FMODB ID: 897VY
Calculation Name: 1SH0-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1SH0
Chain ID: B
UniProt ID: Q70ET3
Base Structure: X-ray
Registration Date: 2023-09-23
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 | OptAll |
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 | 503 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9993520.699405 |
---|---|
FMO2-HF: Nuclear repulsion | 9795061.14448 |
FMO2-HF: Total energy | -198459.554925 |
FMO2-MP2: Total energy | -199033.937962 |
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:5:LYS)
Summations of interaction energy for
fragment #1(B:5:LYS)
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. |
-50.753 | -45.665 | 15.671 | -9.618 | -11.142 | -0.113 |
Interaction energy analysis for fragmet #1(B:5:LYS)
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 | 7 | THR | 0 | -0.021 | -0.010 | 3.870 | -2.211 | -0.137 | -0.021 | -1.156 | -0.897 | 0.002 |
4 | B | 8 | TYR | 0 | 0.002 | -0.040 | 6.642 | 2.109 | 2.109 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 9 | CYS | 0 | -0.058 | -0.021 | 9.343 | 1.557 | 1.557 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 10 | GLY | 0 | 0.073 | 0.057 | 10.839 | 1.452 | 1.452 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 11 | ALA | 0 | 0.043 | 0.028 | 9.443 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 12 | PRO | 0 | -0.005 | 0.000 | 5.072 | -2.222 | -2.222 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 13 | ILE | 0 | -0.028 | -0.001 | 2.593 | -0.308 | 0.774 | 0.215 | -0.255 | -1.043 | -0.001 |
10 | B | 14 | LEU | 0 | 0.014 | 0.000 | 2.444 | -22.173 | -20.456 | 5.767 | -2.953 | -4.531 | -0.038 |
11 | B | 15 | GLY | 0 | -0.028 | -0.024 | 1.843 | -44.805 | -44.860 | 9.704 | -5.177 | -4.472 | -0.075 |
12 | B | 16 | PRO | 0 | 0.066 | 0.032 | 3.606 | 6.340 | 6.610 | 0.006 | -0.077 | -0.199 | -0.001 |
13 | B | 17 | GLY | 0 | -0.045 | 0.033 | 7.167 | -1.037 | -1.037 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 18 | SER | 0 | -0.084 | -0.073 | 10.204 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 19 | ALA | 0 | 0.004 | 0.011 | 12.813 | 1.669 | 1.669 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 20 | PRO | 0 | -0.004 | 0.008 | 15.618 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 21 | LYS | 1 | 0.928 | 0.948 | 18.986 | 13.961 | 13.961 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 22 | LEU | 0 | 0.024 | 0.012 | 17.639 | 0.766 | 0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 23 | SER | 0 | -0.032 | -0.018 | 21.467 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 24 | THR | 0 | -0.038 | -0.039 | 25.303 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 25 | LYS | 1 | 0.795 | 0.903 | 27.571 | 10.948 | 10.948 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 26 | THR | 0 | -0.030 | -0.036 | 29.692 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 27 | LYS | 1 | 0.968 | 0.980 | 31.867 | 10.047 | 10.047 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 28 | PHE | 0 | -0.036 | -0.013 | 33.768 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 29 | TRP | 0 | -0.007 | -0.003 | 37.380 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 30 | ARG | 1 | 0.858 | 0.922 | 40.569 | 7.060 | 7.060 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 31 | SER | 0 | -0.044 | -0.040 | 43.833 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 32 | SER | 0 | 0.029 | 0.022 | 46.427 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 33 | THR | 0 | -0.069 | -0.075 | 48.325 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 34 | ALA | 0 | 0.005 | 0.017 | 50.380 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 35 | PRO | 0 | 0.000 | -0.008 | 49.360 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 36 | LEU | 0 | 0.014 | 0.017 | 42.245 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 37 | PRO | 0 | -0.012 | 0.001 | 46.937 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 38 | PRO | 0 | 0.050 | 0.022 | 45.634 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 39 | GLY | 0 | -0.006 | 0.008 | 43.007 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 40 | THR | 0 | -0.056 | -0.038 | 42.635 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 41 | TYR | 0 | -0.065 | -0.035 | 37.287 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 42 | GLU | -1 | -0.727 | -0.829 | 37.113 | -8.132 | -8.132 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 43 | PRO | 0 | -0.004 | 0.008 | 34.499 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 44 | ALA | 0 | 0.026 | 0.008 | 29.825 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 45 | TYR | 0 | -0.001 | -0.013 | 26.006 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 46 | LEU | 0 | -0.005 | -0.006 | 28.293 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 47 | GLY | 0 | 0.043 | 0.016 | 26.228 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 48 | GLY | 0 | 0.034 | 0.015 | 26.136 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 49 | LYS | 1 | 0.874 | 0.913 | 27.860 | 10.946 | 10.946 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 50 | ASP | -1 | -0.718 | -0.813 | 30.660 | -9.393 | -9.393 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 51 | PRO | 0 | 0.041 | 0.030 | 32.473 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 52 | ARG | 1 | 0.703 | 0.817 | 33.110 | 9.352 | 9.352 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 53 | VAL | 0 | -0.061 | -0.027 | 30.923 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 54 | LYS | 1 | 0.975 | 0.974 | 32.564 | 7.719 | 7.719 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 55 | GLY | 0 | 0.026 | 0.030 | 30.721 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 56 | GLY | 0 | 0.017 | 0.015 | 29.087 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 57 | PRO | 0 | 0.010 | 0.015 | 23.887 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 58 | SER | 0 | 0.022 | 0.013 | 19.952 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 59 | LEU | 0 | 0.041 | 0.012 | 21.586 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 60 | GLN | 0 | 0.099 | 0.038 | 16.368 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 61 | GLN | 0 | -0.109 | -0.041 | 17.545 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 62 | VAL | 0 | 0.023 | 0.010 | 19.740 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 63 | MET | 0 | -0.009 | 0.003 | 16.484 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 64 | ARG | 1 | 0.885 | 0.929 | 13.766 | 19.517 | 19.517 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 65 | ASP | -1 | -0.824 | -0.919 | 16.869 | -13.988 | -13.988 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 66 | GLN | 0 | -0.070 | -0.032 | 19.754 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 67 | LEU | 0 | 0.034 | 0.016 | 13.212 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 68 | LYS | 1 | 0.904 | 0.969 | 16.367 | 16.225 | 16.225 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 69 | PRO | 0 | -0.028 | -0.009 | 17.467 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 70 | PHE | 0 | -0.002 | -0.007 | 16.718 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 71 | THR | 0 | -0.062 | -0.039 | 12.753 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 72 | GLU | -1 | -0.807 | -0.894 | 15.633 | -13.482 | -13.482 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 73 | PRO | 0 | -0.012 | -0.010 | 18.666 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 74 | ARG | 1 | 0.763 | 0.884 | 19.759 | 14.350 | 14.350 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 75 | GLY | 0 | 0.044 | 0.018 | 22.301 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 76 | LYS | 1 | 0.833 | 0.910 | 24.996 | 8.772 | 8.772 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 77 | PRO | 0 | 0.027 | 0.022 | 25.773 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 78 | PRO | 0 | -0.006 | -0.012 | 28.327 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 79 | LYS | 1 | 0.956 | 0.986 | 31.873 | 7.515 | 7.515 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 80 | PRO | 0 | 0.047 | 0.016 | 31.064 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 81 | SER | 0 | 0.010 | 0.001 | 33.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 82 | VAL | 0 | -0.020 | -0.019 | 36.398 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 83 | LEU | 0 | 0.057 | 0.031 | 29.840 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 84 | GLU | -1 | -0.809 | -0.890 | 34.341 | -8.825 | -8.825 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 85 | ALA | 0 | -0.032 | -0.005 | 35.620 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 86 | ALA | 0 | 0.043 | 0.011 | 36.348 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 87 | LYS | 1 | 0.800 | 0.885 | 32.064 | 9.472 | 9.472 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 88 | LYS | 1 | 0.833 | 0.909 | 36.047 | 8.067 | 8.067 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 89 | THR | 0 | 0.015 | -0.012 | 39.182 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 90 | ILE | 0 | -0.024 | -0.010 | 36.208 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 91 | ILE | 0 | -0.025 | -0.012 | 35.698 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 92 | ASN | 0 | -0.019 | -0.023 | 39.632 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 93 | VAL | 0 | -0.005 | 0.004 | 42.632 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 94 | LEU | 0 | 0.005 | 0.009 | 37.935 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 95 | GLU | -1 | -0.809 | -0.902 | 41.797 | -7.520 | -7.520 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 96 | GLN | 0 | -0.121 | -0.057 | 44.103 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 97 | THR | 0 | -0.092 | -0.054 | 44.451 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 98 | ILE | 0 | -0.059 | -0.029 | 39.703 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 99 | ASP | -1 | -0.870 | -0.929 | 44.253 | -6.771 | -6.771 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 100 | PRO | 0 | -0.097 | -0.061 | 41.293 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 101 | PRO | 0 | -0.026 | 0.010 | 37.820 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 102 | ASP | -1 | -0.882 | -0.944 | 40.192 | -7.495 | -7.495 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 103 | LYS | 1 | 0.804 | 0.890 | 37.472 | 8.245 | 8.245 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 104 | TRP | 0 | -0.035 | -0.004 | 32.819 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 105 | SER | 0 | -0.025 | -0.040 | 34.579 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 106 | PHE | 0 | 0.045 | 0.004 | 28.988 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 107 | ALA | 0 | 0.060 | 0.037 | 33.071 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 108 | GLN | 0 | 0.053 | 0.056 | 35.634 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 109 | ALA | 0 | 0.031 | 0.027 | 30.514 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 110 | CYS | 0 | -0.056 | -0.023 | 31.101 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 111 | ALA | 0 | 0.007 | 0.001 | 32.129 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 112 | SER | 0 | -0.058 | -0.031 | 32.705 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 113 | LEU | 0 | -0.012 | 0.006 | 27.470 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 114 | ASP | -1 | -0.685 | -0.807 | 30.193 | -10.200 | -10.200 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 115 | LYS | 1 | 0.858 | 0.935 | 30.108 | 9.292 | 9.292 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 116 | THR | 0 | -0.083 | -0.064 | 31.048 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 117 | THR | 0 | -0.044 | -0.053 | 26.399 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 118 | SER | 0 | 0.002 | -0.011 | 21.914 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 119 | SER | 0 | 0.026 | 0.003 | 21.409 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 120 | GLY | 0 | 0.035 | 0.025 | 19.686 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 121 | HIS | 0 | 0.059 | 0.045 | 12.175 | 1.196 | 1.196 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 122 | PRO | 0 | 0.005 | -0.002 | 15.178 | 0.566 | 0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 123 | HIS | 0 | 0.026 | -0.009 | 16.567 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 124 | HIS | 0 | -0.030 | -0.015 | 15.402 | 1.321 | 1.321 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 125 | MET | 0 | 0.011 | 0.016 | 20.846 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 126 | ARG | 1 | 0.793 | 0.878 | 24.574 | 10.320 | 10.320 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 127 | LYS | 1 | 0.859 | 0.915 | 26.256 | 11.968 | 11.968 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 128 | ASN | 0 | -0.005 | -0.006 | 28.688 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 129 | ASP | -1 | -0.838 | -0.885 | 29.701 | -10.029 | -10.029 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 130 | CYS | 0 | -0.076 | -0.043 | 28.724 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 131 | TRP | 0 | 0.013 | 0.014 | 30.810 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 132 | ASN | 0 | 0.003 | -0.009 | 33.479 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 133 | GLY | 0 | 0.015 | 0.010 | 36.831 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 134 | GLU | -1 | -0.909 | -0.928 | 37.733 | -8.469 | -8.469 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 135 | SER | 0 | -0.004 | -0.014 | 33.635 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 136 | PHE | 0 | -0.010 | -0.023 | 28.996 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 137 | THR | 0 | -0.009 | -0.010 | 31.240 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 138 | GLY | 0 | 0.019 | 0.008 | 29.142 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 139 | LYS | 1 | 0.972 | 0.987 | 22.599 | 12.864 | 12.864 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 140 | LEU | 0 | -0.012 | -0.001 | 23.995 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 141 | ALA | 0 | 0.046 | 0.022 | 25.709 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 142 | ASP | -1 | -0.875 | -0.917 | 24.278 | -12.065 | -12.065 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 143 | GLN | 0 | -0.072 | -0.052 | 19.199 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 144 | ALA | 0 | 0.021 | 0.007 | 23.005 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 145 | SER | 0 | 0.030 | -0.005 | 25.875 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 146 | LYS | 1 | 0.903 | 0.957 | 21.544 | 13.996 | 13.996 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 147 | ALA | 0 | -0.002 | -0.015 | 22.787 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 148 | ASN | 0 | 0.015 | 0.024 | 24.050 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 149 | LEU | 0 | 0.034 | 0.018 | 26.757 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 150 | MET | 0 | -0.110 | -0.044 | 20.241 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 151 | PHE | 0 | 0.012 | 0.005 | 24.746 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 152 | GLU | -1 | -0.795 | -0.894 | 27.434 | -9.605 | -9.605 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 153 | GLU | -1 | -0.888 | -0.926 | 27.019 | -11.456 | -11.456 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 154 | GLY | 0 | 0.021 | 0.003 | 27.084 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 155 | LYS | 1 | 0.786 | 0.881 | 22.625 | 12.011 | 12.011 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 156 | ASN | 0 | -0.037 | -0.034 | 18.603 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 157 | MET | 0 | -0.090 | -0.050 | 17.549 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 158 | THR | 0 | 0.005 | 0.001 | 11.760 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 159 | PRO | 0 | 0.011 | 0.020 | 15.217 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 160 | VAL | 0 | -0.049 | -0.029 | 12.164 | -1.737 | -1.737 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 161 | TYR | 0 | -0.004 | -0.012 | 14.441 | 1.596 | 1.596 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 162 | THR | 0 | -0.009 | -0.013 | 14.620 | -1.774 | -1.774 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 163 | GLY | 0 | -0.002 | 0.008 | 15.718 | 1.120 | 1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 164 | ALA | 0 | -0.018 | -0.018 | 17.186 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 165 | LEU | 0 | 0.002 | -0.015 | 20.714 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 166 | LYS | 1 | 0.892 | 0.944 | 23.431 | 10.782 | 10.782 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 167 | ASP | -1 | -0.748 | -0.851 | 26.835 | -9.827 | -9.827 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 168 | GLU | -1 | -0.827 | -0.921 | 29.930 | -10.288 | -10.288 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 169 | LEU | 0 | 0.027 | 0.040 | 32.653 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 170 | VAL | 0 | -0.058 | -0.037 | 31.638 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 171 | LYS | 1 | 1.021 | 1.012 | 34.531 | 8.874 | 8.874 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 172 | THR | 0 | 0.104 | 0.043 | 35.267 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 173 | ASP | -1 | -0.782 | -0.892 | 33.775 | -9.512 | -9.512 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 174 | LYS | 1 | 0.803 | 0.923 | 29.717 | 10.103 | 10.103 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 175 | ILE | 0 | -0.056 | -0.030 | 30.783 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 176 | TYR | 0 | -0.008 | -0.048 | 33.067 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 177 | GLY | 0 | 0.024 | 0.034 | 33.937 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 178 | LYS | 1 | 0.845 | 0.920 | 24.283 | 11.862 | 11.862 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 179 | ILE | 0 | 0.020 | 0.018 | 26.807 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 180 | LYS | 1 | 0.767 | 0.861 | 26.209 | 9.587 | 9.587 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 181 | LYS | 1 | 0.819 | 0.913 | 25.211 | 11.695 | 11.695 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 182 | ARG | 1 | 0.912 | 0.943 | 24.389 | 9.962 | 9.962 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 183 | LEU | 0 | 0.021 | 0.018 | 18.011 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 184 | LEU | 0 | -0.063 | -0.023 | 21.409 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 185 | TRP | 0 | 0.020 | 0.010 | 15.201 | -1.195 | -1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 186 | GLY | 0 | 0.043 | 0.016 | 20.072 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 187 | SER | 0 | -0.002 | 0.000 | 19.024 | -0.738 | -0.738 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 188 | ASP | -1 | -0.744 | -0.837 | 17.342 | -16.471 | -16.471 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 189 | LEU | 0 | 0.044 | 0.015 | 19.459 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 190 | ALA | 0 | -0.004 | -0.003 | 19.870 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 191 | THR | 0 | -0.016 | -0.040 | 18.886 | 0.514 | 0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 192 | MET | 0 | -0.079 | -0.016 | 21.733 | 0.878 | 0.878 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 193 | ILE | 0 | 0.020 | 0.008 | 24.883 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 194 | ARG | 1 | 0.855 | 0.920 | 20.687 | 14.961 | 14.961 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 195 | CYS | 0 | -0.042 | -0.020 | 24.016 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 196 | ALA | 0 | -0.022 | -0.004 | 26.881 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 197 | ARG | 1 | 0.804 | 0.855 | 29.527 | 10.225 | 10.225 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 198 | ALA | 0 | -0.036 | 0.001 | 28.106 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 199 | PHE | 0 | 0.023 | -0.024 | 26.332 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 200 | GLY | 0 | 0.021 | 0.020 | 31.751 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 201 | GLY | 0 | 0.064 | 0.039 | 33.752 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 202 | LEU | 0 | 0.003 | 0.008 | 33.650 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 203 | MET | 0 | -0.088 | -0.044 | 31.291 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 204 | ASP | -1 | -0.831 | -0.922 | 35.950 | -8.306 | -8.306 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 205 | GLU | -1 | -0.780 | -0.874 | 39.254 | -7.136 | -7.136 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 206 | LEU | 0 | -0.038 | -0.043 | 35.616 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 207 | LYS | 1 | 0.760 | 0.865 | 37.316 | 8.534 | 8.534 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 208 | THR | 0 | -0.021 | -0.013 | 40.718 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 209 | HIS | 0 | 0.012 | 0.012 | 43.088 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 210 | CYS | 0 | -0.083 | -0.018 | 41.554 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 211 | VAL | 0 | 0.052 | 0.030 | 43.084 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 212 | THR | 0 | -0.039 | -0.012 | 46.309 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 213 | LEU | 0 | 0.000 | 0.001 | 40.697 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 214 | PRO | 0 | -0.023 | -0.011 | 40.238 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 215 | ILE | 0 | -0.003 | -0.001 | 36.351 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 216 | ARG | 1 | 0.857 | 0.909 | 38.880 | 7.297 | 7.297 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 217 | VAL | 0 | -0.052 | -0.028 | 34.798 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 218 | GLY | 0 | 0.027 | -0.008 | 38.035 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 219 | MET | 0 | -0.006 | 0.034 | 41.003 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 220 | ASN | 0 | -0.008 | -0.010 | 43.560 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 221 | MET | 0 | -0.026 | -0.019 | 45.631 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 222 | ASN | 0 | -0.016 | -0.019 | 47.265 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 223 | GLU | -1 | -0.914 | -0.944 | 50.153 | -6.254 | -6.254 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 224 | ASP | -1 | -0.794 | -0.900 | 47.197 | -6.680 | -6.680 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 225 | GLY | 0 | -0.019 | -0.015 | 48.424 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 226 | PRO | 0 | -0.016 | -0.007 | 49.301 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 227 | ILE | 0 | -0.009 | 0.004 | 51.481 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 228 | ILE | 0 | 0.023 | 0.009 | 45.549 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 229 | PHE | 0 | 0.008 | -0.022 | 46.328 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 230 | GLU | -1 | -0.796 | -0.863 | 50.873 | -5.687 | -5.687 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 231 | ARG | 1 | 0.949 | 0.990 | 50.876 | 6.070 | 6.070 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 232 | HIS | 0 | 0.033 | 0.023 | 45.223 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 233 | SER | 0 | -0.089 | -0.061 | 50.518 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 234 | ARG | 1 | 0.764 | 0.851 | 53.787 | 5.774 | 5.774 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 235 | TYR | 0 | -0.031 | 0.017 | 50.168 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 236 | ARG | 1 | 0.806 | 0.867 | 53.393 | 5.567 | 5.567 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 237 | TYR | 0 | -0.092 | -0.062 | 49.518 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 238 | HIS | 0 | 0.061 | 0.052 | 47.964 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 239 | TYR | 0 | -0.043 | -0.033 | 39.730 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 240 | ASP | -1 | -0.777 | -0.894 | 42.128 | -7.201 | -7.201 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 241 | ALA | 0 | -0.012 | 0.002 | 38.162 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 242 | ASP | -1 | -0.814 | -0.885 | 36.494 | -8.542 | -8.542 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 243 | TYR | 0 | -0.022 | -0.059 | 31.746 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 244 | SER | 0 | -0.013 | -0.006 | 30.137 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 245 | ARG | 1 | 0.737 | 0.848 | 22.545 | 12.446 | 12.446 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 246 | TRP | 0 | 0.131 | 0.079 | 25.991 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 247 | ASP | -1 | -0.715 | -0.801 | 23.789 | -12.216 | -12.216 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 248 | SER | 0 | -0.083 | -0.048 | 21.704 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 249 | THR | 0 | -0.082 | -0.051 | 22.266 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 250 | GLN | 0 | 0.015 | 0.018 | 23.789 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 251 | GLN | 0 | -0.009 | -0.029 | 22.543 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 252 | ARG | 1 | 0.814 | 0.883 | 16.706 | 17.408 | 17.408 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 253 | ALA | 0 | 0.007 | 0.008 | 21.954 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 254 | VAL | 0 | 0.008 | 0.002 | 24.690 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 255 | LEU | 0 | 0.009 | 0.003 | 22.535 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 256 | ALA | 0 | 0.034 | 0.018 | 23.989 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 257 | ALA | 0 | 0.009 | 0.013 | 25.778 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 258 | ALA | 0 | 0.000 | -0.016 | 28.529 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 259 | LEU | 0 | 0.019 | -0.003 | 24.348 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 260 | GLU | -1 | -0.843 | -0.905 | 28.322 | -9.628 | -9.628 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 261 | ILE | 0 | -0.012 | -0.005 | 30.403 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 262 | MET | 0 | -0.040 | -0.012 | 28.305 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 263 | VAL | 0 | -0.001 | 0.000 | 28.337 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 264 | LYS | 1 | 0.827 | 0.922 | 31.446 | 8.362 | 8.362 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 265 | PHE | 0 | -0.001 | 0.004 | 34.900 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 266 | SER | 0 | -0.014 | -0.013 | 32.758 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 267 | SER | 0 | 0.049 | 0.003 | 34.890 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 268 | GLU | -1 | -0.852 | -0.911 | 33.436 | -8.828 | -8.828 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 269 | PRO | 0 | 0.040 | 0.040 | 32.315 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 270 | HIS | 0 | -0.007 | -0.014 | 30.919 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 271 | LEU | 0 | -0.042 | -0.013 | 28.968 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 272 | ALA | 0 | 0.019 | -0.005 | 27.567 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 273 | GLN | 0 | -0.031 | -0.024 | 25.102 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 274 | VAL | 0 | 0.013 | 0.014 | 22.776 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 275 | VAL | 0 | 0.001 | 0.000 | 22.453 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 276 | ALA | 0 | 0.026 | 0.012 | 22.630 | -0.509 | -0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 277 | GLU | -1 | -0.848 | -0.906 | 21.069 | -14.090 | -14.090 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 278 | ASP | -1 | -0.743 | -0.833 | 18.252 | -16.962 | -16.962 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 279 | LEU | 0 | -0.080 | -0.043 | 17.724 | -1.078 | -1.078 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 280 | LEU | 0 | -0.038 | -0.005 | 19.087 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 281 | SER | 0 | -0.015 | -0.004 | 14.993 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 282 | PRO | 0 | -0.057 | -0.045 | 11.465 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 283 | SER | 0 | 0.016 | 0.028 | 12.367 | -0.980 | -0.980 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 284 | VAL | 0 | 0.006 | 0.010 | 9.228 | -1.433 | -1.433 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 285 | VAL | 0 | -0.025 | -0.013 | 10.764 | 2.286 | 2.286 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 286 | ASP | -1 | -0.732 | -0.841 | 10.766 | -28.249 | -28.249 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 287 | VAL | 0 | 0.000 | -0.027 | 10.748 | 2.616 | 2.616 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 288 | GLY | 0 | -0.026 | 0.002 | 12.792 | 1.292 | 1.292 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 289 | ASP | -1 | -0.829 | -0.891 | 11.726 | -23.709 | -23.709 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 290 | PHE | 0 | -0.027 | -0.025 | 5.796 | -2.123 | -2.123 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 291 | THR | 0 | 0.016 | -0.002 | 6.626 | 5.582 | 5.582 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 292 | ILE | 0 | -0.041 | -0.023 | 5.906 | -7.964 | -7.964 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 293 | SER | 0 | 0.009 | 0.005 | 7.873 | 2.446 | 2.446 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 294 | ILE | 0 | -0.002 | -0.009 | 9.407 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 295 | ASN | 0 | 0.000 | -0.008 | 12.601 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 296 | GLU | -1 | -0.762 | -0.876 | 14.190 | -13.439 | -13.439 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 297 | GLY | 0 | 0.013 | 0.019 | 17.673 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 298 | LEU | 0 | -0.003 | 0.004 | 20.483 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 299 | PRO | 0 | 0.005 | 0.003 | 18.340 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 300 | SER | 0 | -0.030 | -0.070 | 20.391 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 301 | GLY | 0 | -0.019 | -0.015 | 23.243 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 302 | VAL | 0 | 0.017 | 0.027 | 21.942 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 303 | PRO | 0 | 0.013 | 0.004 | 23.433 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 304 | CYS | 0 | 0.028 | 0.036 | 26.500 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 305 | THR | 0 | -0.016 | -0.025 | 25.957 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 306 | SER | 0 | 0.035 | 0.020 | 27.611 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 307 | GLN | 0 | 0.106 | 0.056 | 31.288 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 308 | TRP | 0 | 0.012 | -0.003 | 21.770 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 309 | ASN | 0 | 0.000 | -0.011 | 27.264 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 310 | SER | 0 | 0.001 | -0.007 | 29.988 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 311 | ILE | 0 | 0.005 | 0.019 | 31.997 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 312 | ALA | 0 | 0.015 | 0.006 | 29.092 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 313 | HIS | 1 | 0.781 | 0.884 | 31.070 | 9.081 | 9.081 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 314 | TRP | 0 | 0.015 | 0.008 | 33.624 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 315 | LEU | 0 | 0.008 | 0.007 | 31.377 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 316 | LEU | 0 | -0.012 | -0.002 | 29.569 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 317 | THR | 0 | 0.022 | 0.005 | 33.787 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 318 | LEU | 0 | -0.005 | 0.009 | 37.381 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 319 | CYS | 0 | -0.075 | -0.033 | 35.026 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 320 | ALA | 0 | 0.008 | -0.003 | 36.176 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 321 | LEU | 0 | 0.022 | 0.002 | 37.702 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 322 | SER | 0 | -0.028 | -0.021 | 39.881 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 323 | GLU | -1 | -0.809 | -0.904 | 35.304 | -8.431 | -8.431 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 324 | VAL | 0 | -0.084 | -0.037 | 39.844 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 325 | THR | 0 | -0.016 | -0.006 | 42.247 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 326 | ASN | 0 | -0.087 | -0.032 | 43.889 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 327 | LEU | 0 | 0.027 | 0.032 | 44.862 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 328 | SER | 0 | 0.000 | -0.013 | 43.499 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 329 | PRO | 0 | 0.040 | 0.007 | 39.600 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 330 | ASP | -1 | -0.776 | -0.852 | 42.374 | -7.150 | -7.150 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 331 | ILE | 0 | -0.006 | 0.009 | 45.239 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 332 | ILE | 0 | -0.016 | -0.001 | 42.978 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 333 | GLN | 0 | 0.026 | 0.017 | 42.987 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 334 | ALA | 0 | -0.019 | -0.005 | 45.597 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 335 | ASN | 0 | -0.078 | -0.038 | 48.672 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 336 | SER | 0 | -0.019 | -0.029 | 45.968 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 337 | LEU | 0 | -0.016 | 0.011 | 46.361 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 338 | PHE | 0 | -0.032 | -0.025 | 41.465 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | SER | 0 | 0.036 | 0.013 | 42.098 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | PHE | 0 | -0.030 | -0.009 | 36.503 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | TYR | 0 | -0.010 | -0.022 | 34.884 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | GLY | 0 | 0.001 | -0.011 | 32.274 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | ASP | -1 | -0.945 | -0.965 | 31.019 | -9.755 | -9.755 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.840 | -0.919 | 32.943 | -7.958 | -7.958 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | GLU | -1 | -0.778 | -0.901 | 36.720 | -8.381 | -8.381 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | ILE | 0 | 0.009 | 0.020 | 39.404 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | VAL | 0 | -0.052 | -0.021 | 40.931 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | SER | 0 | 0.019 | -0.008 | 44.001 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | THR | 0 | -0.020 | -0.021 | 47.107 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | ASP | -1 | -0.781 | -0.889 | 49.169 | -5.823 | -5.823 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | ILE | 0 | -0.057 | -0.017 | 47.396 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LYS | 1 | 0.941 | 0.966 | 49.314 | 5.724 | 5.724 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | LEU | 0 | 0.010 | 0.016 | 44.283 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | ASP | -1 | -0.809 | -0.886 | 45.120 | -6.644 | -6.644 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | PRO | 0 | 0.062 | 0.028 | 44.027 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | GLU | -1 | -0.922 | -0.947 | 42.287 | -7.109 | -7.109 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | LYS | 1 | 0.877 | 0.912 | 40.634 | 6.513 | 6.513 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | LEU | 0 | 0.033 | 0.032 | 39.308 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | -0.023 | -0.035 | 37.854 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | ALA | 0 | -0.025 | -0.017 | 36.331 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | LYS | 1 | 0.770 | 0.884 | 34.844 | 8.107 | 8.107 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | LEU | 0 | 0.060 | 0.023 | 33.783 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LYS | 1 | 0.889 | 0.954 | 31.762 | 8.212 | 8.212 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | GLU | -1 | -0.805 | -0.864 | 30.347 | -9.181 | -9.181 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | TYR | 0 | -0.053 | -0.052 | 29.274 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | GLY | 0 | 0.046 | 0.021 | 26.769 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | LEU | 0 | -0.015 | 0.025 | 27.616 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | LYS | 1 | 0.832 | 0.885 | 27.700 | 10.589 | 10.589 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | PRO | 0 | 0.022 | 0.033 | 31.467 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | THR | 0 | -0.082 | -0.067 | 34.911 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | ARG | 1 | 0.817 | 0.895 | 37.357 | 7.346 | 7.346 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | PRO | 0 | 0.029 | 0.037 | 40.244 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | ASP | -1 | -0.889 | -0.938 | 41.271 | -7.033 | -7.033 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | LYS | 1 | 0.888 | 0.936 | 43.938 | 6.525 | 6.525 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | THR | 0 | -0.021 | 0.004 | 39.441 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | GLU | -1 | -0.878 | -0.953 | 37.541 | -8.030 | -8.030 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | GLY | 0 | -0.034 | -0.015 | 40.098 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | PRO | 0 | -0.027 | -0.012 | 40.610 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | LEU | 0 | 0.018 | 0.010 | 39.591 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | VAL | 0 | -0.031 | -0.015 | 42.300 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ILE | 0 | -0.005 | -0.001 | 45.266 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | SER | 0 | -0.030 | -0.024 | 47.761 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | GLU | -1 | -0.780 | -0.873 | 50.950 | -5.690 | -5.690 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | ASP | -1 | -0.817 | -0.894 | 53.417 | -5.630 | -5.630 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | LEU | 0 | 0.042 | 0.046 | 48.786 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | ASN | 0 | -0.072 | -0.071 | 50.728 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | GLY | 0 | -0.056 | -0.022 | 50.729 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | LEU | 0 | 0.005 | 0.025 | 46.363 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | THR | 0 | -0.060 | -0.036 | 42.220 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | PHE | 0 | 0.032 | 0.012 | 39.707 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.011 | 0.009 | 39.336 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.812 | 0.888 | 36.228 | 8.383 | 8.383 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ARG | 1 | 0.761 | 0.855 | 42.519 | 7.327 | 7.327 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | THR | 0 | 0.003 | 0.015 | 46.170 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | VAL | 0 | 0.013 | 0.018 | 47.359 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | THR | 0 | -0.041 | -0.020 | 49.985 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | ARG | 1 | 0.894 | 0.957 | 53.740 | 5.555 | 5.555 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | ASP | -1 | -0.799 | -0.868 | 57.067 | -5.384 | -5.384 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | PRO | 0 | -0.027 | -0.040 | 60.398 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | ALA | 0 | -0.010 | 0.016 | 61.814 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | GLY | 0 | 0.005 | 0.006 | 58.871 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | TRP | 0 | -0.008 | -0.015 | 53.314 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | PHE | 0 | 0.008 | -0.006 | 52.734 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLY | 0 | 0.051 | 0.030 | 49.059 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LYS | 1 | 0.910 | 0.947 | 49.692 | 6.130 | 6.130 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | LEU | 0 | -0.048 | 0.001 | 43.770 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | GLU | -1 | -0.719 | -0.833 | 41.765 | -7.608 | -7.608 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | GLN | 0 | 0.007 | -0.008 | 46.362 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | SER | 0 | 0.001 | 0.002 | 43.737 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | SER | 0 | -0.014 | -0.047 | 42.124 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | ILE | 0 | 0.029 | 0.029 | 43.586 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | 0.005 | -0.014 | 46.481 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | ARG | 1 | 0.797 | 0.900 | 39.700 | 7.824 | 7.824 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | GLN | 0 | 0.037 | 0.023 | 42.208 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | MET | 0 | 0.010 | 0.043 | 44.215 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | TYR | 0 | 0.007 | 0.007 | 45.062 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | TRP | 0 | -0.007 | 0.002 | 39.611 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | THR | 0 | 0.045 | 0.021 | 42.129 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | ARG | 1 | 0.924 | 0.960 | 36.416 | 8.349 | 8.349 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLY | 0 | 0.078 | 0.031 | 38.594 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | PRO | 0 | -0.005 | 0.003 | 37.123 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | ASN | 0 | -0.021 | -0.016 | 31.350 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | HIS | 1 | 0.840 | 0.920 | 34.344 | 8.494 | 8.494 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | GLU | -1 | -0.763 | -0.887 | 30.578 | -10.659 | -10.659 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | ASP | -1 | -0.806 | -0.869 | 34.264 | -8.172 | -8.172 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | PRO | 0 | -0.066 | -0.048 | 35.648 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | SER | 0 | -0.048 | -0.046 | 38.334 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | GLU | -1 | -0.872 | -0.934 | 41.093 | -7.123 | -7.123 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | THR | 0 | -0.037 | -0.009 | 42.683 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | MET | 0 | -0.102 | -0.026 | 42.925 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | ILE | 0 | 0.036 | 0.009 | 44.658 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | PRO | 0 | 0.044 | 0.020 | 47.283 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | HIS | 0 | 0.015 | 0.010 | 44.802 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | SER | 0 | 0.046 | 0.015 | 48.520 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | GLN | 0 | 0.001 | -0.010 | 44.291 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | ARG | 1 | 0.677 | 0.803 | 45.195 | 6.926 | 6.926 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PRO | 0 | 0.056 | 0.010 | 48.500 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | ILE | 0 | 0.022 | 0.028 | 49.275 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLN | 0 | 0.040 | 0.031 | 43.308 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | LEU | 0 | -0.028 | -0.015 | 48.092 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | MET | 0 | 0.026 | 0.031 | 50.784 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | SER | 0 | -0.023 | -0.021 | 48.243 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | LEU | 0 | -0.028 | -0.020 | 46.042 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | LEU | 0 | -0.012 | -0.014 | 50.029 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | GLY | 0 | 0.043 | -0.003 | 53.075 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | GLU | -1 | -0.732 | -0.886 | 47.856 | -6.649 | -6.649 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | ALA | 0 | -0.070 | -0.043 | 51.452 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ALA | 0 | -0.037 | -0.018 | 53.592 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | LEU | 0 | 0.004 | 0.031 | 51.910 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | HIS | 0 | -0.026 | 0.000 | 50.474 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | GLY | 0 | 0.048 | 0.020 | 55.928 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | PRO | 0 | 0.073 | 0.023 | 58.501 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | ALA | 0 | -0.032 | -0.018 | 59.475 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | PHE | 0 | -0.001 | 0.001 | 50.469 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | TYR | 0 | 0.054 | 0.016 | 56.028 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | SER | 0 | 0.000 | 0.020 | 57.706 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | LYS | 1 | 0.913 | 0.959 | 51.772 | 6.139 | 6.139 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ILE | 0 | 0.029 | 0.001 | 51.239 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | SER | 0 | 0.024 | -0.011 | 54.613 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.867 | 0.936 | 57.618 | 5.311 | 5.311 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.023 | -0.006 | 51.185 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | VAL | 0 | 0.029 | 0.017 | 53.037 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ILE | 0 | 0.005 | 0.005 | 54.488 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | ALA | 0 | -0.032 | -0.016 | 55.417 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | GLU | -1 | -0.747 | -0.841 | 49.512 | -6.621 | -6.621 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | LEU | 0 | 0.010 | 0.000 | 52.496 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.846 | 0.924 | 54.863 | 5.230 | 5.230 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | GLU | -1 | -0.808 | -0.868 | 51.707 | -6.205 | -6.205 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | GLY | 0 | -0.035 | -0.024 | 53.668 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLY | 0 | -0.021 | -0.006 | 54.304 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | MET | 0 | -0.060 | -0.036 | 56.053 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | ASP | -1 | -0.837 | -0.906 | 58.302 | -5.230 | -5.230 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | PHE | 0 | 0.001 | -0.021 | 55.586 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | TYR | 0 | -0.062 | -0.052 | 59.860 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | VAL | 0 | 0.008 | 0.000 | 58.102 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | PRO | 0 | 0.030 | 0.029 | 59.020 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | ARG | 1 | 0.858 | 0.916 | 61.314 | 4.721 | 4.721 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLN | 0 | -0.007 | -0.018 | 59.148 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | GLU | -1 | -0.852 | -0.902 | 61.304 | -4.878 | -4.878 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | PRO | 0 | 0.007 | -0.009 | 62.891 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | MET | 0 | 0.009 | 0.028 | 56.567 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | PHE | 0 | 0.000 | -0.007 | 58.223 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ARG | 1 | 0.785 | 0.868 | 59.150 | 4.856 | 4.856 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | TRP | 0 | -0.035 | -0.022 | 55.013 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | MET | 0 | -0.059 | -0.012 | 53.595 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | ARG | 1 | 0.820 | 0.888 | 55.065 | 5.504 | 5.504 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | PHE | 0 | -0.041 | -0.022 | 57.376 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | SER | 0 | 0.021 | 0.029 | 56.804 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASP | -1 | -0.817 | -0.864 | 59.180 | -4.913 | -4.913 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | LEU | 0 | 0.038 | 0.014 | 59.814 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | SER | 0 | -0.064 | -0.058 | 63.781 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | THR | 0 | -0.017 | -0.022 | 66.702 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | TRP | 0 | -0.027 | -0.014 | 58.500 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLU | -1 | -0.771 | -0.841 | 64.569 | -4.801 | -4.801 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | GLY | 0 | 0.002 | 0.001 | 64.517 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | ASP | -1 | -0.818 | -0.910 | 61.256 | -5.304 | -5.304 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.913 | 0.945 | 61.736 | 4.866 | 4.866 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | ASN | 0 | -0.068 | -0.042 | 57.903 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | LEU | 0 | -0.046 | -0.015 | 56.793 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | ALA | 0 | 0.005 | 0.009 | 56.865 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | PRO | 0 | -0.058 | -0.012 | 52.224 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | SER | 0 | 0.039 | 0.021 | 50.851 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | PHE | 0 | -0.009 | -0.023 | 47.160 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | VAL | 0 | -0.025 | -0.008 | 42.054 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ASN | 0 | 0.048 | 0.009 | 42.910 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | GLU | -1 | -0.842 | -0.893 | 37.331 | -8.662 | -8.662 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ASP | -1 | -0.865 | -0.907 | 38.982 | -7.536 | -7.536 | 0.000 | 0.000 | 0.000 | 0.000 |