FMODB ID: VQR41
Calculation Name: 2IM9-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2IM9
Chain ID: A
UniProt ID: Q5ZY11
Base Structure: X-ray
Registration Date: 2023-09-21
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 | 304 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4730271.612122 |
---|---|
FMO2-HF: Nuclear repulsion | 4609100.859374 |
FMO2-HF: Total energy | -121170.752748 |
FMO2-MP2: Total energy | -121530.610437 |
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:49:ASN)
Summations of interaction energy for
fragment #1(A:49:ASN)
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. |
-25.272 | -17.896 | 6.001 | -5.45 | -7.928 | 0.021 |
Interaction energy analysis for fragmet #1(A:49:ASN)
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 | 51 | ALA | 0 | 0.029 | 0.017 | 2.796 | -5.413 | -2.122 | 0.477 | -1.601 | -2.168 | 0.012 |
4 | A | 52 | ALA | 0 | 0.055 | 0.033 | 2.211 | -9.444 | -7.811 | 3.971 | -2.092 | -3.511 | 0.022 |
5 | A | 53 | ILE | 0 | -0.009 | -0.002 | 3.628 | -2.934 | -1.987 | 0.036 | -0.325 | -0.658 | 0.001 |
6 | A | 54 | GLU | -1 | -0.729 | -0.836 | 5.598 | 1.955 | 1.955 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 55 | GLU | -1 | -0.944 | -0.959 | 6.825 | 1.380 | 1.380 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 56 | GLN | 0 | 0.016 | 0.005 | 7.933 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 57 | ALA | 0 | -0.016 | -0.014 | 9.657 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 58 | ASN | 0 | 0.059 | 0.043 | 11.110 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 59 | SER | 0 | -0.011 | 0.004 | 12.884 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 60 | SER | 0 | 0.011 | -0.005 | 13.543 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 61 | ILE | 0 | 0.016 | 0.012 | 15.011 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 62 | ARG | 1 | 0.829 | 0.912 | 17.330 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 63 | LYS | 1 | 0.953 | 0.969 | 17.494 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 64 | LEU | 0 | 0.022 | 0.022 | 19.901 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 65 | TYR | 0 | -0.007 | -0.030 | 20.889 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 66 | HIS | 0 | -0.005 | 0.015 | 22.549 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 67 | THR | 0 | 0.010 | 0.013 | 24.370 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 68 | LEU | 0 | -0.012 | -0.015 | 24.935 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 69 | ASN | 0 | -0.053 | -0.051 | 26.553 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 70 | THR | 0 | -0.056 | -0.004 | 29.511 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 71 | MET | 0 | -0.036 | -0.018 | 29.101 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 72 | PRO | 0 | 0.019 | 0.011 | 31.461 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 73 | ASN | 0 | -0.071 | -0.041 | 32.528 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 74 | THR | 0 | 0.036 | 0.031 | 33.136 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 75 | SER | 0 | 0.027 | 0.016 | 34.483 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 76 | MET | 0 | 0.048 | 0.021 | 30.366 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 77 | ALA | 0 | 0.014 | 0.006 | 31.362 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 78 | ASP | -1 | -0.871 | -0.939 | 31.952 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 79 | ARG | 1 | 0.850 | 0.927 | 27.084 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 80 | ILE | 0 | 0.008 | 0.009 | 27.224 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 81 | SER | 0 | 0.001 | 0.027 | 27.270 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 82 | GLN | 0 | 0.020 | 0.002 | 28.044 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 83 | ILE | 0 | 0.002 | 0.002 | 22.348 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 84 | SER | 0 | -0.038 | -0.050 | 23.110 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 85 | ALA | 0 | -0.010 | -0.010 | 23.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 86 | TYR | 0 | -0.026 | 0.004 | 18.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 87 | PHE | 0 | -0.002 | 0.002 | 16.625 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 88 | LYS | 1 | 0.888 | 0.933 | 20.181 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 89 | GLY | 0 | -0.049 | -0.021 | 21.348 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 90 | THR | 0 | -0.024 | 0.003 | 15.184 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 91 | LYS | 1 | 0.947 | 0.982 | 10.046 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 92 | TYR | 0 | 0.027 | 0.007 | 15.131 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 93 | ILE | 0 | -0.062 | -0.028 | 9.294 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 94 | LEU | 0 | 0.045 | 0.029 | 13.043 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 95 | GLY | 0 | 0.044 | 0.032 | 12.406 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 96 | SER | 0 | -0.002 | -0.014 | 10.509 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 97 | LEU | 0 | -0.041 | -0.004 | 9.322 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 98 | GLY | 0 | 0.002 | 0.001 | 10.184 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 99 | GLU | -1 | -0.845 | -0.890 | 11.104 | 0.681 | 0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 100 | GLY | 0 | 0.008 | 0.011 | 8.966 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 101 | PRO | 0 | 0.047 | 0.007 | 5.778 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 102 | ASN | 0 | -0.038 | -0.020 | 7.684 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 103 | ALA | 0 | -0.012 | 0.026 | 10.081 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 104 | ARG | 1 | 0.821 | 0.889 | 12.098 | -0.443 | -0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 105 | TYR | 0 | -0.021 | -0.060 | 14.383 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 106 | ASP | -1 | -0.696 | -0.836 | 10.062 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 107 | GLN | 0 | -0.042 | -0.013 | 7.321 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 108 | PHE | 0 | 0.033 | 0.052 | 5.840 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 109 | PRO | 0 | -0.010 | 0.002 | 5.187 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 110 | ARG | 1 | 0.759 | 0.834 | 7.671 | -2.435 | -2.435 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 111 | TYR | 0 | -0.029 | -0.057 | 10.685 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 112 | ARG | 1 | 0.782 | 0.852 | 6.456 | -0.928 | -0.928 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 113 | VAL | 0 | 0.027 | 0.004 | 11.099 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 114 | ASP | -1 | -0.785 | -0.847 | 8.595 | 1.032 | 1.032 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 115 | GLY | 0 | -0.004 | -0.030 | 11.761 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 116 | PHE | 0 | -0.038 | -0.012 | 12.661 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 117 | ASP | -1 | -0.772 | -0.875 | 14.819 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 118 | CYS | 0 | 0.017 | -0.003 | 16.673 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 119 | ASP | -1 | -0.835 | -0.911 | 18.449 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 120 | THR | 0 | -0.066 | -0.050 | 13.974 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 121 | TYR | 0 | -0.019 | -0.005 | 16.935 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 122 | VAL | 0 | 0.058 | 0.039 | 18.868 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 123 | ASN | 0 | 0.046 | 0.016 | 18.713 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 124 | THR | 0 | -0.048 | -0.030 | 16.511 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 125 | VAL | 0 | 0.017 | 0.012 | 18.807 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 126 | LEU | 0 | 0.005 | 0.007 | 22.020 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 127 | SER | 0 | -0.022 | -0.015 | 20.517 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 128 | LEU | 0 | -0.012 | -0.012 | 18.800 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 129 | ALA | 0 | 0.008 | 0.023 | 22.661 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 130 | LEU | 0 | 0.043 | 0.016 | 25.797 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 131 | ALA | 0 | -0.006 | 0.028 | 23.608 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 132 | ASN | 0 | 0.031 | 0.007 | 25.637 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 133 | SER | 0 | 0.027 | 0.035 | 22.989 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 134 | LEU | 0 | 0.022 | 0.017 | 15.165 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 135 | GLU | -1 | -0.787 | -0.889 | 18.765 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 136 | SER | 0 | 0.019 | -0.001 | 20.246 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 137 | PHE | 0 | 0.044 | 0.014 | 15.716 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 138 | GLN | 0 | -0.030 | -0.017 | 14.208 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 139 | GLU | -1 | -0.974 | -0.980 | 18.281 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 140 | CYS | 0 | -0.026 | -0.003 | 21.407 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 141 | LEU | 0 | 0.010 | 0.027 | 15.542 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 142 | LYS | 1 | 0.856 | 0.932 | 18.698 | -0.609 | -0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 143 | HIS | 0 | 0.004 | -0.031 | 19.864 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 144 | THR | 0 | -0.018 | 0.018 | 21.788 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 145 | ARG | 1 | 0.883 | 0.946 | 13.805 | -0.758 | -0.758 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 146 | TYR | 0 | -0.076 | -0.065 | 15.131 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 147 | LYS | 1 | 1.021 | 1.030 | 21.593 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 148 | ASN | 0 | -0.071 | -0.055 | 24.950 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 149 | GLY | 0 | 0.070 | 0.052 | 22.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 150 | LYS | 1 | 0.890 | 0.947 | 22.192 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 151 | ARG | 1 | 0.958 | 0.982 | 14.597 | -0.969 | -0.969 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 152 | SER | 0 | -0.014 | -0.011 | 18.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 153 | TYR | 0 | 0.113 | 0.042 | 15.454 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 154 | ILE | 0 | 0.017 | 0.002 | 18.065 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 155 | ASN | 0 | -0.049 | -0.016 | 21.283 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 156 | ARG | 1 | 0.769 | 0.874 | 13.497 | -0.528 | -0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 157 | ASN | 0 | -0.018 | -0.026 | 20.090 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 158 | HIS | 0 | -0.064 | -0.039 | 17.544 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 159 | PHE | 0 | 0.031 | 0.025 | 21.683 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 160 | THR | 0 | 0.074 | 0.030 | 24.487 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 161 | SER | 0 | 0.012 | -0.010 | 26.120 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 162 | ILE | 0 | -0.003 | -0.017 | 28.586 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 163 | ASP | -1 | -0.822 | -0.876 | 25.188 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 164 | TRP | 0 | -0.054 | -0.041 | 22.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 165 | ASN | 0 | 0.034 | -0.001 | 26.155 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 166 | ASN | 0 | 0.026 | 0.031 | 29.546 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 167 | TYR | 0 | -0.025 | -0.032 | 27.034 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 168 | ASN | 0 | 0.019 | 0.007 | 24.782 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 169 | GLN | 0 | -0.021 | -0.004 | 29.122 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 170 | LYS | 1 | 0.867 | 0.932 | 32.594 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 171 | ARG | 1 | 0.799 | 0.907 | 25.749 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 172 | GLY | 0 | 0.055 | 0.026 | 32.407 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 173 | LEU | 0 | -0.025 | -0.006 | 26.606 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 174 | LEU | 0 | -0.010 | -0.007 | 27.928 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 175 | LYS | 1 | 0.974 | 0.989 | 32.184 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 176 | ASP | -1 | -0.775 | -0.857 | 35.370 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 177 | ILE | 0 | -0.015 | -0.021 | 36.321 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 178 | THR | 0 | 0.023 | 0.022 | 37.017 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 179 | PHE | 0 | 0.035 | -0.002 | 39.251 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 180 | SER | 0 | -0.121 | -0.069 | 41.538 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 181 | ILE | 0 | 0.040 | 0.033 | 39.220 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 182 | ARG | 1 | 0.887 | 0.946 | 43.552 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 183 | ASN | 0 | 0.077 | 0.030 | 47.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 184 | GLU | -1 | -0.870 | -0.945 | 49.546 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 185 | LYS | 1 | 0.910 | 0.964 | 52.610 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 186 | LYS | 1 | 0.906 | 0.955 | 51.213 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 187 | GLN | 0 | 0.006 | -0.001 | 51.003 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 188 | PRO | 0 | -0.002 | 0.005 | 45.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 189 | VAL | 0 | 0.007 | 0.004 | 44.140 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 190 | ALA | 0 | -0.065 | -0.021 | 41.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 191 | LEU | 0 | -0.004 | 0.004 | 41.927 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 192 | TYR | 0 | 0.029 | 0.004 | 40.177 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 193 | ALA | 0 | -0.048 | -0.016 | 36.250 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 194 | ASN | 0 | 0.018 | 0.002 | 36.955 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 195 | ALA | 0 | 0.029 | 0.032 | 33.029 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 196 | LEU | 0 | -0.006 | -0.006 | 34.676 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 197 | ILE | 0 | -0.019 | -0.002 | 28.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 198 | ASN | 0 | 0.037 | 0.017 | 31.190 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 199 | LYS | 1 | 0.890 | 0.917 | 26.212 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 200 | PRO | 0 | -0.001 | 0.020 | 27.472 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 201 | GLN | 0 | 0.028 | 0.014 | 28.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 202 | TRP | 0 | 0.057 | 0.026 | 20.640 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 203 | TYR | 0 | -0.023 | -0.039 | 21.387 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 204 | ASN | 0 | -0.062 | -0.028 | 24.493 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 205 | HIS | 0 | 0.025 | 0.026 | 25.769 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 206 | LYS | 1 | 0.813 | 0.956 | 19.124 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 207 | THR | 0 | 0.071 | 0.029 | 19.681 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 208 | ILE | 0 | 0.051 | -0.001 | 17.123 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 209 | ASP | -1 | -0.886 | -0.925 | 14.952 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 210 | THR | 0 | -0.120 | -0.061 | 14.164 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 211 | ILE | 0 | -0.088 | -0.027 | 13.570 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 212 | ARG | 1 | 0.840 | 0.907 | 8.719 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 213 | LEU | 0 | -0.005 | -0.009 | 9.082 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 214 | GLN | 0 | 0.035 | 0.008 | 2.580 | -2.966 | -1.461 | 1.517 | -1.432 | -1.591 | -0.014 |
167 | A | 215 | LYS | 1 | 0.960 | 0.993 | 6.266 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 216 | GLN | 0 | 0.009 | -0.005 | 8.927 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 217 | ASP | -1 | -0.840 | -0.935 | 11.286 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 218 | LYS | 1 | 1.008 | 0.996 | 14.839 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 219 | ASN | 0 | 0.075 | 0.045 | 17.128 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 220 | GLU | -1 | -0.825 | -0.890 | 15.333 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 221 | GLN | 0 | -0.077 | -0.062 | 14.216 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 222 | GLU | -1 | -0.902 | -0.945 | 16.735 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 223 | LYS | 1 | 0.957 | 0.987 | 20.208 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 224 | ARG | 1 | 0.753 | 0.851 | 13.206 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 225 | LEU | 0 | 0.023 | 0.013 | 19.154 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 226 | VAL | 0 | 0.019 | 0.019 | 20.340 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 227 | GLU | -1 | -0.769 | -0.816 | 20.657 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 228 | LEU | 0 | -0.039 | -0.019 | 18.277 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 229 | LYS | 1 | 0.863 | 0.929 | 21.934 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 230 | ALA | 0 | -0.007 | 0.014 | 24.782 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 231 | LYS | 1 | 0.944 | 0.977 | 24.335 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 232 | GLY | 0 | 0.038 | 0.005 | 25.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 233 | LYS | 1 | 0.938 | 0.963 | 26.316 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 234 | THR | 0 | -0.074 | -0.044 | 29.066 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 235 | LEU | 0 | -0.056 | -0.008 | 25.403 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 236 | GLU | -1 | -0.878 | -0.944 | 30.117 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 237 | THR | 0 | -0.020 | -0.022 | 31.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 238 | SER | 0 | -0.054 | -0.026 | 32.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 239 | LEU | 0 | 0.017 | 0.018 | 33.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 240 | SER | 0 | -0.067 | -0.047 | 33.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 241 | ASN | 0 | 0.042 | 0.012 | 35.096 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 242 | VAL | 0 | -0.020 | -0.015 | 33.001 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 243 | PRO | 0 | -0.001 | 0.010 | 36.104 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 244 | TYR | 0 | -0.008 | -0.013 | 36.705 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 245 | ILE | 0 | 0.044 | 0.017 | 38.287 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 246 | PRO | 0 | 0.028 | 0.023 | 39.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 247 | PHE | 0 | 0.081 | 0.009 | 35.459 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 248 | THR | 0 | -0.044 | -0.021 | 41.492 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 249 | ALA | 0 | 0.009 | 0.012 | 44.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 250 | LEU | 0 | -0.010 | -0.016 | 39.060 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 251 | PHE | 0 | -0.007 | -0.004 | 39.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 252 | SER | 0 | 0.020 | 0.021 | 44.745 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 253 | GLU | -1 | -0.921 | -0.979 | 48.251 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 254 | ASN | 0 | -0.028 | 0.010 | 46.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 255 | LYS | 1 | 0.968 | 0.994 | 46.632 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 256 | PRO | 0 | 0.048 | 0.023 | 42.831 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 257 | ASN | 0 | 0.006 | 0.006 | 44.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 258 | LEU | 0 | 0.034 | -0.006 | 44.353 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 259 | HIS | 0 | 0.057 | 0.042 | 45.184 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 260 | LEU | 0 | -0.034 | -0.007 | 43.208 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 261 | PHE | 0 | 0.016 | -0.006 | 37.888 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 262 | SER | 0 | -0.059 | -0.028 | 40.537 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 263 | GLN | 0 | -0.013 | -0.018 | 42.404 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 264 | ILE | 0 | -0.038 | 0.000 | 35.754 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 265 | PRO | 0 | 0.031 | 0.023 | 36.588 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 266 | ASN | 0 | 0.043 | 0.023 | 34.134 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 267 | GLY | 0 | 0.008 | -0.009 | 31.051 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 268 | ALA | 0 | -0.030 | 0.002 | 31.017 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 269 | VAL | 0 | -0.006 | -0.010 | 27.491 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 270 | ILE | 0 | -0.007 | -0.006 | 29.348 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 271 | GLU | -1 | -0.811 | -0.919 | 27.947 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 272 | ILE | 0 | -0.020 | -0.016 | 29.096 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 273 | ILE | 0 | 0.009 | -0.002 | 30.339 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 274 | ARG | 1 | 0.881 | 0.907 | 28.974 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 275 | PRO | 0 | -0.011 | -0.011 | 33.907 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 276 | ASN | 0 | 0.018 | 0.015 | 36.720 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 277 | TRP | 0 | -0.019 | -0.008 | 27.060 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 278 | ASP | -1 | -0.821 | -0.926 | 32.862 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 279 | LEU | 0 | -0.020 | -0.005 | 27.402 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 280 | ARG | 1 | 0.909 | 0.946 | 29.721 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 281 | GLN | 0 | -0.006 | 0.002 | 31.104 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 282 | GLN | 0 | 0.042 | 0.015 | 27.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 283 | ILE | 0 | -0.048 | -0.031 | 24.482 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 284 | GLY | 0 | 0.049 | 0.014 | 26.377 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 285 | THR | 0 | -0.115 | -0.078 | 27.627 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 286 | GLU | -1 | -0.810 | -0.872 | 30.154 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 287 | LEU | 0 | -0.021 | -0.011 | 25.947 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 288 | ASP | -1 | -0.709 | -0.824 | 30.090 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 289 | ILE | 0 | -0.022 | 0.001 | 27.231 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 290 | SER | 0 | -0.070 | -0.024 | 26.531 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 291 | HIS | 0 | -0.026 | -0.025 | 23.163 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 292 | LEU | 0 | 0.010 | 0.005 | 22.914 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 293 | GLY | 0 | 0.039 | 0.013 | 24.558 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 294 | PHE | 0 | -0.045 | -0.012 | 23.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 295 | ALA | 0 | 0.018 | 0.020 | 28.405 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 296 | ILE | 0 | -0.051 | -0.026 | 29.192 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 297 | TRP | 0 | -0.020 | -0.019 | 32.601 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 298 | ILE | 0 | -0.044 | -0.028 | 31.879 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 299 | ASN | 0 | 0.003 | -0.004 | 36.497 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 300 | ASN | 0 | -0.018 | -0.009 | 39.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 301 | GLU | -1 | -0.882 | -0.927 | 37.539 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 302 | LEU | 0 | -0.013 | -0.003 | 34.855 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 303 | PHE | 0 | -0.004 | -0.005 | 31.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 304 | PHE | 0 | -0.001 | 0.005 | 27.910 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 305 | ARG | 1 | 0.814 | 0.874 | 25.217 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 306 | GLN | 0 | 0.015 | -0.003 | 23.649 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 307 | ALA | 0 | 0.011 | 0.024 | 18.613 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 308 | SER | 0 | 0.007 | 0.010 | 20.753 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 309 | SER | 0 | 0.029 | -0.004 | 20.000 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 310 | GLN | 0 | -0.019 | -0.002 | 20.997 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 311 | TYR | 0 | 0.017 | -0.005 | 23.831 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 312 | GLY | 0 | 0.019 | 0.023 | 19.484 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 313 | LYS | 1 | 0.940 | 0.959 | 18.522 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 314 | VAL | 0 | -0.032 | -0.001 | 18.776 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 315 | VAL | 0 | -0.043 | -0.016 | 21.331 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 316 | ASP | -1 | -0.713 | -0.817 | 25.058 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 317 | VAL | 0 | -0.033 | -0.017 | 28.526 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 318 | SER | 0 | 0.104 | 0.068 | 30.994 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 319 | LEU | 0 | 0.001 | -0.012 | 32.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 320 | ILE | 0 | 0.039 | 0.016 | 34.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 321 | ASP | -1 | -0.851 | -0.942 | 35.865 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 322 | TYR | 0 | -0.070 | -0.037 | 27.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 323 | LEU | 0 | -0.007 | -0.025 | 33.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 324 | ASP | -1 | -0.875 | -0.924 | 35.813 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 325 | LYS | 1 | 0.941 | 0.969 | 34.080 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 326 | ALA | 0 | -0.025 | -0.009 | 33.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 327 | ARG | 1 | 0.824 | 0.901 | 35.004 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 328 | SER | 0 | -0.040 | -0.006 | 37.389 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 329 | SER | 0 | -0.026 | -0.003 | 33.828 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 330 | PRO | 0 | 0.035 | 0.020 | 35.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 331 | THR | 0 | -0.020 | -0.025 | 33.765 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 332 | ILE | 0 | -0.059 | -0.019 | 31.411 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 333 | LYS | 1 | 0.938 | 0.970 | 35.011 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 334 | GLY | 0 | 0.027 | 0.013 | 36.070 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 335 | ILE | 0 | -0.021 | 0.001 | 33.688 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 336 | ASN | 0 | -0.039 | -0.029 | 32.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 337 | ILE | 0 | 0.009 | 0.007 | 33.210 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 338 | GLN | 0 | 0.025 | 0.024 | 29.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 339 | VAL | 0 | -0.010 | -0.005 | 32.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 340 | VAL | 0 | 0.022 | -0.003 | 29.387 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 341 | LEU | 0 | -0.056 | -0.027 | 32.308 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 342 | PRO | 0 | -0.033 | -0.008 | 31.196 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 343 | GLU | -1 | -0.894 | -0.945 | 33.810 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 344 | LYS | 1 | 0.930 | 0.965 | 33.924 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 345 | PRO | 0 | -0.006 | 0.011 | 28.899 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 346 | VAL | 0 | -0.039 | -0.029 | 28.087 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 346 | SER | 0 | -0.031 | -0.050 | 26.585 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 347 | ASN | 0 | -0.015 | -0.005 | 26.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 348 | GLY | 0 | 0.086 | 0.041 | 27.823 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 350 | GLN | 0 | -0.007 | -0.008 | 27.005 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 351 | LEU | 0 | -0.009 | -0.013 | 28.592 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 352 | PHE | 0 | 0.008 | 0.024 | 28.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |