FMODB ID: VKQY1
Calculation Name: 2EP5-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2EP5
Chain ID: A
UniProt ID: Q971Y6
Base Structure: X-ray
Registration Date: 2023-09-27
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 | OptH |
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 | 349 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5629362.196942 |
---|---|
FMO2-HF: Nuclear repulsion | 5494738.85484 |
FMO2-HF: Total energy | -134623.342102 |
FMO2-MP2: Total energy | -135018.021541 |
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(A:2:ALA)
Summations of interaction energy for
fragment #1(A:2:ALA)
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. |
1.296 | 4.638 | 0.397 | -1.486 | -2.253 | 0.002 |
Interaction energy analysis for fragmet #1(A:2:ALA)
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 | A | 4 | LYS | 1 | 0.883 | 0.928 | 2.854 | 2.308 | 4.593 | 0.043 | -0.953 | -1.376 | 0.004 |
4 | A | 5 | ILE | 0 | -0.035 | -0.003 | 5.505 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | LYS | 1 | 0.955 | 0.980 | 8.473 | 1.332 | 1.332 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | VAL | 0 | 0.030 | 0.009 | 11.255 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | SER | 0 | -0.028 | -0.006 | 13.699 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | LEU | 0 | 0.002 | -0.010 | 17.181 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | LEU | 0 | 0.018 | -0.006 | 19.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | GLY | 0 | 0.013 | 0.012 | 23.042 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | SER | 0 | 0.033 | 0.005 | 21.590 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | THR | 0 | 0.003 | -0.005 | 23.114 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | GLY | 0 | -0.007 | 0.007 | 26.264 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | MET | 0 | 0.013 | 0.019 | 25.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | VAL | 0 | 0.055 | 0.030 | 22.740 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | GLY | 0 | 0.036 | 0.019 | 21.910 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | GLN | 0 | 0.066 | 0.033 | 20.831 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LYS | 1 | 0.920 | 0.965 | 20.666 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | MET | 0 | -0.027 | 0.000 | 17.562 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | VAL | 0 | 0.005 | 0.016 | 16.188 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | LYS | 1 | 0.865 | 0.928 | 16.173 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | MET | 0 | -0.073 | -0.049 | 14.832 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | LEU | 0 | 0.010 | 0.000 | 11.698 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | ALA | 0 | -0.057 | -0.008 | 11.263 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | LYS | 1 | 0.937 | 0.972 | 10.956 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | HIS | 0 | -0.009 | -0.001 | 7.395 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | PRO | 0 | -0.010 | -0.002 | 4.651 | -0.166 | -0.105 | -0.001 | -0.009 | -0.051 | 0.000 |
28 | A | 29 | TYR | 0 | 0.050 | 0.005 | 2.683 | -1.401 | -0.439 | 0.353 | -0.505 | -0.809 | -0.002 |
29 | A | 30 | LEU | 0 | -0.025 | 0.002 | 4.074 | -0.613 | -0.579 | 0.002 | -0.019 | -0.017 | 0.000 |
30 | A | 31 | GLU | -1 | -0.905 | -0.959 | 7.865 | -1.083 | -1.083 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | LEU | 0 | -0.024 | -0.018 | 9.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | VAL | 0 | 0.038 | 0.023 | 12.711 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | LYS | 1 | 0.843 | 0.913 | 15.153 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | VAL | 0 | 0.031 | 0.038 | 18.432 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | SER | 0 | -0.017 | -0.007 | 20.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ALA | 0 | -0.015 | -0.020 | 24.128 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | SER | 0 | 0.015 | 0.007 | 27.358 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | PRO | 0 | 0.096 | 0.012 | 30.785 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | SER | 0 | -0.009 | 0.000 | 32.696 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | LYS | 1 | 0.926 | 0.969 | 29.633 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | ILE | 0 | -0.010 | 0.011 | 28.295 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | GLY | 0 | -0.022 | -0.002 | 27.895 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | LYS | 1 | 0.915 | 0.965 | 28.650 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | LYS | 1 | 0.909 | 0.961 | 24.471 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | TYR | 0 | 0.037 | 0.001 | 22.339 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | LYS | 1 | 0.919 | 0.946 | 24.403 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ASP | -1 | -0.952 | -0.964 | 26.055 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | ALA | 0 | -0.077 | -0.033 | 27.623 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | VAL | 0 | -0.083 | -0.023 | 25.063 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | LYS | 1 | 0.958 | 0.976 | 28.076 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | TRP | 0 | -0.010 | -0.016 | 21.028 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | ILE | 0 | -0.041 | -0.030 | 26.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | GLU | -1 | -0.845 | -0.912 | 22.524 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | GLN | 0 | -0.045 | -0.027 | 21.576 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | GLY | 0 | 0.035 | 0.025 | 23.687 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ASP | -1 | -0.896 | -0.947 | 23.753 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | ILE | 0 | -0.083 | -0.032 | 21.234 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | PRO | 0 | 0.013 | 0.001 | 16.957 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | GLU | -1 | -0.828 | -0.922 | 17.967 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | GLU | -1 | -0.915 | -0.952 | 13.766 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | VAL | 0 | -0.064 | -0.073 | 15.781 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | GLN | 0 | -0.033 | -0.004 | 18.095 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | ASP | -1 | -0.792 | -0.920 | 20.583 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | LEU | 0 | -0.030 | 0.021 | 16.405 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | PRO | 0 | 0.003 | 0.007 | 20.506 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | ILE | 0 | -0.027 | -0.001 | 22.618 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | VAL | 0 | 0.021 | 0.014 | 22.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | SER | 0 | -0.010 | -0.053 | 25.302 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | THR | 0 | 0.021 | 0.006 | 25.605 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | ASN | 0 | 0.025 | 0.009 | 26.997 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | TYR | 0 | 0.053 | 0.012 | 23.952 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | GLU | -1 | -0.864 | -0.945 | 24.824 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | ASP | -1 | -0.802 | -0.840 | 24.165 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | HIS | 1 | 0.776 | 0.854 | 20.314 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | LYS | 1 | 0.935 | 0.973 | 20.402 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | ASP | -1 | -0.899 | -0.948 | 17.642 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | VAL | 0 | -0.063 | 0.001 | 15.256 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | ASP | -1 | -0.835 | -0.918 | 11.741 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | VAL | 0 | -0.034 | -0.020 | 13.419 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | VAL | 0 | -0.070 | -0.034 | 15.704 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | LEU | 0 | 0.041 | 0.025 | 14.380 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | SER | 0 | -0.051 | -0.049 | 18.669 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | ALA | 0 | 0.035 | 0.018 | 22.207 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | LEU | 0 | -0.092 | -0.042 | 24.104 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | PRO | 0 | 0.010 | 0.015 | 27.238 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | ASN | 0 | 0.087 | 0.026 | 30.583 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLU | -1 | -0.898 | -0.960 | 32.249 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | LEU | 0 | -0.042 | -0.019 | 31.647 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ALA | 0 | -0.032 | -0.009 | 28.673 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | GLU | -1 | -0.911 | -0.947 | 29.756 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | SER | 0 | 0.045 | 0.010 | 31.420 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | ILE | 0 | 0.003 | 0.006 | 27.266 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | GLU | -1 | -0.708 | -0.834 | 25.761 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | LEU | 0 | -0.007 | 0.013 | 27.228 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | GLU | -1 | -0.865 | -0.949 | 29.490 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | LEU | 0 | -0.043 | -0.003 | 23.647 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | VAL | 0 | 0.008 | 0.016 | 24.379 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | LYS | 1 | 0.949 | 0.978 | 25.992 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | ASN | 0 | -0.074 | -0.048 | 26.952 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | GLY | 0 | -0.042 | -0.025 | 24.550 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | LYS | 1 | 0.808 | 0.922 | 18.883 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ILE | 0 | 0.062 | 0.032 | 16.462 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | VAL | 0 | -0.035 | -0.026 | 19.029 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | VAL | 0 | 0.032 | 0.022 | 16.979 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | SER | 0 | -0.024 | -0.048 | 20.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | ASN | 0 | 0.030 | 0.016 | 21.873 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | ALA | 0 | 0.052 | 0.053 | 24.589 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | SER | 0 | -0.017 | -0.056 | 27.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | PRO | 0 | -0.021 | -0.001 | 30.335 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | PHE | 0 | 0.068 | 0.018 | 29.167 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ARG | 1 | 0.801 | 0.917 | 28.008 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | MET | 0 | -0.011 | -0.012 | 30.027 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | ASP | -1 | -0.829 | -0.900 | 30.889 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | PRO | 0 | 0.001 | -0.016 | 31.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | ASP | -1 | -0.834 | -0.909 | 30.260 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | VAL | 0 | -0.086 | -0.041 | 26.122 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | PRO | 0 | 0.000 | 0.014 | 23.462 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | LEU | 0 | -0.018 | 0.005 | 25.065 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | ILE | 0 | 0.019 | 0.001 | 20.165 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | ASN | 0 | 0.046 | 0.026 | 22.564 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | PRO | 0 | -0.030 | -0.012 | 18.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | GLU | -1 | -0.738 | -0.863 | 20.122 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | ILE | 0 | -0.042 | -0.023 | 22.009 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | ASN | 0 | 0.018 | -0.033 | 23.962 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | TRP | 0 | 0.066 | 0.040 | 19.381 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | GLU | -1 | -0.869 | -0.947 | 21.315 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | HIS | 0 | -0.012 | -0.001 | 23.385 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LEU | 0 | -0.008 | -0.006 | 18.016 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | GLU | -1 | -0.916 | -0.946 | 22.189 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LEU | 0 | -0.040 | -0.022 | 24.044 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | LEU | 0 | -0.062 | -0.043 | 20.045 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | LYS | 1 | 0.904 | 0.959 | 23.557 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | PHE | 0 | 0.026 | 0.009 | 25.194 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | GLN | 0 | 0.044 | 0.038 | 25.285 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | LYS | 1 | 0.919 | 0.966 | 22.423 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | GLU | -1 | -0.946 | -0.965 | 28.202 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | ARG | 1 | 0.843 | 0.932 | 30.987 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | LYS | 1 | 0.834 | 0.913 | 30.212 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | GLY | 0 | 0.025 | 0.024 | 31.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | TRP | 0 | -0.080 | -0.032 | 27.060 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | LYS | 1 | 0.975 | 0.976 | 26.761 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | GLY | 0 | -0.019 | -0.007 | 23.548 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | ILE | 0 | -0.041 | -0.018 | 20.383 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | LEU | 0 | -0.018 | -0.002 | 22.398 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | VAL | 0 | 0.023 | 0.010 | 19.843 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | LYS | 1 | 0.772 | 0.885 | 22.688 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | ASN | 0 | -0.009 | 0.003 | 20.564 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | PRO | 0 | 0.000 | -0.011 | 24.323 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | ASN | 0 | -0.053 | -0.049 | 27.187 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | CYS | 0 | -0.005 | 0.013 | 27.685 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | THR | 0 | 0.007 | -0.010 | 28.689 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | ALA | 0 | 0.033 | 0.027 | 30.604 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | ALA | 0 | 0.003 | 0.000 | 25.904 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | ILE | 0 | -0.032 | -0.010 | 27.952 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | MET | 0 | -0.006 | -0.004 | 29.241 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | SER | 0 | -0.015 | -0.023 | 28.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | MET | 0 | -0.018 | 0.006 | 23.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | PRO | 0 | -0.007 | -0.006 | 28.807 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | ILE | 0 | 0.038 | 0.012 | 32.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | LYS | 1 | 1.014 | 1.028 | 27.902 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | PRO | 0 | -0.066 | -0.026 | 29.491 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | LEU | 0 | -0.010 | -0.007 | 31.802 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | ILE | 0 | 0.001 | 0.003 | 33.461 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | GLU | -1 | -0.933 | -0.970 | 35.598 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | ILE | 0 | -0.003 | 0.005 | 38.519 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | ALA | 0 | -0.011 | -0.016 | 37.673 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | THR | 0 | -0.029 | -0.017 | 38.038 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | LYS | 1 | 0.888 | 0.967 | 40.482 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | SER | 0 | -0.031 | -0.026 | 42.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | LYS | 1 | 0.865 | 0.970 | 44.544 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ILE | 0 | -0.022 | -0.013 | 38.832 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ILE | 0 | 0.018 | 0.014 | 42.785 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | ILE | 0 | -0.010 | -0.021 | 37.585 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | THR | 0 | 0.001 | 0.021 | 41.251 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | THR | 0 | -0.021 | -0.019 | 36.690 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | LEU | 0 | 0.002 | 0.010 | 37.950 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | GLN | 0 | -0.003 | -0.020 | 34.999 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ALA | 0 | 0.032 | 0.016 | 33.157 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | VAL | 0 | 0.032 | -0.006 | 35.215 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | SER | 0 | 0.021 | -0.013 | 30.659 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | GLY | 0 | -0.037 | -0.006 | 31.401 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | ALA | 0 | -0.073 | -0.031 | 32.462 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | GLY | 0 | -0.003 | -0.008 | 31.261 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | TYR | 0 | -0.001 | -0.039 | 31.246 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | ASN | 0 | -0.004 | -0.015 | 33.047 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | GLY | 0 | -0.012 | 0.023 | 35.788 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | ILE | 0 | -0.031 | -0.018 | 37.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | SER | 0 | 0.011 | 0.012 | 39.964 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | PHE | 0 | 0.063 | 0.011 | 42.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | MET | 0 | 0.037 | 0.003 | 43.652 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | ALA | 0 | -0.022 | 0.008 | 44.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | ILE | 0 | -0.039 | -0.024 | 41.030 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | GLU | -1 | -0.951 | -0.976 | 44.145 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | GLY | 0 | 0.046 | 0.033 | 44.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | ASN | 0 | -0.031 | -0.007 | 45.909 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | ILE | 0 | -0.022 | -0.031 | 44.361 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | ILE | 0 | -0.005 | 0.016 | 43.538 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | PRO | 0 | -0.023 | -0.017 | 43.909 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | TYR | 0 | 0.070 | 0.019 | 44.170 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | ILE | 0 | 0.008 | 0.014 | 37.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | LYS | 1 | 0.973 | 0.976 | 40.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | GLY | 0 | -0.040 | -0.027 | 39.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | GLU | -1 | -0.801 | -0.879 | 34.512 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | GLU | -1 | -0.825 | -0.919 | 37.509 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ASP | -1 | -0.874 | -0.929 | 39.626 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | LYS | 1 | 0.923 | 0.955 | 34.142 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | ILE | 0 | 0.008 | 0.014 | 34.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | ALA | 0 | 0.047 | 0.032 | 35.406 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | LYS | 1 | 0.894 | 0.942 | 36.755 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | GLU | -1 | -0.729 | -0.878 | 30.815 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | LEU | 0 | -0.008 | 0.000 | 31.995 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | THR | 0 | -0.005 | 0.023 | 33.372 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | LYS | 1 | 0.835 | 0.921 | 29.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | LEU | 0 | -0.022 | -0.017 | 26.891 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | ASN | 0 | -0.064 | -0.052 | 28.924 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | GLY | 0 | 0.019 | 0.026 | 31.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | LYS | 1 | 0.904 | 0.953 | 30.706 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | LEU | 0 | -0.018 | 0.009 | 26.578 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | GLU | -1 | -0.883 | -0.968 | 30.436 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | ASN | 0 | -0.009 | -0.011 | 33.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | ASN | 0 | -0.017 | -0.007 | 29.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | 0.051 | 0.031 | 30.947 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | ILE | 0 | 0.003 | 0.003 | 28.138 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | ILE | 0 | 0.009 | 0.019 | 32.198 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | PRO | 0 | -0.035 | -0.034 | 34.728 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | ALA | 0 | 0.018 | 0.021 | 34.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | ASN | 0 | -0.030 | -0.024 | 36.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | LEU | 0 | 0.031 | 0.010 | 35.595 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | ASP | -1 | -0.832 | -0.910 | 40.059 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | SER | 0 | -0.018 | -0.031 | 39.828 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | THR | 0 | -0.033 | -0.006 | 42.137 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | VAL | 0 | -0.017 | -0.016 | 39.221 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | THR | 0 | 0.003 | 0.005 | 42.325 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | SER | 0 | -0.046 | -0.029 | 38.920 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | ILE | 0 | -0.024 | -0.005 | 40.714 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | ARG | 1 | 0.885 | 0.968 | 35.558 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | VAL | 0 | 0.064 | 0.019 | 38.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | PRO | 0 | 0.023 | 0.024 | 39.315 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | THR | 0 | 0.010 | 0.010 | 34.780 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | ARG | 1 | 0.958 | 0.986 | 32.911 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | VAL | 0 | 0.011 | -0.004 | 27.982 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | GLY | 0 | 0.025 | 0.022 | 30.552 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | HIS | 0 | -0.030 | -0.007 | 31.288 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | MET | 0 | 0.016 | 0.003 | 32.879 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | GLY | 0 | 0.016 | 0.000 | 35.580 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | VAL | 0 | -0.035 | -0.014 | 37.103 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | ILE | 0 | 0.022 | -0.002 | 35.469 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | ASN | 0 | -0.018 | -0.017 | 40.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | ILE | 0 | 0.021 | 0.010 | 38.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | VAL | 0 | 0.006 | 0.003 | 43.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | THR | 0 | 0.003 | -0.009 | 44.316 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | ASN | 0 | 0.035 | 0.011 | 47.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | GLU | -1 | -0.968 | -0.964 | 44.813 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | ARG | 1 | 0.956 | 0.969 | 45.907 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | ILE | 0 | 0.035 | 0.008 | 42.562 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | ASN | 0 | -0.012 | 0.014 | 42.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | ILE | 0 | 0.056 | 0.007 | 41.356 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | GLU | -1 | -0.830 | -0.929 | 40.193 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | GLU | -1 | -0.877 | -0.942 | 37.700 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | ILE | 0 | 0.010 | 0.018 | 36.601 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | LYS | 1 | 0.923 | 0.966 | 35.370 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | LYS | 1 | 0.899 | 0.950 | 33.820 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | THR | 0 | -0.024 | -0.029 | 32.315 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | LEU | 0 | -0.020 | -0.012 | 30.816 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | LYS | 1 | 0.904 | 0.965 | 29.376 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | ASN | 0 | -0.022 | -0.016 | 27.977 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | PHE | 0 | -0.023 | 0.004 | 25.323 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | LYS | 1 | 0.933 | 0.962 | 21.525 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | SER | 0 | 0.020 | 0.023 | 21.296 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | LEU | 0 | 0.031 | 0.023 | 15.541 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | PRO | 0 | 0.022 | -0.013 | 15.519 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | GLN | 0 | 0.002 | -0.008 | 15.393 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | GLN | 0 | -0.063 | -0.028 | 16.851 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | LYS | 1 | 0.910 | 0.958 | 12.424 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | ASN | 0 | -0.092 | -0.030 | 11.814 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | LEU | 0 | 0.017 | 0.021 | 10.541 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | PRO | 0 | -0.015 | -0.010 | 8.062 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | THR | 0 | -0.050 | -0.059 | 10.711 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | ALA | 0 | -0.042 | -0.023 | 13.788 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | PRO | 0 | -0.050 | 0.006 | 16.134 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | LYS | 1 | 0.993 | 0.972 | 16.464 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | GLN | 0 | -0.112 | -0.069 | 19.810 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | PRO | 0 | -0.007 | 0.008 | 21.962 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | ILE | 0 | 0.023 | 0.018 | 23.716 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | ILE | 0 | 0.027 | 0.028 | 25.994 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | VAL | 0 | -0.028 | -0.017 | 29.209 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ARG | 1 | 0.855 | 0.928 | 31.047 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | ASP | -1 | -0.905 | -0.947 | 35.294 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | GLU | -1 | -0.903 | -0.955 | 36.676 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | GLU | -1 | -0.831 | -0.918 | 39.925 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ASP | -1 | -0.922 | -0.961 | 41.090 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | ARG | 1 | 0.791 | 0.887 | 33.274 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | PRO | 0 | -0.013 | -0.024 | 33.951 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | GLN | 0 | 0.003 | -0.020 | 35.030 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | PRO | 0 | 0.005 | 0.002 | 33.251 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | ILE | 0 | 0.002 | -0.017 | 32.420 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | ILE | 0 | -0.022 | 0.014 | 33.156 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | ASP | -1 | -0.749 | -0.859 | 30.358 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | VAL | 0 | -0.025 | 0.002 | 28.214 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | ASN | 0 | -0.010 | -0.020 | 25.379 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | ALA | 0 | 0.021 | 0.024 | 24.380 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | GLU | -1 | -0.807 | -0.926 | 20.787 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | SER | 0 | -0.010 | -0.006 | 18.863 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | GLY | 0 | 0.024 | 0.014 | 20.958 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | MET | 0 | -0.010 | -0.002 | 18.073 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | ALA | 0 | -0.011 | 0.026 | 21.524 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | VAL | 0 | -0.032 | -0.011 | 24.288 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | THR | 0 | -0.018 | -0.015 | 27.852 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | VAL | 0 | 0.001 | -0.019 | 30.843 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | GLY | 0 | 0.053 | 0.026 | 33.880 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | ARG | 1 | 0.848 | 0.909 | 37.272 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | ILE | 0 | -0.009 | 0.003 | 35.894 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | ARG | 1 | 0.832 | 0.881 | 40.427 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | HIS | 0 | -0.028 | 0.002 | 44.033 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | GLU | -1 | -0.834 | -0.885 | 46.268 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | ASN | 0 | 0.009 | -0.015 | 49.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ASN | 0 | 0.006 | 0.001 | 50.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | VAL | 0 | 0.021 | 0.014 | 45.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | LEU | 0 | 0.010 | 0.031 | 39.689 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | ARG | 1 | 0.883 | 0.945 | 42.424 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | LEU | 0 | 0.000 | -0.006 | 36.130 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | VAL | 0 | -0.007 | 0.009 | 37.090 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | VAL | 0 | 0.036 | 0.021 | 31.716 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | LEU | 0 | -0.022 | -0.006 | 30.709 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | GLY | 0 | 0.069 | 0.024 | 28.373 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | ASP | -1 | -0.784 | -0.896 | 25.008 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | ASN | 0 | 0.006 | -0.016 | 25.930 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | LEU | 0 | -0.031 | -0.021 | 24.772 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | VAL | 0 | -0.033 | -0.008 | 19.942 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | ARG | 1 | 0.802 | 0.863 | 21.090 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | GLY | 0 | -0.067 | -0.033 | 23.238 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | ALA | 0 | 0.019 | -0.006 | 23.324 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | ALA | 0 | 0.010 | 0.000 | 19.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | GLY | 0 | 0.054 | 0.009 | 17.452 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | ILE | 0 | 0.016 | 0.021 | 17.333 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | THR | 0 | 0.008 | 0.035 | 17.560 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | ILE | 0 | -0.002 | -0.006 | 12.449 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | LEU | 0 | -0.010 | 0.000 | 13.505 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | THR | 0 | -0.026 | -0.049 | 14.757 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | VAL | 0 | 0.006 | 0.003 | 11.375 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | GLU | -1 | -0.747 | -0.829 | 10.247 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | VAL | 0 | 0.005 | 0.004 | 11.149 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | MET | 0 | -0.008 | 0.000 | 13.848 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | LYS | 1 | 0.930 | 0.972 | 6.632 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | GLU | -1 | -0.909 | -0.964 | 10.735 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | LEU | 0 | -0.071 | -0.038 | 11.512 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | GLY | 0 | 0.005 | 0.009 | 13.129 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | TYR | 0 | -0.037 | -0.018 | 14.280 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | ILE | 0 | -0.065 | -0.016 | 10.616 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |