 | 0.012 | 29.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 216 | MET | 0 | -0.014 | 0.012 | 28.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 217 | ILE | 0 | 0.000 | 0.000 | 32.805 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 218 | ILE | 0 | 0.010 | 0.003 | 35.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 219 | ILE | 0 | 0.015 | 0.008 | 34.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 220 | PHE | 0 | -0.015 | -0.016 | 34.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 221 | PHE | 0 | -0.003 | 0.013 | 38.505 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 222 | CYS | 0 | -0.062 | -0.026 | 40.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 223 | TYR | 0 | 0.044 | -0.007 | 39.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 224 | GLY | 0 | 0.021 | 0.023 | 42.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 225 | GLN | 0 | 0.015 | 0.002 | 43.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 226 | LEU | 0 | -0.025 | 0.008 | 45.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 227 | VAL | 0 | 0.001 | -0.015 | 46.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 228 | PHE | 0 | -0.025 | 0.004 | 47.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 229 | THR | 0 | 0.030 | 0.001 | 49.634 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 230 | VAL | 0 | -0.021 | -0.020 | 51.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 231 | LYS | 1 | 0.844 | 0.904 | 50.143 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 232 | GLU | -1 | -0.923 | -0.943 | 53.802 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 233 | ALA | 0 | 0.000 | -0.008 | 55.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 234 | ALA | 0 | -0.058 | -0.032 | 56.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 235 | ALA | 0 | 0.021 | 0.006 | 57.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 236 | GLN | 0 | -0.006 | 0.003 | 59.790 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 237 | GLN | 0 | -0.043 | -0.022 | 61.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 238 | GLN | 0 | -0.007 | -0.012 | 61.659 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 239 | GLU | -1 | -0.872 | -0.900 | 63.799 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 240 | SER | 0 | -0.010 | 0.011 | 63.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 241 | ALA | 0 | 0.085 | 0.014 | 63.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 242 | THR | 0 | -0.037 | -0.047 | 61.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 243 | THR | 0 | 0.011 | 0.000 | 58.628 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 244 | GLN | 0 | -0.001 | 0.013 | 57.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 245 | LYS | 1 | 0.809 | 0.892 | 56.910 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 246 | ALA | 0 | -0.007 | 0.007 | 55.255 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 247 | GLU | -1 | -0.766 | -0.864 | 52.223 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 248 | LYS | 1 | 0.946 | 0.986 | 50.731 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 249 | GLU | -1 | -0.812 | -0.893 | 51.039 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 250 | VAL | 0 | 0.004 | 0.007 | 48.511 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 251 | THR | 0 | 0.007 | -0.011 | 47.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 252 | ARG | 1 | 0.754 | 0.851 | 46.249 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 253 | MET | 0 | -0.021 | -0.014 | 44.695 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 254 | VAL | 0 | 0.027 | 0.016 | 42.568 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 255 | ILE | 0 | -0.003 | 0.002 | 41.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 256 | ILE | 0 | -0.004 | -0.007 | 40.216 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 257 | TYR | 0 | -0.022 | -0.010 | 39.008 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 258 | VAL | 0 | 0.011 | 0.017 | 36.313 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 259 | ILE | 0 | -0.002 | -0.003 | 35.322 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 260 | ALA | 0 | 0.013 | 0.009 | 34.511 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 261 | PHE | 0 | 0.029 | 0.008 | 30.694 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 262 | LEU | 0 | -0.008 | -0.015 | 30.822 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 263 | ILE | 0 | -0.004 | -0.008 | 29.538 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 264 | CYS | 0 | -0.054 | -0.003 | 28.625 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 265 | TRP | 0 | 0.020 | 0.004 | 24.698 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 266 | VAL | 0 | 0.010 | 0.014 | 25.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 267 | PRO | 0 | -0.009 | 0.024 | 24.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 268 | TYR | 0 | 0.015 | -0.011 | 18.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 269 | ALA | 0 | 0.012 | 0.020 | 19.841 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 270 | SER | 0 | -0.033 | -0.040 | 20.573 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 271 | VAL | 0 | 0.001 | 0.002 | 16.768 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 272 | ALA | 0 | 0.024 | 0.011 | 15.830 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 273 | PHE | 0 | -0.006 | 0.004 | 15.763 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 274 | TYR | 0 | -0.039 | -0.022 | 15.990 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 275 | ILE | 0 | -0.023 | -0.011 | 11.191 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 276 | PHE | 0 | -0.020 | 0.003 | 12.198 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 277 | THR | 0 | -0.044 | -0.023 | 13.517 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 278 | HIS | 0 | -0.081 | -0.033 | 13.457 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 279 | GLN | 0 | 0.044 | 0.010 | 8.298 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 280 | GLY | 0 | -0.024 | -0.008 | 7.326 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 281 | SER | 0 | -0.019 | -0.005 | 7.432 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 283 | PHE | 0 | 0.023 | 0.012 | 9.182 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 284 | GLY | 0 | 0.030 | 0.017 | 11.396 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 285 | PRO | 0 | 0.061 | 0.020 | 13.618 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 286 | ILE | 0 | 0.022 | 0.001 | 15.220 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 287 | PHE | 0 | -0.013 | -0.008 | 15.413 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 288 | MET | 0 | 0.032 | 0.015 | 10.694 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 289 | THR | 0 | -0.031 | -0.018 | 16.937 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 290 | ILE | 0 | 0.010 | 0.013 | 20.126 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 291 | PRO | 0 | 0.004 | -0.007 | 19.544 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 292 | ALA | 0 | 0.010 | 0.015 | 20.991 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 293 | PHE | 0 | -0.014 | 0.002 | 22.890 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 294 | PHE | 0 | 0.035 | 0.023 | 25.878 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 295 | ALA | 0 | 0.044 | 0.025 | 25.069 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 296 | LYS | 1 | 0.858 | 0.927 | 21.559 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 297 | SER | 0 | -0.008 | -0.023 | 28.204 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 298 | ALA | 0 | -0.004 | 0.005 | 30.388 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 299 | ALA | 0 | 0.023 | 0.017 | 31.076 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 300 | ILE | 0 | -0.065 | -0.019 | 32.890 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 301 | TYR | 0 | -0.034 | -0.029 | 32.167 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 302 | ASN | 0 | 0.055 | 0.019 | 33.109 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 303 | PRO | 0 | 0.042 | 0.028 | 36.719 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 304 | VAL | 0 | -0.018 | 0.000 | 39.563 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 305 | ILE | 0 | 0.022 | 0.001 | 38.388 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 306 | TYR | 0 | 0.005 | -0.008 | 37.172 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 307 | ILE | 0 | -0.030 | -0.004 | 41.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 308 | MET | 0 | -0.010 | -0.005 | 43.665 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 309 | MET | 0 | -0.024 | -0.014 | 43.809 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 310 | ASN | 0 | 0.035 | 0.043 | 46.604 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 311 | LYS | 1 | 0.925 | 0.971 | 48.199 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 312 | GLN | 0 | 0.021 | -0.013 | 51.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 313 | PHE | 0 | 0.037 | 0.017 | 47.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 314 | ARG | 1 | 0.897 | 0.969 | 49.652 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 315 | ASN | 0 | -0.030 | -0.028 | 50.996 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 316 | CYS | 0 | -0.047 | -0.016 | 52.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 317 | MET | 0 | 0.009 | -0.001 | 45.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 318 | LEU | 0 | -0.002 | 0.014 | 51.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 319 | THR | 0 | 0.009 | 0.001 | 54.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 320 | THR | 0 | -0.026 | -0.016 | 52.281 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 321 | ILE | 0 | 0.007 | 0.008 | 49.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 322 | CYS | 0 | -0.082 | -0.027 | 52.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 323 | CYS | 0 | -0.027 | -0.011 | 56.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 324 | GLY | 0 | 0.013 | 0.011 | 57.754 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 325 | LYS | 1 | 0.925 | 0.964 | 59.669 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 326 | ASN | 0 | 0.015 | 0.010 | 57.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 2012 | VAL | 0 | 0.027 | 0.017 | 90.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 2013 | ILE | 0 | -0.020 | -0.014 | 89.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 2014 | PHE | 0 | -0.014 | 0.002 | 83.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 2015 | LYS | 1 | 0.972 | 0.985 | 84.757 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 2016 | LYS | 1 | 0.817 | 0.913 | 75.220 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 2017 | VAL | 0 | -0.010 | 0.002 | 81.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 2018 | SER | 0 | 0.002 | 0.005 | 78.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 2019 | ARG | 1 | 0.939 | 0.959 | 71.253 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 2020 | ASP | -1 | -0.873 | -0.952 | 77.515 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 2021 | LYS | 1 | 0.903 | 0.961 | 79.100 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 2022 | SER | 0 | 0.034 | 0.043 | 80.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 2023 | VAL | 0 | 0.059 | 0.027 | 79.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 2024 | THR | 0 | -0.059 | -0.046 | 81.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 2025 | ILE | 0 | 0.009 | 0.016 | 79.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 2026 | TYR | 0 | 0.002 | -0.021 | 82.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 2027 | LEU | 0 | 0.025 | 0.005 | 80.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 2028 | GLY | 0 | 0.031 | 0.016 | 85.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 2029 | LYS | 1 | 0.828 | 0.910 | 84.782 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 2030 | ARG | 1 | 0.903 | 0.961 | 78.318 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 2031 | ASP | -1 | -0.792 | -0.868 | 80.578 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 2032 | TYR | 0 | -0.036 | -0.023 | 80.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 2033 | VAL | 0 | -0.002 | 0.000 | 80.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 2034 | ASP | -1 | -0.788 | -0.898 | 77.710 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 2035 | HIS | 0 | 0.000 | 0.000 | 81.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 2036 | VAL | 0 | 0.040 | 0.019 | 79.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 2037 | SER | 0 | -0.003 | 0.011 | 80.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 2038 | GLN | 0 | 0.005 | -0.004 | 82.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 2039 | VAL | 0 | 0.024 | 0.009 | 78.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 2040 | GLU | -1 | -0.824 | -0.899 | 81.983 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 2041 | PRO | 0 | -0.035 | -0.017 | 82.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 2042 | VAL | 0 | 0.013 | -0.002 | 79.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 2043 | ASP | -1 | -0.827 | -0.921 | 82.846 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 2044 | GLY | 0 | 0.001 | -0.005 | 85.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 2045 | VAL | 0 | -0.010 | -0.001 | 86.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 2046 | VAL | 0 | -0.032 | -0.021 | 82.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 2047 | LEU | 0 | -0.009 | 0.007 | 85.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 2048 | VAL | 0 | -0.025 | -0.023 | 84.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 2049 | ASP | -1 | -0.819 | -0.902 | 85.410 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 2050 | PRO | 0 | 0.051 | 0.012 | 86.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 2051 | GLU | -1 | -0.841 | -0.912 | 87.220 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 2052 | LEU | 0 | -0.074 | -0.033 | 82.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 2053 | VAL | 0 | -0.078 | -0.034 | 81.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 2054 | LYS | 1 | 0.866 | 0.927 | 82.933 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 2055 | GLY | 0 | 0.007 | 0.005 | 82.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 2056 | LYS | 1 | 0.762 | 0.864 | 77.217 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 2057 | LYS | 1 | 0.916 | 0.956 | 75.393 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 2058 | VAL | 0 | -0.014 | -0.003 | 78.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 2059 | TYR | 0 | 0.017 | -0.001 | 75.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 2060 | VAL | 0 | -0.023 | -0.002 | 77.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 2061 | THR | 0 | -0.057 | -0.039 | 73.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 2062 | LEU | 0 | 0.019 | 0.007 | 74.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 2063 | THR | 0 | -0.041 | -0.025 | 68.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 2064 | CYS | 0 | -0.050 | -0.027 | 70.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 2065 | ALA | 0 | 0.022 | 0.002 | 65.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 2066 | PHE | 0 | 0.044 | 0.022 | 61.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 2067 | ARG | 1 | 0.737 | 0.823 | 62.293 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 2068 | TYR | 0 | 0.024 | -0.015 | 55.498 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 2069 | GLY | 0 | 0.061 | 0.049 | 56.909 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 2070 | GLN | 0 | -0.118 | -0.065 | 56.514 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 2071 | GLU | -1 | -0.851 | -0.940 | 57.712 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 2072 | ASP | -1 | -0.836 | -0.940 | 57.021 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 2073 | ILE | 0 | 0.013 | 0.004 | 52.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 2074 | ASP | -1 | -0.845 | -0.929 | 52.395 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 2075 | VAL | 0 | -0.021 | -0.005 | 53.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 2076 | MET | 0 | -0.165 | -0.085 | 53.474 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 2077 | GLY | 0 | 0.038 | 0.035 | 49.670 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 2078 | LEU | 0 | -0.054 | -0.024 | 46.479 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 2079 | THR | 0 | 0.043 | 0.014 | 50.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 2080 | PHE | 0 | -0.043 | -0.006 | 53.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 2081 | ARG | 1 | 0.829 | 0.902 | 56.713 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 2082 | ARG | 1 | 0.923 | 0.967 | 59.184 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 2083 | ASP | -1 | -0.780 | -0.887 | 60.930 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 2084 | LEU | 0 | -0.016 | -0.006 | 64.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 2085 | TYR | 0 | 0.043 | 0.018 | 66.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 2086 | PHE | 0 | 0.007 | 0.004 | 68.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 2087 | SER | 0 | 0.038 | 0.030 | 70.392 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 2088 | ARG | 1 | 0.844 | 0.902 | 69.127 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 2089 | VAL | 0 | 0.044 | 0.016 | 74.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 2090 | GLN | 0 | -0.012 | 0.000 | 78.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 2091 | VAL | 0 | 0.004 | -0.016 | 80.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 2092 | TYR | 0 | -0.027 | 0.021 | 82.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 2093 | PRO | 0 | 0.023 | -0.008 | 82.837 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 2094 | PRO | 0 | 0.035 | 0.003 | 84.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 2095 | VAL | 0 | 0.017 | 0.013 | 83.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 2096 | GLY | 0 | -0.003 | 0.014 | 86.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 2097 | ALA | 0 | -0.047 | -0.029 | 87.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 2098 | MET | 0 | 0.012 | 0.007 | 87.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 2099 | SER | 0 | 0.032 | 0.013 | 89.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 2100 | VAL | 0 | -0.003 | 0.001 | 92.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 2101 | LEU | 0 | 0.002 | 0.002 | 91.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 2102 | THR | 0 | 0.017 | 0.012 | 90.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 2103 | GLN | 0 | 0.090 | 0.036 | 93.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 2104 | LEU | 0 | -0.043 | -0.009 | 88.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 2105 | GLN | 0 | 0.006 | -0.011 | 87.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 2106 | GLU | -1 | -0.891 | -0.936 | 92.411 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 2107 | SER | 0 | -0.043 | -0.028 | 95.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 2108 | LEU | 0 | -0.022 | -0.023 | 89.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 2109 | LEU | 0 | -0.008 | 0.001 | 92.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 2110 | LYS | 1 | 0.934 | 0.979 | 95.007 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 2111 | LYS | 1 | 0.853 | 0.939 | 95.546 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 2112 | LEU | 0 | -0.066 | -0.031 | 90.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 2113 | GLY | 0 | 0.034 | 0.018 | 94.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 2114 | ASP | -1 | -0.812 | -0.909 | 94.559 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 2115 | ASN | 0 | -0.062 | -0.025 | 89.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 2116 | THR | 0 | -0.007 | -0.014 | 89.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 2117 | TYR | 0 | -0.004 | -0.007 | 86.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 2118 | PRO | 0 | 0.021 | 0.006 | 87.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 2119 | PHE | 0 | -0.014 | -0.011 | 82.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 2120 | LEU | 0 | 0.000 | -0.008 | 84.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 2121 | LEU | 0 | -0.033 | -0.003 | 78.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 2122 | THR | 0 | 0.041 | 0.020 | 79.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 2123 | PHE | 0 | -0.027 | -0.024 | 76.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 2124 | PRO | 0 | 0.000 | 0.011 | 74.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 2125 | ASP | -1 | -0.793 | -0.898 | 76.703 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 2126 | TYR | 0 | 0.024 | 0.020 | 70.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 2127 | LEU | 0 | -0.039 | -0.017 | 70.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 2128 | PRO | 0 | 0.029 | 0.023 | 68.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 2129 | CYS | 0 | 0.033 | 0.022 | 71.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 2130 | SER | 0 | -0.078 | -0.034 | 71.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 2131 | VAL | 0 | 0.066 | 0.040 | 68.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 2132 | MET | 0 | -0.010 | -0.001 | 67.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 2133 | LEU | 0 | 0.008 | 0.005 | 62.206 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 2134 | GLN | 0 | -0.029 | -0.018 | 65.477 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 2135 | PRO | 0 | -0.013 | -0.005 | 62.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 2136 | ALA | 0 | -0.008 | -0.010 | 61.370 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 2137 | PRO | 0 | 0.056 | 0.035 | 63.382 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 2138 | GLN | 0 | 0.036 | 0.007 | 58.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 2139 | ASP | -1 | -0.818 | -0.856 | 58.295 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 2140 | VAL | 0 | 0.036 | 0.015 | 59.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 2141 | GLY | 0 | -0.030 | -0.012 | 58.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 2142 | LYS | 1 | 0.841 | 0.915 | 55.123 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 2143 | SER | 0 | 0.018 | 0.012 | 59.567 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 2144 | CYS | 0 | -0.073 | -0.038 | 60.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 2145 | GLY | 0 | 0.003 | -0.001 | 62.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 2146 | VAL | 0 | 0.009 | 0.015 | 65.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 2147 | ASP | -1 | -0.829 | -0.878 | 67.590 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 2148 | PHE | 0 | 0.034 | 0.022 | 70.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 2149 | GLU | -1 | -0.785 | -0.889 | 69.909 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 2150 | VAL | 0 | 0.051 | 0.038 | 73.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 2151 | LYS | 1 | 0.814 | 0.898 | 70.153 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 2152 | ALA | 0 | 0.056 | 0.041 | 75.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 2153 | PHE | 0 | -0.016 | -0.016 | 72.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 2154 | ALA | 0 | 0.063 | 0.042 | 76.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 2155 | SER | 0 | -0.024 | -0.020 | 73.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 2156 | ASP | -1 | -0.736 | -0.850 | 74.148 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 2157 | ILE | 0 | 0.001 | 0.006 | 69.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 2158 | THR | 0 | -0.024 | -0.025 | 70.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 2159 | ASP | -1 | -0.798 | -0.877 | 71.692 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 2160 | PRO | 0 | 0.019 | 0.011 | 67.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 2161 | GLU | -1 | -0.950 | -0.948 | 63.943 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 2162 | GLU | -1 | -0.883 | -0.942 | 65.866 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 2163 | ASP | -1 | -0.792 | -0.860 | 61.073 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 2164 | LYS | 1 | 0.821 | 0.902 | 60.006 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 2165 | ILE | 0 | 0.030 | 0.013 | 64.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 2166 | PRO | 0 | 0.010 | 0.000 | 67.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 2167 | LYS | 1 | 0.957 | 0.963 | 63.699 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 2168 | LYS | 1 | 0.902 | 0.950 | 70.444 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 2169 | SER | 0 | 0.059 | 0.032 | 73.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 2170 | SER | 0 | -0.055 | 0.001 | 72.465 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 2171 | VAL | 0 | -0.008 | -0.011 | 74.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 2172 | ARG | 1 | 0.897 | 0.949 | 68.586 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 2173 | LEU | 0 | -0.006 | -0.020 | 75.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 2174 | LEU | 0 | 0.000 | 0.019 | 72.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 2175 | ILE | 0 | -0.010 | 0.000 | 75.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 2176 | ARG | 1 | 0.774 | 0.842 | 75.455 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 2177 | LYS | 1 | 0.847 | 0.934 | 74.923 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 2178 | VAL | 0 | -0.006 | -0.015 | 76.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 2179 | GLN | 0 | 0.041 | 0.009 | 76.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 2180 | HIS | 0 | -0.016 | -0.004 | 80.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 2181 | ALA | 0 | 0.009 | 0.000 | 82.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 2182 | PRO | 0 | -0.019 | -0.008 | 83.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 2183 | PRO | 0 | -0.027 | -0.019 | 86.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 2184 | GLU | -1 | -0.948 | -0.966 | 87.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 2185 | MET | 0 | -0.056 | -0.014 | 86.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 2186 | GLY | 0 | 0.039 | 0.017 | 84.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 2187 | PRO | 0 | 0.000 | -0.009 | 83.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 2188 | GLN | 0 | -0.025 | -0.027 | 84.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 2189 | PRO | 0 | 0.016 | 0.013 | 80.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 2190 | SER | 0 | -0.034 | -0.032 | 81.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 2191 | ALA | 0 | -0.014 | 0.016 | 76.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 2192 | GLU | -1 | -0.843 | -0.924 | 78.160 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 2193 | ALA | 0 | -0.028 | -0.007 | 74.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 2194 | SER | 0 | 0.006 | -0.003 | 75.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 2195 | TRP | 0 | -0.031 | -0.019 | 70.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 2196 | GLN | 0 | -0.013 | -0.015 | 71.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 2197 | PHE | 0 | -0.047 | -0.030 | 68.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 2198 | PHE | 0 | 0.003 | 0.001 | 65.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 2199 | MET | 0 | -0.016 | 0.008 | 67.434 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 2200 | SER | 0 | -0.003 | 0.001 | 69.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 2201 | ASP | -1 | -0.782 | -0.892 | 72.710 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 2202 | LYS | 1 | 0.853 | 0.928 | 74.377 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 2203 | PRO | 0 | 0.019 | 0.019 | 75.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 2204 | LEU | 0 | -0.023 | -0.021 | 74.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 2205 | ASN | 0 | -0.023 | -0.010 | 76.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 2206 | LEU | 0 | -0.032 | -0.018 | 75.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 2207 | SER | 0 | 0.056 | 0.032 | 78.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 2208 | VAL | 0 | -0.051 | -0.031 | 77.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 2209 | SER | 0 | 0.047 | 0.024 | 80.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 2210 | LEU | 0 | -0.037 | -0.011 | 79.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 2211 | SER | 0 | -0.009 | -0.004 | 83.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 2212 | LYS | 1 | 0.876 | 0.909 | 85.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 2213 | GLU | -1 | -0.822 | -0.893 | 80.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 2214 | ILE | 0 | -0.015 | -0.017 | 81.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 2215 | TYR | 0 | 0.028 | 0.011 | 81.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 2216 | PHE | 0 | 0.008 | -0.001 | 81.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 2217 | HIS | 0 | -0.018 | -0.018 | 77.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 2218 | GLY | 0 | -0.021 | -0.011 | 81.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 2219 | GLU | -1 | -0.803 | -0.870 | 83.001 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 2220 | PRO | 0 | -0.032 | -0.026 | 82.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 2221 | ILE | 0 | 0.017 | 0.009 | 78.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 2222 | PRO | 0 | -0.052 | -0.020 | 81.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 2223 | VAL | 0 | 0.018 | 0.004 | 78.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 2224 | THR | 0 | 0.001 | 0.002 | 82.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 2225 | VAL | 0 | -0.018 | 0.009 | 78.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 2226 | THR | 0 | -0.006 | -0.016 | 81.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 2227 | VAL | 0 | 0.012 | 0.005 | 78.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 2228 | THR | 0 | 0.000 | -0.012 | 81.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 2229 | ASN | 0 | -0.003 | 0.011 | 78.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 2230 | ASN | 0 | 0.009 | 0.000 | 80.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 2231 | THR | 0 | -0.054 | -0.030 | 75.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 2232 | ASP | -1 | -0.859 | -0.950 | 75.898 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 2233 | LYS | 1 | 0.822 | 0.936 | 69.238 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 2234 | VAL | 0 | -0.004 | 0.009 | 74.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 2235 | VAL | 0 | 0.011 | 0.012 | 74.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 2236 | LYS | 1 | 0.928 | 0.948 | 71.526 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 2237 | LYS | 1 | 0.838 | 0.910 | 71.536 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 2238 | ILE | 0 | 0.021 | 0.018 | 74.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 2239 | LYS | 1 | 0.891 | 0.936 | 69.577 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 2240 | VAL | 0 | 0.030 | 0.019 | 73.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 2241 | SER | 0 | -0.015 | -0.031 | 70.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 2242 | VAL | 0 | 0.006 | 0.021 | 72.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 2243 | GLU | -1 | -0.818 | -0.937 | 67.736 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 2244 | GLN | 0 | 0.007 | 0.006 | 68.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 2245 | ILE | 0 | -0.016 | -0.019 | 65.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 2246 | ALA | 0 | -0.010 | -0.013 | 63.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 2247 | ASN | 0 | 0.001 | 0.005 | 63.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 2248 | VAL | 0 | -0.041 | -0.027 | 60.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 2249 | VAL | 0 | 0.055 | 0.035 | 61.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 2250 | LEU | 0 | -0.081 | -0.042 | 57.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 2251 | TYR | 0 | -0.019 | -0.005 | 55.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 2252 | SER | 0 | 0.026 | 0.014 | 55.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 2253 | SER | 0 | -0.035 | -0.025 | 57.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 2254 | ASP | -1 | -0.837 | -0.874 | 55.974 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 2255 | TYR | 0 | 0.059 | 0.021 | 59.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 2256 | TYR | 0 | -0.069 | -0.074 | 56.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 2257 | VAL | 0 | 0.023 | 0.032 | 61.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 2258 | LYS | 1 | 0.910 | 0.953 | 61.799 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 2259 | PRO | 0 | 0.030 | 0.029 | 65.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 2260 | VAL | 0 | 0.003 | 0.008 | 68.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 2261 | ALA | 0 | 0.023 | 0.020 | 70.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 2262 | SER | 0 | -0.075 | -0.053 | 71.495 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 2263 | GLU | -1 | -0.867 | -0.905 | 73.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 2264 | GLU | -1 | -0.826 | -0.900 | 72.150 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 2265 | THR | 0 | -0.009 | -0.022 | 76.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 2266 | GLN | 0 | 0.008 | -0.020 | 75.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 2267 | GLU | -1 | -0.828 | -0.858 | 78.665 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 2268 | LYS | 1 | 0.978 | 0.989 | 78.688 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 2269 | VAL | 0 | -0.001 | 0.000 | 79.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 2270 | GLN | 0 | 0.000 | -0.008 | 79.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 2271 | PRO | 0 | 0.058 | 0.021 | 79.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 2272 | ASN | 0 | -0.027 | -0.007 | 81.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 2273 | SER | 0 | -0.016 | 0.007 | 83.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 2274 | THR | 0 | 0.011 | 0.004 | 83.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 2275 | LEU | 0 | -0.030 | -0.018 | 82.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 2276 | THR | 0 | 0.006 | 0.002 | 84.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 2277 | LYS | 1 | 0.819 | 0.900 | 83.175 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 2278 | THR | 0 | 0.001 | -0.014 | 84.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 2279 | LEU | 0 | -0.013 | 0.007 | 79.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 2280 | VAL | 0 | 0.019 | 0.010 | 81.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 2281 | LEU | 0 | -0.012 | 0.004 | 76.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 2282 | VAL | 0 | 0.029 | 0.000 | 79.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 2283 | PRO | 0 | -0.015 | 0.010 | 75.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 2284 | LEU | 0 | 0.045 | 0.015 | 76.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 2285 | LEU | 0 | 0.012 | -0.003 | 73.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 2286 | ALA | 0 | -0.023 | -0.020 | 73.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 2287 | ASN | 0 | 0.045 | 0.016 | 74.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 2288 | ASN | 0 | -0.063 | -0.022 | 70.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 2289 | ARG | 1 | 0.847 | 0.900 | 69.500 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 2290 | GLU | -1 | -0.866 | -0.939 | 66.392 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 2291 | ARG | 1 | 0.812 | 0.903 | 64.299 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 2292 | ARG | 1 | 0.834 | 0.885 | 56.524 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 2293 | GLY | 0 | -0.012 | -0.019 | 62.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 2294 | ILE | 0 | -0.043 | -0.008 | 62.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 2295 | ALA | 0 | 0.058 | 0.038 | 66.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 2296 | LEU | 0 | -0.027 | -0.032 | 68.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 2297 | ASP | -1 | -0.674 | -0.819 | 71.149 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 2298 | GLY | 0 | -0.022 | -0.009 | 72.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 2299 | LYS | 1 | 0.863 | 0.928 | 71.540 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 2300 | ILE | 0 | -0.020 | 0.005 | 73.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 2301 | LYS | 1 | 0.915 | 0.930 | 74.152 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 2302 | HIS | 0 | -0.016 | -0.014 | 69.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 2303 | GLU | -1 | -0.819 | -0.882 | 73.612 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 2304 | ASP | -1 | -0.802 | -0.881 | 75.419 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 2305 | THR | 0 | -0.013 | -0.006 | 73.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 2306 | ASN | 0 | -0.034 | -0.021 | 76.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 2307 | LEU | 0 | -0.010 | -0.022 | 72.352 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 2308 | ALA | 0 | 0.013 | 0.018 | 71.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 2309 | SER | 0 | 0.046 | 0.022 | 73.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 2310 | SER | 0 | -0.044 | -0.025 | 74.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 2311 | THR | 0 | -0.015 | -0.001 | 71.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 2312 | ILE | 0 | -0.004 | 0.001 | 74.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 2313 | ILE | 0 | -0.016 | -0.013 | 70.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 2314 | LYS | 1 | 0.830 | 0.908 | 75.193 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 2315 | GLU | -1 | -0.930 | -0.972 | 76.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 2316 | GLY | 0 | -0.023 | -0.006 | 75.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 2317 | ILE | 0 | -0.023 | -0.009 | 72.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 2318 | ASP | -1 | -0.901 | -0.942 | 72.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 2319 | ARG | 1 | 0.794 | 0.872 | 69.084 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 2320 | THR | 0 | 0.016 | 0.009 | 64.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 2321 | VAL | 0 | 0.012 | 0.007 | 67.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 2322 | MET | 0 | -0.023 | -0.001 | 63.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 2323 | GLY | 0 | 0.019 | -0.019 | 64.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 2324 | ILE | 0 | -0.073 | -0.042 | 64.129 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 2325 | LEU | 0 | 0.000 | 0.024 | 66.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 2326 | VAL | 0 | -0.020 | -0.021 | 67.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 2327 | SER | 0 | 0.051 | 0.017 | 69.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 2328 | TYR | 0 | -0.068 | -0.044 | 70.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 2329 | HIS | 0 | 0.014 | 0.005 | 68.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 2330 | ILE | 0 | -0.016 | 0.003 | 72.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 2331 | LYS | 1 | 0.846 | 0.922 | 66.633 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 2332 | VAL | 0 | -0.006 | 0.001 | 72.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 2333 | LYS | 1 | 0.844 | 0.907 | 67.536 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 2334 | LEU | 0 | 0.008 | 0.000 | 71.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 2335 | THR | 0 | -0.012 | -0.013 | 68.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 2336 | VAL | 0 | -0.003 | 0.003 | 70.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 2337 | SER | 0 | -0.073 | -0.040 | 69.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 2338 | GLY | 0 | 0.066 | 0.024 | 69.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 2339 | PHE | 0 | 0.074 | 0.032 | 68.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 2340 | LEU | 0 | -0.067 | -0.025 | 68.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 2341 | GLY | 0 | 0.023 | 0.008 | 66.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 2342 | GLU | -1 | -0.763 | -0.915 | 64.053 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 2343 | LEU | 0 | -0.130 | -0.037 | 63.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 2344 | THR | 0 | -0.037 | -0.032 | 61.545 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 2345 | SER | 0 | -0.023 | -0.016 | 63.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 2346 | SER | 0 | -0.004 | 0.002 | 65.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 2347 | GLU | -1 | -0.883 | -0.926 | 65.702 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 2348 | VAL | 0 | -0.006 | 0.021 | 66.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 2349 | ALA | 0 | 0.003 | -0.016 | 68.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 2350 | THR | 0 | 0.021 | 0.017 | 69.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 2351 | GLU | -1 | -0.903 | -0.943 | 67.817 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 2352 | VAL | 0 | 0.014 | 0.008 | 72.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 2353 | PRO | 0 | 0.006 | -0.001 | 73.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 2354 | PHE | 0 | 0.016 | 0.008 | 75.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 2355 | ARG | 1 | 0.838 | 0.912 | 76.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 2356 | LEU | 0 | 0.009 | 0.008 | 76.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 2357 | MET | 0 | -0.035 | -0.011 | 77.977 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 2358 | HIS | 0 | 0.012 | 0.003 | 78.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 2359 | PRO | 0 | 0.013 | 0.006 | 83.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 2360 | GLN | 0 | 0.049 | 0.019 | 86.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 2361 | PRO | 0 | -0.042 | -0.006 | 87.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |