FMODB ID: 722NK
Calculation Name: 4OWW-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4OWW
Chain ID: A
UniProt ID: Q68E01
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 463 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8984806.363926 |
---|---|
FMO2-HF: Nuclear repulsion | 8795412.560847 |
FMO2-HF: Total energy | -189393.803079 |
FMO2-MP2: Total energy | -189934.502769 |
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:35:ARG)
Summations of interaction energy for
fragment #1(A:35:ARG)
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. |
-113.346 | -98.654 | 4.939 | -8.119 | -11.511 | -0.081 |
Interaction energy analysis for fragmet #1(A:35:ARG)
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 | 37 | LEU | 0 | -0.069 | -0.043 | 2.513 | 8.072 | 10.466 | 0.256 | -1.050 | -1.600 | -0.001 |
4 | A | 38 | LEU | 0 | -0.041 | -0.025 | 3.005 | -8.646 | -7.466 | 0.275 | -0.517 | -0.938 | -0.005 |
5 | A | 39 | SER | 0 | -0.013 | -0.006 | 4.225 | 3.038 | 3.187 | -0.001 | -0.004 | -0.143 | 0.000 |
6 | A | 40 | THR | 0 | -0.042 | -0.013 | 6.266 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 41 | SER | 0 | -0.012 | -0.020 | 7.982 | -1.678 | -1.678 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 42 | LEU | 0 | -0.029 | -0.007 | 8.964 | 1.290 | 1.290 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 43 | ASP | -1 | -0.884 | -0.935 | 8.216 | -26.451 | -26.451 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 44 | ALA | 0 | -0.011 | -0.007 | 8.985 | -1.587 | -1.587 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 45 | LYS | 1 | 0.990 | 0.994 | 7.201 | 25.565 | 25.565 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 46 | ASP | -1 | -0.753 | -0.874 | 6.445 | -24.421 | -24.421 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 47 | GLU | -1 | -0.922 | -0.969 | 7.617 | -25.210 | -25.210 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 48 | LEU | 0 | -0.028 | -0.007 | 8.964 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 49 | GLU | -1 | -0.817 | -0.932 | 2.462 | -73.069 | -69.861 | 2.266 | -2.351 | -3.123 | -0.034 |
16 | A | 50 | GLU | -1 | -0.866 | -0.932 | 5.778 | -46.264 | -46.264 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 51 | ARG | 1 | 0.788 | 0.871 | 7.480 | 20.225 | 20.225 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 52 | LEU | 0 | -0.020 | -0.022 | 7.423 | 1.894 | 1.894 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 53 | GLU | -1 | -0.829 | -0.924 | 2.629 | -74.180 | -68.529 | 1.145 | -3.351 | -3.445 | -0.040 |
20 | A | 54 | ARG | 1 | 0.883 | 0.954 | 6.805 | 26.876 | 26.876 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 55 | CYS | 0 | -0.066 | -0.022 | 10.450 | 1.904 | 1.904 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 56 | MET | 0 | 0.042 | 0.030 | 4.381 | 1.756 | 1.889 | 0.000 | -0.036 | -0.097 | 0.000 |
23 | A | 57 | SER | 0 | -0.013 | -0.005 | 10.006 | 1.285 | 1.285 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 58 | ILE | 0 | -0.029 | -0.013 | 11.188 | 1.293 | 1.293 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 59 | VAL | 0 | 0.016 | 0.012 | 12.726 | 1.073 | 1.073 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 60 | THR | 0 | -0.011 | 0.006 | 10.592 | 0.904 | 0.904 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 61 | SER | 0 | -0.026 | -0.004 | 13.610 | 1.015 | 1.015 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 62 | MET | 0 | -0.056 | -0.014 | 16.045 | 0.813 | 0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 63 | THR | 0 | -0.062 | -0.057 | 15.736 | 0.470 | 0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 64 | ALA | 0 | -0.008 | 0.004 | 15.015 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 65 | GLY | 0 | -0.037 | -0.017 | 17.046 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 66 | VAL | 0 | -0.001 | 0.021 | 20.051 | 0.619 | 0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 67 | SER | 0 | -0.023 | -0.012 | 21.497 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 68 | GLU | -1 | -0.902 | -0.980 | 21.842 | -11.727 | -11.727 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 69 | ARG | 1 | 0.920 | 0.966 | 23.025 | 9.660 | 9.660 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 70 | GLU | -1 | -0.827 | -0.922 | 24.804 | -10.797 | -10.797 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 71 | ALA | 0 | -0.006 | 0.007 | 19.844 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 72 | ASN | 0 | 0.015 | -0.002 | 21.554 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 73 | ASP | -1 | -0.911 | -0.938 | 23.098 | -10.238 | -10.238 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 74 | ALA | 0 | 0.009 | 0.012 | 21.960 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 75 | LEU | 0 | 0.013 | 0.001 | 17.744 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 76 | ASN | 0 | -0.028 | -0.038 | 21.649 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 77 | ALA | 0 | -0.009 | 0.010 | 24.940 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 78 | TYR | 0 | -0.063 | -0.073 | 19.159 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 79 | VAL | 0 | 0.022 | 0.007 | 21.575 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 80 | CYS | 0 | -0.074 | -0.044 | 23.751 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 81 | LYS | 1 | 0.826 | 0.929 | 24.831 | 11.122 | 11.122 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 82 | GLY | 0 | 0.046 | 0.030 | 25.783 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 83 | LEU | 0 | 0.021 | 0.000 | 24.441 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 84 | PRO | 0 | 0.005 | 0.021 | 21.161 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 85 | GLN | 0 | 0.099 | 0.042 | 19.643 | -0.583 | -0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 86 | HIS | 0 | 0.052 | 0.031 | 19.758 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 87 | GLU | -1 | -0.869 | -0.911 | 17.252 | -15.750 | -15.750 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 88 | GLU | -1 | -0.869 | -0.931 | 15.583 | -16.805 | -16.805 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 89 | ILE | 0 | 0.021 | 0.016 | 14.818 | -1.020 | -1.020 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 90 | CYS | 0 | -0.023 | -0.007 | 15.644 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 91 | LEU | 0 | -0.004 | -0.022 | 12.713 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 92 | GLY | 0 | 0.006 | 0.006 | 11.156 | -1.574 | -1.574 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 93 | LEU | 0 | 0.007 | 0.004 | 10.991 | -0.915 | -0.915 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 94 | PHE | 0 | -0.023 | -0.012 | 11.217 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 95 | THR | 0 | 0.018 | -0.015 | 6.306 | -0.898 | -0.898 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 96 | LEU | 0 | 0.045 | 0.045 | 7.117 | -1.605 | -1.605 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 97 | ILE | 0 | -0.048 | -0.011 | 8.602 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 98 | LEU | 0 | -0.045 | -0.031 | 7.517 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 99 | THR | 0 | -0.020 | -0.054 | 3.295 | -1.739 | -0.965 | 0.095 | -0.321 | -0.548 | 0.002 |
66 | A | 100 | GLU | -1 | -0.931 | -0.953 | 5.049 | -27.812 | -27.701 | -0.001 | -0.001 | -0.108 | 0.000 |
67 | A | 101 | PRO | 0 | 0.017 | -0.002 | 7.719 | 1.692 | 1.692 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 102 | ALA | 0 | -0.032 | -0.016 | 10.840 | 1.130 | 1.130 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 103 | GLN | 0 | 0.021 | 0.010 | 10.613 | 1.587 | 1.587 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 104 | ALA | 0 | 0.006 | 0.021 | 11.808 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 105 | GLN | 0 | 0.023 | -0.005 | 13.257 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 106 | LYS | 1 | 0.971 | 0.991 | 16.495 | 15.153 | 15.153 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 107 | CYS | 0 | 0.001 | 0.006 | 13.347 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 108 | TYR | 0 | 0.002 | -0.005 | 15.601 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 109 | ARG | 1 | 0.948 | 0.972 | 17.438 | 12.520 | 12.520 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 110 | ASP | -1 | -0.861 | -0.937 | 18.178 | -12.917 | -12.917 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 111 | LEU | 0 | -0.053 | -0.018 | 16.098 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 112 | ALA | 0 | -0.013 | -0.030 | 19.192 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 113 | LEU | 0 | -0.069 | -0.015 | 22.348 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 114 | VAL | 0 | -0.016 | -0.011 | 20.008 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 115 | SER | 0 | -0.021 | 0.005 | 21.613 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 116 | ARG | 1 | 0.931 | 0.951 | 23.218 | 10.764 | 10.764 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 117 | ASP | -1 | -0.842 | -0.940 | 23.080 | -12.064 | -12.064 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 118 | GLY | 0 | 0.002 | 0.005 | 25.530 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 119 | MET | 0 | 0.005 | 0.005 | 20.515 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 120 | ASN | 0 | 0.003 | 0.017 | 20.817 | -0.660 | -0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 121 | ILE | 0 | 0.015 | 0.000 | 17.408 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 122 | VAL | 0 | 0.001 | -0.002 | 15.571 | -0.840 | -0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 123 | LEU | 0 | 0.003 | -0.002 | 16.675 | -0.773 | -0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 124 | ASN | 0 | -0.028 | -0.003 | 18.953 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 125 | LYS | 1 | 0.927 | 0.973 | 12.575 | 17.997 | 17.997 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 126 | ILE | 0 | 0.038 | 0.031 | 14.346 | -1.064 | -1.064 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 127 | ASN | 0 | 0.043 | 0.009 | 15.605 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 128 | GLN | 0 | -0.014 | 0.001 | 14.394 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 129 | ILE | 0 | 0.007 | -0.004 | 9.740 | -0.444 | -0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 130 | LEU | 0 | -0.051 | -0.020 | 13.001 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 131 | MET | 0 | -0.034 | -0.019 | 15.358 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 132 | GLU | -1 | -0.926 | -0.965 | 14.071 | -17.780 | -17.780 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 133 | LYS | 1 | 0.808 | 0.877 | 9.430 | 23.845 | 23.845 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 134 | TYR | 0 | 0.081 | 0.049 | 10.374 | -1.769 | -1.769 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 135 | LEU | 0 | -0.012 | -0.025 | 11.772 | -0.669 | -0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 136 | LYS | 1 | 0.933 | 0.977 | 7.884 | 29.445 | 29.445 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 137 | LEU | 0 | -0.027 | 0.017 | 7.154 | -3.258 | -3.258 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 138 | GLN | 0 | 0.042 | 0.015 | 2.605 | 6.582 | 7.589 | 0.905 | -0.467 | -1.446 | -0.003 |
105 | A | 139 | ASP | -1 | -0.804 | -0.899 | 7.300 | -20.095 | -20.095 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 140 | THR | 0 | -0.003 | 0.001 | 6.166 | 2.309 | 2.309 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 141 | CYS | 0 | 0.056 | 0.040 | 5.473 | -0.126 | -0.041 | -0.001 | -0.021 | -0.063 | 0.000 |
108 | A | 142 | ARG | 1 | 0.855 | 0.933 | 8.053 | 22.681 | 22.681 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 143 | THR | 0 | -0.015 | -0.014 | 11.546 | 1.710 | 1.710 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 144 | GLN | 0 | -0.032 | -0.005 | 9.070 | 1.746 | 1.746 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 145 | LEU | 0 | 0.016 | 0.007 | 11.714 | 1.032 | 1.032 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 146 | VAL | 0 | -0.001 | 0.000 | 13.263 | 1.006 | 1.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 147 | TRP | 0 | -0.017 | -0.004 | 14.575 | 0.677 | 0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 148 | LEU | 0 | 0.029 | 0.007 | 13.686 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 149 | VAL | 0 | 0.003 | 0.000 | 16.311 | 0.683 | 0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 150 | ARG | 1 | 0.884 | 0.935 | 19.032 | 12.327 | 12.327 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 151 | GLU | -1 | -0.868 | -0.930 | 18.802 | -11.487 | -11.487 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 152 | LEU | 0 | -0.012 | -0.011 | 18.324 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 153 | VAL | 0 | -0.024 | -0.016 | 21.919 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 154 | LYS | 1 | 0.854 | 0.928 | 22.604 | 11.758 | 11.758 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 155 | SER | 0 | -0.037 | -0.008 | 23.710 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 156 | GLY | 0 | -0.043 | -0.008 | 25.998 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 157 | VAL | 0 | -0.016 | -0.003 | 22.774 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 158 | LEU | 0 | 0.015 | 0.002 | 25.901 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 159 | GLY | 0 | 0.033 | 0.016 | 25.692 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 160 | ALA | 0 | 0.037 | 0.008 | 23.610 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 161 | ASP | -1 | -0.816 | -0.915 | 24.417 | -10.333 | -10.333 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 162 | GLY | 0 | -0.013 | -0.016 | 25.615 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 163 | VAL | 0 | 0.007 | 0.011 | 19.588 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 164 | CYS | 0 | -0.007 | 0.000 | 21.590 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 165 | MET | 0 | -0.048 | -0.016 | 23.658 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 166 | THR | 0 | -0.035 | -0.016 | 19.324 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 167 | PHE | 0 | 0.014 | -0.010 | 15.803 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 168 | MET | 0 | 0.001 | 0.006 | 20.362 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 169 | LYS | 1 | 0.809 | 0.909 | 21.856 | 12.050 | 12.050 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 170 | GLN | 0 | -0.034 | -0.032 | 17.054 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 171 | ILE | 0 | -0.021 | 0.020 | 19.594 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 172 | ALA | 0 | 0.010 | 0.017 | 21.532 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 173 | GLY | 0 | 0.010 | 0.003 | 23.213 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 174 | GLY | 0 | -0.028 | -0.013 | 26.441 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 175 | ASP | -1 | -0.865 | -0.932 | 21.839 | -13.221 | -13.221 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 176 | VAL | 0 | 0.038 | 0.025 | 25.029 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 177 | THR | 0 | -0.047 | -0.021 | 20.916 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 178 | ALA | 0 | 0.053 | 0.012 | 20.026 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 179 | LYS | 1 | 0.868 | 0.917 | 12.952 | 19.633 | 19.633 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 180 | ASN | 0 | -0.017 | -0.019 | 18.312 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 181 | ILE | 0 | 0.003 | 0.004 | 20.628 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 182 | TRP | 0 | -0.005 | 0.007 | 15.183 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 183 | LEU | 0 | -0.008 | 0.010 | 17.612 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 184 | ALA | 0 | 0.002 | -0.001 | 20.263 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 185 | GLU | -1 | -0.862 | -0.925 | 23.880 | -10.335 | -10.335 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 186 | SER | 0 | -0.002 | -0.005 | 19.933 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 187 | VAL | 0 | -0.019 | -0.018 | 21.162 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 188 | LEU | 0 | 0.002 | 0.012 | 23.227 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 189 | ASP | -1 | -0.785 | -0.867 | 24.332 | -10.323 | -10.323 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 190 | ILE | 0 | -0.074 | -0.031 | 20.398 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 191 | LEU | 0 | -0.021 | -0.026 | 25.038 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 192 | THR | 0 | -0.047 | -0.041 | 28.040 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 193 | GLU | -1 | -0.889 | -0.929 | 25.742 | -10.159 | -10.159 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 194 | GLN | 0 | -0.017 | 0.005 | 26.519 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 195 | ARG | 1 | 0.864 | 0.905 | 29.764 | 7.841 | 7.841 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 196 | GLU | -1 | -0.936 | -0.973 | 32.761 | -7.827 | -7.827 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 197 | TRP | 0 | 0.006 | -0.013 | 26.588 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 198 | VAL | 0 | 0.012 | 0.002 | 29.676 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 199 | LEU | 0 | -0.037 | -0.018 | 31.951 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 200 | LYS | 1 | 0.919 | 0.978 | 33.140 | 8.779 | 8.779 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 201 | SER | 0 | -0.021 | -0.004 | 31.714 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 202 | SER | 0 | 0.051 | 0.009 | 34.144 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 203 | ILE | 0 | -0.040 | -0.026 | 31.501 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 204 | LEU | 0 | 0.028 | 0.016 | 28.111 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 205 | ILE | 0 | 0.044 | 0.033 | 31.480 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 206 | ALA | 0 | 0.002 | 0.005 | 34.209 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 207 | MET | 0 | -0.002 | -0.019 | 28.587 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 208 | ALA | 0 | 0.013 | 0.007 | 29.769 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 209 | VAL | 0 | 0.040 | 0.019 | 30.765 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 210 | TYR | 0 | 0.003 | -0.011 | 31.609 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 211 | THR | 0 | -0.040 | -0.039 | 26.805 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 212 | TYR | 0 | -0.006 | -0.028 | 25.785 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 213 | LEU | 0 | 0.003 | 0.010 | 31.225 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 214 | ARG | 1 | 0.719 | 0.833 | 30.516 | 9.684 | 9.684 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 215 | LEU | 0 | -0.027 | -0.021 | 26.411 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 216 | ILE | 0 | 0.041 | 0.036 | 30.331 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 217 | VAL | 0 | -0.052 | -0.029 | 33.331 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 218 | ASP | -1 | -0.756 | -0.840 | 29.726 | -9.678 | -9.678 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 219 | HIS | 1 | 0.766 | 0.879 | 27.344 | 10.008 | 10.008 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 220 | HIS | 0 | 0.005 | -0.009 | 31.994 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 221 | GLY | 0 | 0.051 | 0.030 | 33.509 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 222 | THR | 0 | 0.008 | 0.016 | 30.250 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 223 | ALA | 0 | 0.067 | 0.017 | 33.396 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 224 | GLN | 0 | 0.027 | 0.016 | 25.097 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 225 | LEU | 0 | -0.016 | -0.008 | 28.087 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 226 | GLN | 0 | -0.002 | 0.006 | 31.110 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 227 | ALA | 0 | 0.021 | 0.004 | 31.841 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 228 | LEU | 0 | 0.010 | 0.014 | 27.066 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 229 | ARG | 1 | 0.902 | 0.952 | 30.931 | 8.304 | 8.304 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 230 | GLN | 0 | -0.080 | -0.038 | 33.685 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 231 | LYS | 1 | 0.864 | 0.908 | 27.751 | 10.149 | 10.149 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 232 | GLU | -1 | -0.793 | -0.899 | 29.238 | -9.827 | -9.827 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 233 | VAL | 0 | -0.010 | -0.011 | 33.024 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 234 | ASP | -1 | -0.856 | -0.923 | 36.173 | -7.626 | -7.626 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 235 | PHE | 0 | -0.038 | -0.018 | 31.253 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 236 | CYS | 0 | -0.031 | -0.026 | 34.314 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 237 | ILE | 0 | 0.000 | 0.007 | 36.466 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 238 | SER | 0 | 0.013 | 0.019 | 37.608 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 239 | LEU | 0 | -0.005 | -0.004 | 33.777 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 240 | LEU | 0 | -0.024 | -0.017 | 38.411 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 241 | ARG | 1 | 0.852 | 0.908 | 40.979 | 6.713 | 6.713 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 242 | GLU | -1 | -0.845 | -0.874 | 40.471 | -7.190 | -7.190 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 243 | ARG | 1 | 0.869 | 0.927 | 38.880 | 7.482 | 7.482 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 244 | PHE | 0 | 0.065 | 0.036 | 41.193 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 245 | MET | 0 | -0.039 | -0.020 | 43.042 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 246 | GLU | -1 | -0.823 | -0.917 | 38.592 | -7.432 | -7.432 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 247 | CYS | 0 | -0.046 | -0.017 | 38.603 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 248 | LEU | 0 | -0.006 | -0.002 | 39.666 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 249 | MET | 0 | -0.065 | -0.017 | 36.678 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 250 | ILE | 0 | -0.091 | -0.033 | 36.129 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 251 | GLY | 0 | 0.053 | 0.037 | 38.513 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 252 | ARG | 1 | 0.816 | 0.880 | 41.426 | 6.706 | 6.706 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 253 | ASP | -1 | -0.771 | -0.869 | 37.757 | -7.845 | -7.845 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 254 | LEU | 0 | 0.010 | 0.018 | 38.631 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 255 | VAL | 0 | 0.033 | 0.014 | 39.962 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 256 | ARG | 1 | 0.855 | 0.939 | 35.409 | 8.144 | 8.144 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 257 | LEU | 0 | -0.040 | -0.026 | 34.831 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 258 | LEU | 0 | 0.051 | 0.021 | 38.549 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 259 | GLN | 0 | 0.034 | 0.019 | 41.283 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 260 | ASN | 0 | -0.063 | -0.032 | 37.682 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 261 | VAL | 0 | -0.002 | 0.008 | 37.391 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 262 | ALA | 0 | 0.002 | 0.003 | 40.497 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 263 | ARG | 1 | 0.930 | 0.959 | 43.664 | 6.777 | 6.777 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 264 | ILE | 0 | -0.019 | 0.015 | 38.561 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 265 | PRO | 0 | 0.081 | 0.042 | 42.927 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 266 | GLU | -1 | -0.799 | -0.901 | 41.664 | -7.107 | -7.107 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 267 | PHE | 0 | 0.009 | -0.022 | 38.118 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 268 | GLU | -1 | -0.961 | -0.966 | 43.905 | -6.077 | -6.077 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 269 | LEU | 0 | -0.066 | -0.040 | 47.186 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 270 | LEU | 0 | 0.003 | -0.006 | 43.039 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 271 | TRP | 0 | -0.017 | -0.033 | 44.224 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 272 | LYS | 1 | 0.935 | 0.974 | 48.296 | 5.969 | 5.969 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 273 | ASP | -1 | -0.817 | -0.893 | 49.222 | -5.962 | -5.962 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 274 | ILE | 0 | -0.050 | -0.030 | 45.124 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 275 | ILE | 0 | -0.071 | -0.042 | 49.718 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 276 | HIS | 0 | -0.019 | -0.012 | 52.702 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 277 | ASN | 0 | -0.047 | -0.010 | 53.781 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 278 | PRO | 0 | 0.041 | 0.035 | 51.337 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 279 | GLN | 0 | 0.021 | -0.018 | 51.106 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 280 | ALA | 0 | -0.042 | -0.002 | 51.812 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 281 | LEU | 0 | -0.049 | -0.018 | 46.186 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 282 | SER | 0 | 0.000 | -0.021 | 47.663 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 283 | PRO | 0 | 0.042 | 0.029 | 49.829 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 284 | GLN | 0 | 0.015 | 0.006 | 49.267 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 285 | PHE | 0 | -0.073 | -0.031 | 48.564 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 286 | THR | 0 | 0.029 | 0.012 | 50.744 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 287 | GLY | 0 | 0.069 | 0.022 | 52.318 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 288 | ILE | 0 | 0.026 | 0.013 | 47.579 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 289 | LEU | 0 | 0.015 | 0.013 | 49.387 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 290 | GLN | 0 | 0.036 | 0.017 | 48.960 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 291 | LEU | 0 | -0.009 | 0.009 | 43.170 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 292 | LEU | 0 | -0.001 | -0.010 | 45.816 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 293 | GLN | 0 | -0.019 | -0.002 | 47.480 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 294 | SER | 0 | 0.004 | 0.013 | 44.677 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 295 | ARG | 1 | 0.996 | 1.003 | 38.954 | 7.364 | 7.364 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 296 | THR | 0 | 0.028 | 0.013 | 36.673 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 297 | SER | 0 | -0.087 | -0.040 | 36.222 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 298 | ARG | 1 | 1.020 | 0.980 | 33.293 | 8.330 | 8.330 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 299 | LYS | 1 | 0.966 | 0.995 | 30.878 | 8.618 | 8.618 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 300 | PHE | 0 | 0.052 | 0.027 | 30.456 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 301 | LEU | 0 | -0.008 | 0.014 | 31.756 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 302 | ALA | 0 | 0.016 | -0.004 | 28.276 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 303 | CYS | 0 | -0.095 | -0.026 | 26.737 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 304 | ARG | 1 | 0.868 | 0.915 | 25.251 | 10.691 | 10.691 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 305 | LEU | 0 | -0.025 | 0.007 | 25.946 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 306 | THR | 0 | 0.068 | 0.029 | 20.271 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 307 | PRO | 0 | 0.078 | 0.025 | 18.552 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 308 | ASP | -1 | -0.768 | -0.799 | 18.337 | -14.564 | -14.564 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 309 | MET | 0 | -0.022 | 0.018 | 20.339 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 310 | GLU | -1 | -0.769 | -0.860 | 23.808 | -10.901 | -10.901 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 311 | THR | 0 | -0.006 | -0.004 | 21.377 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 312 | LYS | 1 | 0.816 | 0.908 | 20.013 | 14.705 | 14.705 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 313 | LEU | 0 | 0.022 | 0.001 | 25.099 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 314 | LEU | 0 | 0.009 | 0.010 | 26.611 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 315 | PHE | 0 | -0.007 | 0.022 | 26.290 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 316 | MET | 0 | -0.052 | -0.039 | 28.379 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 317 | THR | 0 | -0.025 | -0.017 | 30.879 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 318 | SER | 0 | -0.021 | -0.022 | 30.636 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 319 | ARG | 1 | 0.920 | 0.959 | 28.319 | 10.419 | 10.419 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 320 | VAL | 0 | -0.037 | 0.014 | 30.768 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 321 | ARG | 1 | 1.004 | 1.020 | 33.307 | 8.191 | 8.191 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 322 | PHE | 0 | 0.008 | -0.017 | 36.944 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 323 | GLY | 0 | -0.022 | -0.007 | 38.869 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 324 | GLN | 0 | -0.061 | -0.039 | 34.898 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 325 | GLN | 0 | 0.102 | 0.047 | 33.622 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 326 | LYS | 1 | 0.872 | 0.933 | 33.088 | 8.748 | 8.748 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 327 | ARG | 1 | 1.012 | 0.996 | 29.388 | 9.916 | 9.916 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 328 | TYR | 0 | 0.055 | 0.034 | 27.286 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 329 | GLN | 0 | 0.020 | 0.017 | 28.462 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 330 | ASP | -1 | -0.826 | -0.907 | 30.027 | -9.695 | -9.695 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 331 | TRP | 0 | -0.073 | -0.043 | 24.801 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 332 | PHE | 0 | 0.039 | 0.023 | 25.319 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 333 | GLN | 0 | 0.038 | -0.005 | 26.528 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 334 | ARG | 1 | 0.917 | 0.966 | 24.815 | 11.242 | 11.242 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 335 | GLN | 0 | -0.019 | 0.001 | 18.845 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 336 | TYR | 0 | -0.052 | -0.111 | 20.608 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 337 | LEU | 0 | -0.077 | -0.033 | 25.667 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 338 | SER | 0 | 0.006 | -0.008 | 27.768 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 339 | THR | 0 | 0.043 | 0.037 | 26.410 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 340 | PRO | 0 | 0.039 | 0.030 | 29.621 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 341 | ASP | -1 | -0.867 | -0.939 | 28.988 | -9.706 | -9.706 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 342 | SER | 0 | -0.002 | -0.011 | 28.355 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 343 | GLN | 0 | -0.017 | -0.024 | 29.923 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 344 | SER | 0 | -0.029 | -0.051 | 31.679 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 345 | LEU | 0 | 0.014 | 0.011 | 27.008 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 346 | ARG | 1 | 0.821 | 0.905 | 30.910 | 9.307 | 9.307 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 347 | CYS | 0 | -0.014 | -0.005 | 33.666 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 348 | ASP | -1 | -0.790 | -0.872 | 30.709 | -9.368 | -9.368 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 349 | LEU | 0 | 0.001 | -0.001 | 28.412 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 350 | ILE | 0 | -0.005 | 0.001 | 32.170 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 351 | ARG | 1 | 0.794 | 0.869 | 35.158 | 7.865 | 7.865 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 352 | TYR | 0 | -0.024 | -0.026 | 28.486 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 353 | ILE | 0 | -0.015 | -0.011 | 32.818 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 354 | CYS | 0 | -0.027 | -0.012 | 35.208 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 355 | GLY | 0 | 0.015 | 0.005 | 36.992 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 356 | VAL | 0 | -0.072 | -0.038 | 31.230 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 357 | VAL | 0 | -0.022 | -0.006 | 32.341 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 358 | HIS | 0 | -0.061 | -0.039 | 34.840 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 359 | PRO | 0 | -0.002 | -0.007 | 36.676 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 360 | SER | 0 | 0.059 | 0.028 | 37.776 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 361 | ASN | 0 | 0.033 | -0.007 | 39.694 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 362 | GLU | -1 | -0.884 | -0.929 | 39.643 | -7.333 | -7.333 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 363 | VAL | 0 | -0.018 | -0.003 | 36.086 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 364 | LEU | 0 | -0.063 | -0.016 | 39.335 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 365 | SER | 0 | -0.072 | -0.020 | 42.334 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 366 | SER | 0 | 0.014 | -0.012 | 40.210 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 367 | ASP | -1 | -0.907 | -0.959 | 40.086 | -7.760 | -7.760 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 368 | ILE | 0 | -0.010 | 0.002 | 35.385 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 369 | LEU | 0 | -0.070 | -0.043 | 34.152 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 370 | PRO | 0 | 0.046 | 0.034 | 37.098 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 371 | ARG | 1 | 0.866 | 0.904 | 36.833 | 7.751 | 7.751 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 372 | TRP | 0 | 0.070 | 0.033 | 38.543 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 373 | ALA | 0 | 0.013 | 0.012 | 39.177 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 374 | ILE | 0 | -0.002 | 0.004 | 33.091 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 375 | ILE | 0 | 0.005 | -0.003 | 36.622 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 376 | GLY | 0 | 0.018 | 0.002 | 38.655 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 377 | TRP | 0 | -0.026 | -0.013 | 30.397 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 378 | LEU | 0 | 0.029 | 0.010 | 32.450 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 379 | LEU | 0 | 0.012 | 0.005 | 36.312 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 380 | THR | 0 | -0.066 | -0.025 | 38.750 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 381 | THR | 0 | -0.068 | -0.015 | 34.130 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 382 | CYS | 0 | -0.072 | -0.031 | 36.391 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 383 | THR | 0 | 0.020 | 0.013 | 36.870 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 384 | SER | 0 | 0.015 | 0.020 | 38.934 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 385 | ASN | 0 | 0.055 | -0.005 | 41.026 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 386 | VAL | 0 | 0.031 | 0.024 | 40.183 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 387 | ALA | 0 | 0.030 | 0.018 | 37.714 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 388 | ALA | 0 | 0.047 | 0.021 | 39.579 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 389 | SER | 0 | -0.053 | -0.031 | 41.932 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 390 | ASN | 0 | 0.039 | 0.011 | 39.530 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 391 | ALA | 0 | 0.019 | 0.006 | 39.068 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 392 | LYS | 1 | 0.917 | 0.973 | 40.330 | 6.671 | 6.671 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 393 | LEU | 0 | 0.025 | 0.024 | 43.208 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 394 | ALA | 0 | -0.027 | -0.030 | 38.786 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 395 | LEU | 0 | -0.041 | -0.024 | 40.906 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 396 | PHE | 0 | 0.007 | -0.012 | 42.120 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 397 | TYR | 0 | -0.011 | -0.003 | 42.465 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 398 | ASP | -1 | -0.811 | -0.897 | 41.907 | -7.264 | -7.264 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 399 | TRP | 0 | -0.007 | -0.008 | 45.195 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 400 | LEU | 0 | -0.040 | -0.014 | 47.178 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 401 | PHE | 0 | 0.017 | -0.004 | 48.924 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 402 | PHE | 0 | -0.057 | -0.011 | 47.594 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 403 | SER | 0 | -0.084 | -0.099 | 49.840 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 404 | PRO | 0 | 0.023 | 0.008 | 50.122 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 405 | ASP | -1 | -0.827 | -0.825 | 50.532 | -6.008 | -6.008 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 406 | LYS | 1 | 0.924 | 0.962 | 47.900 | 5.891 | 5.891 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 407 | ASP | -1 | -0.851 | -0.941 | 45.726 | -6.836 | -6.836 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 408 | SER | 0 | 0.013 | 0.012 | 42.871 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 409 | ILE | 0 | 0.040 | 0.004 | 45.391 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 410 | MET | 0 | -0.011 | -0.001 | 41.475 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 411 | ASN | 0 | -0.025 | -0.009 | 40.365 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 412 | ILE | 0 | 0.007 | 0.015 | 42.704 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 413 | GLU | -1 | -0.936 | -0.975 | 43.022 | -7.221 | -7.221 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 414 | PRO | 0 | 0.042 | 0.016 | 40.820 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 415 | ALA | 0 | 0.034 | 0.014 | 43.325 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 416 | ILE | 0 | 0.041 | 0.014 | 45.619 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 417 | LEU | 0 | -0.005 | 0.008 | 44.928 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 418 | VAL | 0 | -0.016 | 0.001 | 42.850 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 419 | MET | 0 | -0.046 | 0.020 | 45.661 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 420 | HIS | 0 | 0.033 | 0.042 | 49.212 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 421 | HIS | 0 | -0.025 | -0.017 | 46.590 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 422 | SER | 0 | -0.060 | -0.054 | 46.544 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 423 | MET | 0 | 0.016 | 0.039 | 48.476 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 424 | LYS | 1 | 0.910 | 0.934 | 51.911 | 6.117 | 6.117 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 425 | PRO | 0 | -0.024 | -0.011 | 47.767 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 426 | HIS | 0 | 0.035 | 0.017 | 44.658 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 427 | PRO | 0 | 0.060 | 0.020 | 49.220 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 428 | ALA | 0 | 0.039 | 0.022 | 49.582 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 429 | ILE | 0 | 0.003 | 0.003 | 44.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 430 | THR | 0 | 0.005 | -0.038 | 48.211 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 431 | ALA | 0 | 0.034 | 0.016 | 50.686 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 432 | THR | 0 | -0.032 | -0.010 | 47.510 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 433 | LEU | 0 | -0.003 | -0.007 | 45.375 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 434 | LEU | 0 | 0.053 | 0.016 | 49.476 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 435 | ASP | -1 | -0.844 | -0.910 | 53.034 | -5.661 | -5.661 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 436 | PHE | 0 | -0.044 | -0.024 | 46.963 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 437 | MET | 0 | -0.018 | 0.000 | 51.292 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 438 | CYS | 0 | 0.000 | 0.006 | 52.254 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 439 | ARG | 1 | 0.891 | 0.934 | 53.711 | 5.615 | 5.615 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 440 | ILE | 0 | 0.004 | 0.008 | 48.968 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 441 | ILE | 0 | -0.027 | -0.011 | 52.524 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 442 | PRO | 0 | -0.017 | -0.006 | 55.099 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 443 | ASN | 0 | -0.066 | -0.048 | 53.887 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 444 | PHE | 0 | -0.056 | -0.009 | 46.611 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 445 | TYR | 0 | 0.052 | -0.004 | 51.374 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 446 | PRO | 0 | 0.057 | 0.043 | 53.591 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 447 | PRO | 0 | 0.000 | 0.010 | 56.040 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 448 | LEU | 0 | -0.043 | -0.019 | 52.820 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 449 | GLU | -1 | -0.808 | -0.887 | 56.107 | -5.230 | -5.230 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 450 | GLY | 0 | -0.026 | -0.021 | 57.723 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 451 | HIS | 0 | 0.009 | -0.007 | 54.975 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 452 | VAL | 0 | 0.024 | 0.025 | 52.380 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 453 | ARG | 1 | 0.882 | 0.929 | 54.510 | 5.112 | 5.112 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 454 | GLN | 0 | 0.010 | 0.004 | 57.037 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 455 | GLY | 0 | 0.072 | 0.050 | 53.007 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 456 | VAL | 0 | 0.003 | -0.004 | 52.061 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 457 | PHE | 0 | 0.000 | 0.003 | 53.704 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 458 | SER | 0 | 0.033 | 0.014 | 54.316 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 459 | SER | 0 | -0.049 | -0.040 | 50.708 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 460 | LEU | 0 | -0.049 | -0.025 | 52.304 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 461 | ASN | 0 | 0.047 | 0.021 | 54.447 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 462 | HIS | 0 | 0.039 | 0.012 | 49.956 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 463 | ILE | 0 | -0.049 | -0.035 | 49.662 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 464 | VAL | 0 | -0.013 | 0.002 | 52.487 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 465 | GLU | -1 | -0.969 | -0.986 | 55.344 | -5.524 | -5.524 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 466 | LYS | 1 | 0.925 | 0.971 | 49.258 | 6.227 | 6.227 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 467 | ARG | 1 | 0.857 | 0.925 | 52.070 | 5.375 | 5.375 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 468 | VAL | 0 | 0.018 | 0.031 | 48.375 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 469 | LEU | 0 | -0.019 | -0.015 | 50.766 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 470 | ALA | 0 | -0.050 | -0.022 | 53.246 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 471 | HIS | 0 | 0.046 | 0.014 | 56.751 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 472 | LEU | 0 | 0.066 | 0.037 | 54.769 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 473 | ALA | 0 | 0.073 | 0.058 | 58.147 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 474 | PRO | 0 | -0.029 | -0.014 | 58.466 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 475 | LEU | 0 | -0.035 | -0.015 | 53.111 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 476 | PHE | 0 | 0.032 | -0.025 | 55.077 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 477 | ASP | -1 | -0.828 | -0.913 | 59.081 | -4.842 | -4.842 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 478 | ASN | 0 | -0.028 | -0.005 | 58.227 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 479 | PRO | 0 | 0.003 | -0.012 | 60.512 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 480 | LYS | 1 | 0.867 | 0.939 | 54.768 | 5.758 | 5.758 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 481 | LEU | 0 | -0.045 | -0.005 | 55.628 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 482 | ASP | -1 | -0.859 | -0.929 | 58.738 | -5.130 | -5.130 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 483 | LYS | 1 | 0.972 | 0.966 | 60.690 | 4.698 | 4.698 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 484 | GLU | -1 | -0.915 | -0.947 | 60.521 | -5.160 | -5.160 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 485 | LEU | 0 | 0.020 | 0.014 | 55.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 486 | ARG | 1 | 0.872 | 0.934 | 60.100 | 4.966 | 4.966 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 487 | ALA | 0 | -0.037 | -0.012 | 62.165 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 488 | MET | 0 | 0.020 | 0.017 | 58.118 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 489 | LEU | 0 | -0.002 | -0.016 | 56.817 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 490 | ARG | 1 | 0.896 | 0.934 | 60.858 | 4.788 | 4.788 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 491 | GLU | -1 | -0.981 | -0.984 | 64.384 | -4.749 | -4.749 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 492 | LYS | 1 | 0.874 | 0.941 | 58.433 | 5.295 | 5.295 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 493 | PHE | 0 | -0.032 | -0.024 | 56.410 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 494 | PRO | 0 | 0.047 | 0.027 | 61.917 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 495 | GLU | -1 | -0.896 | -0.958 | 63.213 | -4.966 | -4.966 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 496 | PHE | 0 | -0.045 | -0.013 | 59.081 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 497 | CYS | 0 | -0.080 | -0.020 | 61.582 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |