FMODB ID: LZRY9
Calculation Name: 3ESH-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3ESH
Chain ID: A
UniProt ID: A0A0H3
Base Structure: X-ray
Registration Date: 2023-06-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 277 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4208049.482884 |
---|---|
FMO2-HF: Nuclear repulsion | 4096460.798494 |
FMO2-HF: Total energy | -111588.684391 |
FMO2-MP2: Total energy | -111915.961704 |
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-19.664 | -10.68 | 14.841 | -7.276 | -16.548 | -0.054 |
Interaction energy analysis for fragmet #1(A:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | ILE | 0 | 0.005 | 0.007 | 2.394 | -1.551 | 0.885 | 1.800 | -1.388 | -2.848 | -0.004 |
4 | A | 4 | GLY | 0 | 0.008 | -0.017 | 5.235 | -0.299 | -0.236 | -0.001 | -0.004 | -0.057 | 0.000 |
5 | A | 5 | ASP | -1 | -0.955 | -0.978 | 8.667 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ILE | 0 | -0.058 | -0.024 | 6.674 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | SER | 0 | -0.041 | -0.002 | 3.960 | -0.076 | 0.066 | -0.001 | -0.033 | -0.108 | 0.000 |
8 | A | 8 | ILE | 0 | -0.009 | -0.013 | 2.300 | -0.571 | 0.829 | 0.934 | -0.650 | -1.684 | -0.001 |
9 | A | 9 | HIS | 0 | 0.019 | 0.004 | 2.100 | -12.226 | -10.420 | 4.997 | -3.192 | -3.611 | -0.037 |
10 | A | 10 | TYR | 0 | -0.022 | -0.011 | 4.416 | 0.689 | 0.805 | -0.001 | -0.020 | -0.094 | 0.000 |
11 | A | 11 | LEU | 0 | 0.014 | 0.006 | 7.511 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ASN | 0 | 0.051 | 0.029 | 11.015 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLY | 0 | 0.030 | 0.005 | 14.035 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.048 | 0.025 | 16.474 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ASN | 0 | -0.010 | -0.016 | 17.322 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | THR | 0 | -0.018 | -0.002 | 19.635 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LYS | 1 | 0.850 | 0.930 | 21.914 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | MET | 0 | 0.002 | 0.017 | 23.539 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ASP | -1 | -0.856 | -0.942 | 25.520 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | GLY | 0 | 0.062 | 0.000 | 25.496 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | GLY | 0 | -0.045 | -0.019 | 26.557 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ALA | 0 | 0.019 | 0.012 | 28.034 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | MET | 0 | 0.041 | 0.026 | 20.420 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | PHE | 0 | -0.024 | -0.007 | 21.091 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLY | 0 | 0.038 | 0.029 | 25.501 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | VAL | 0 | -0.022 | -0.014 | 28.561 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | VAL | 0 | -0.021 | 0.013 | 25.275 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | PRO | 0 | 0.041 | 0.013 | 28.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | LYS | 1 | 1.004 | 0.979 | 29.315 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | PRO | 0 | -0.061 | -0.023 | 29.026 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LEU | 0 | -0.017 | -0.008 | 27.203 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | TRP | 0 | 0.080 | 0.070 | 24.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | SER | 0 | -0.080 | -0.052 | 24.268 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LYS | 1 | 0.888 | 0.943 | 25.368 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLN | 0 | -0.029 | -0.008 | 20.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | TYR | 0 | 0.052 | 0.024 | 16.644 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ASN | 0 | 0.007 | 0.015 | 21.279 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ALA | 0 | 0.014 | 0.002 | 23.342 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | ASN | 0 | 0.000 | 0.008 | 26.146 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | GLU | -1 | -0.934 | -0.989 | 28.676 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ARG | 1 | 0.863 | 0.938 | 31.027 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | ASN | 0 | -0.021 | -0.014 | 29.878 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLN | 0 | 0.028 | 0.020 | 26.890 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ILE | 0 | 0.014 | 0.010 | 20.835 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASN | 0 | -0.020 | -0.015 | 18.875 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | LEU | 0 | -0.002 | -0.003 | 18.071 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PRO | 0 | 0.019 | 0.020 | 14.371 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | THR | 0 | -0.009 | -0.014 | 16.087 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | HIS | 0 | -0.040 | -0.009 | 11.081 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | PRO | 0 | -0.036 | -0.001 | 11.427 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ILE | 0 | 0.021 | 0.006 | 6.800 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | LEU | 0 | -0.003 | 0.005 | 7.493 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ILE | 0 | -0.001 | -0.015 | 6.791 | -0.780 | -0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLN | 0 | -0.030 | -0.016 | 7.665 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | THR | 0 | -0.002 | 0.001 | 9.055 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ALA | 0 | 0.016 | -0.011 | 11.760 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLN | 0 | -0.073 | -0.039 | 14.090 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | TYR | 0 | 0.032 | 0.027 | 15.190 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ASN | 0 | 0.040 | 0.032 | 12.226 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LEU | 0 | -0.008 | -0.018 | 11.877 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ILE | 0 | -0.018 | 0.008 | 11.494 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ILE | 0 | -0.049 | -0.026 | 10.680 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASP | -1 | -0.742 | -0.862 | 13.497 | -0.743 | -0.743 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ALA | 0 | 0.026 | -0.016 | 15.577 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLY | 0 | 0.011 | 0.024 | 17.186 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ILE | 0 | -0.059 | -0.026 | 18.105 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLY | 0 | 0.016 | 0.004 | 20.687 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ASN | 0 | -0.057 | -0.048 | 21.918 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLY | 0 | 0.015 | 0.011 | 24.932 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | LYS | 1 | 0.789 | 0.905 | 25.678 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | LEU | 0 | -0.004 | -0.006 | 25.499 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | SER | 0 | 0.002 | 0.001 | 28.977 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | GLU | -1 | -0.772 | -0.906 | 31.272 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | LYS | 1 | 0.833 | 0.919 | 33.069 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLN | 0 | 0.033 | 0.020 | 29.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | LEU | 0 | 0.103 | 0.066 | 26.932 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ARG | 1 | 0.948 | 0.973 | 28.696 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | ASN | 0 | -0.119 | -0.076 | 30.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | PHE | 0 | 0.035 | 0.015 | 26.173 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLY | 0 | -0.004 | 0.011 | 25.733 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | VAL | 0 | 0.010 | 0.014 | 23.218 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ASP | -1 | -0.917 | -0.945 | 22.640 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLU | -1 | -0.909 | -0.958 | 18.903 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | GLU | -1 | -0.889 | -0.950 | 21.863 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | SER | 0 | -0.035 | -0.012 | 18.653 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | HIS | 0 | 0.012 | 0.016 | 16.794 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ILE | 0 | 0.019 | 0.007 | 14.559 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ILE | 0 | 0.006 | -0.001 | 15.344 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | ALA | 0 | -0.007 | -0.016 | 16.483 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ASP | -1 | -0.807 | -0.919 | 11.893 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | LEU | 0 | -0.012 | -0.012 | 11.716 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ALA | 0 | 0.037 | 0.033 | 12.861 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ASN | 0 | -0.088 | -0.028 | 11.165 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | TYR | 0 | -0.005 | -0.004 | 5.939 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASN | 0 | -0.134 | -0.075 | 10.885 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | -0.002 | 0.014 | 10.878 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | 0.010 | 0.000 | 14.936 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | PRO | 0 | 0.013 | 0.022 | 17.684 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | LYS | 1 | 0.852 | 0.909 | 18.596 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASP | -1 | -0.789 | -0.901 | 16.484 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | -0.051 | -0.015 | 13.981 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.798 | -0.905 | 16.465 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | TYR | 0 | -0.039 | -0.020 | 16.555 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | VAL | 0 | 0.023 | 0.021 | 16.182 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | -0.053 | -0.048 | 13.977 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | MET | 0 | 0.041 | 0.035 | 16.502 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | THR | 0 | -0.043 | 0.010 | 15.493 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | HIS | 1 | 0.801 | 0.860 | 18.350 | 0.637 | 0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | MET | 0 | 0.020 | 0.025 | 21.426 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | HIS | 0 | 0.026 | 0.028 | 23.098 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | PHE | 0 | 0.042 | -0.002 | 23.231 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ASP | -1 | -0.852 | -0.932 | 20.649 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | HIS | 1 | 0.766 | 0.883 | 17.233 | 0.626 | 0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ALA | 0 | 0.066 | 0.026 | 19.537 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ALA | 0 | -0.021 | 0.008 | 22.264 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | GLY | 0 | -0.014 | -0.009 | 20.856 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | LEU | 0 | 0.000 | -0.001 | 20.579 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | THR | 0 | -0.027 | 0.011 | 22.809 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ASP | -1 | -0.821 | -0.899 | 25.800 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | GLN | 0 | -0.010 | -0.039 | 27.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ALA | 0 | -0.041 | -0.018 | 30.959 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLY | 0 | -0.034 | -0.028 | 30.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | HIS | 0 | 0.039 | 0.042 | 28.155 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ALA | 0 | -0.043 | -0.040 | 25.728 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ILE | 0 | -0.028 | 0.030 | 20.472 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | PHE | 0 | -0.001 | -0.025 | 16.507 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLU | -1 | -0.862 | -0.933 | 21.313 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ASN | 0 | -0.090 | -0.056 | 22.153 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ALA | 0 | -0.002 | 0.022 | 19.569 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ILE | 0 | -0.011 | -0.001 | 21.236 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | HIS | 0 | -0.067 | -0.036 | 20.833 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | VAL | 0 | -0.002 | 0.003 | 19.921 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | VAL | 0 | 0.004 | -0.004 | 21.037 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLN | 0 | 0.016 | 0.055 | 23.327 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | 0.009 | -0.032 | 24.597 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ASP | -1 | -0.864 | -0.949 | 28.365 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | GLU | -1 | -0.774 | -0.840 | 24.034 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | TRP | 0 | 0.026 | 0.005 | 27.179 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | HIS | 0 | 0.015 | -0.003 | 28.718 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | GLU | -1 | -0.853 | -0.915 | 30.260 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | PHE | 0 | -0.057 | -0.025 | 28.185 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ILE | 0 | -0.039 | -0.029 | 30.258 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ALA | 0 | -0.069 | -0.022 | 33.340 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | PRO | 0 | 0.011 | 0.037 | 32.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ASN | 0 | 0.069 | 0.048 | 33.844 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ILE | 0 | -0.061 | -0.074 | 36.253 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ARG | 1 | 0.823 | 0.922 | 30.092 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | SER | 0 | 0.004 | -0.015 | 30.925 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | LYS | 1 | 0.988 | 1.004 | 31.527 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | SER | 0 | -0.087 | -0.052 | 32.180 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | THR | 0 | -0.001 | 0.016 | 26.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | TYR | 0 | -0.021 | -0.023 | 26.547 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | TRP | 0 | -0.059 | -0.053 | 27.889 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ASP | -1 | -0.834 | -0.934 | 30.586 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | LYS | 1 | 0.800 | 0.892 | 30.341 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ASN | 0 | 0.017 | 0.009 | 26.627 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LYS | 1 | 0.908 | 0.992 | 27.818 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLY | 0 | 0.045 | 0.005 | 29.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ASP | -1 | -0.846 | -0.899 | 28.786 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | TYR | 0 | 0.041 | -0.010 | 24.858 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | SER | 0 | -0.133 | -0.067 | 26.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ASN | 0 | -0.047 | -0.028 | 29.104 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | LYS | 1 | 0.842 | 0.921 | 25.446 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | LEU | 0 | 0.014 | 0.016 | 25.422 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | ILE | 0 | -0.016 | -0.002 | 24.361 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | LEU | 0 | -0.012 | -0.010 | 25.058 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | PHE | 0 | -0.019 | -0.005 | 21.025 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | GLU | -1 | -0.904 | -0.947 | 25.700 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | LYS | 1 | 1.003 | 0.996 | 24.094 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | HIS | 0 | 0.001 | -0.016 | 21.073 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | PHE | 0 | 0.012 | -0.007 | 20.220 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLU | -1 | -0.872 | -0.938 | 17.123 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | PRO | 0 | -0.061 | -0.013 | 16.837 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | 0.038 | 0.031 | 14.652 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | PRO | 0 | 0.003 | -0.017 | 16.208 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLY | 0 | 0.032 | 0.026 | 13.050 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ILE | 0 | -0.025 | 0.002 | 11.100 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | LYS | 1 | 0.936 | 0.969 | 13.469 | 0.554 | 0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | MET | 0 | 0.002 | 0.012 | 15.000 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | GLN | 0 | -0.046 | -0.045 | 17.240 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | HIS | 0 | -0.088 | -0.050 | 19.289 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | SER | 0 | -0.010 | -0.009 | 19.752 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | 0.006 | 0.017 | 21.884 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | GLY | 0 | 0.028 | -0.007 | 23.176 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | HIS | 1 | 0.816 | 0.917 | 22.204 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | SER | 0 | 0.010 | -0.036 | 24.203 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | PHE | 0 | 0.022 | 0.025 | 25.614 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | GLY | 0 | 0.056 | 0.023 | 25.671 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | HIS | 0 | -0.001 | -0.010 | 17.822 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | THR | 0 | -0.010 | 0.011 | 17.736 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ILE | 0 | -0.063 | -0.014 | 14.850 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ILE | 0 | 0.032 | 0.003 | 11.720 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | THR | 0 | -0.061 | -0.024 | 10.481 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ILE | 0 | 0.036 | 0.006 | 6.479 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLU | -1 | -0.933 | -0.973 | 8.390 | -0.685 | -0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | SER | 0 | 0.030 | 0.032 | 9.010 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLN | 0 | -0.014 | -0.014 | 9.379 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLY | 0 | -0.023 | -0.017 | 10.700 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ASP | -1 | -0.865 | -0.904 | 5.298 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.898 | 0.943 | 6.500 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ALA | 0 | 0.010 | 0.011 | 4.262 | -0.524 | -0.422 | -0.001 | -0.011 | -0.090 | 0.000 |
202 | A | 202 | VAL | 0 | -0.023 | -0.012 | 6.287 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | HIS | 0 | -0.007 | 0.014 | 8.664 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | MET | 0 | -0.007 | -0.016 | 10.616 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLY | 0 | 0.092 | 0.044 | 13.687 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ASP | -1 | -0.849 | -0.943 | 15.644 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ILE | 0 | -0.043 | -0.008 | 17.055 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | PHE | 0 | -0.088 | -0.066 | 12.621 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PRO | 0 | -0.006 | 0.010 | 14.376 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | THR | 0 | 0.000 | -0.005 | 14.211 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | THR | 0 | 0.008 | -0.013 | 11.602 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ALA | 0 | 0.000 | 0.009 | 14.227 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | HIS | 0 | -0.063 | -0.038 | 17.062 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | LYS | 1 | 0.931 | 0.995 | 15.101 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASN | 0 | -0.012 | 0.010 | 17.162 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | PRO | 0 | 0.095 | 0.028 | 20.716 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LEU | 0 | 0.006 | -0.020 | 21.893 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | TRP | 0 | -0.063 | -0.027 | 21.805 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | VAL | 0 | -0.036 | -0.010 | 21.895 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | THR | 0 | -0.014 | -0.019 | 22.202 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ALA | 0 | -0.021 | -0.036 | 24.824 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | TYR | 0 | -0.022 | -0.028 | 24.748 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ASP | -1 | -0.799 | -0.839 | 23.868 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ASP | -1 | -0.833 | -0.903 | 26.689 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | TYR | 0 | -0.045 | -0.024 | 28.154 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | PRO | 0 | 0.066 | 0.026 | 26.893 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | MET | 0 | -0.015 | -0.018 | 26.994 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | GLN | 0 | -0.022 | -0.005 | 24.888 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | SER | 0 | -0.003 | -0.045 | 23.111 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ILE | 0 | -0.019 | 0.003 | 22.534 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ARG | 1 | 0.957 | 0.998 | 23.608 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLU | -1 | -0.862 | -0.953 | 20.558 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | LYS | 1 | 0.841 | 0.932 | 18.518 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | GLU | -1 | -0.986 | -0.998 | 19.394 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | ARG | 1 | 0.891 | 0.955 | 20.704 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | MET | 0 | -0.083 | -0.025 | 16.277 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ILE | 0 | 0.036 | 0.020 | 14.612 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | PRO | 0 | 0.028 | 0.011 | 15.041 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | TYR | 0 | 0.002 | 0.017 | 15.274 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | PHE | 0 | 0.033 | -0.009 | 11.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | ILE | 0 | -0.004 | 0.007 | 11.516 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | GLN | 0 | 0.027 | 0.044 | 12.980 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLN | 0 | -0.105 | -0.070 | 12.479 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | GLN | 0 | -0.002 | -0.002 | 9.335 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | TYR | 0 | 0.011 | -0.002 | 7.566 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | TRP | 0 | -0.052 | -0.022 | 2.849 | -3.206 | -1.003 | 2.402 | -0.854 | -3.752 | -0.009 |
247 | A | 247 | PHE | 0 | -0.024 | -0.033 | 5.157 | -0.023 | 0.010 | -0.001 | -0.001 | -0.030 | 0.000 |
248 | A | 248 | LEU | 0 | 0.025 | 0.010 | 3.596 | -0.516 | -0.237 | 0.006 | -0.043 | -0.243 | 0.000 |
249 | A | 249 | PHE | 0 | -0.031 | -0.018 | 7.219 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | TYR | 0 | -0.006 | -0.023 | 9.619 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | HIS | 0 | 0.011 | -0.012 | 12.367 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | ASP | -1 | -0.798 | -0.889 | 11.668 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLU | -1 | -0.907 | -0.970 | 12.583 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ASN | 0 | -0.017 | 0.015 | 13.396 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | TYR | 0 | -0.007 | -0.002 | 9.003 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | PHE | 0 | 0.019 | 0.021 | 2.356 | -1.089 | -0.252 | 0.860 | -0.384 | -1.313 | 0.000 |
257 | A | 257 | ALA | 0 | -0.011 | -0.025 | 3.880 | -0.725 | -0.484 | 0.005 | -0.052 | -0.194 | 0.000 |
258 | A | 258 | VAL | 0 | -0.053 | -0.001 | 5.774 | 0.613 | 0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LYS | 1 | 0.877 | 0.948 | 5.461 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | TYR | 0 | -0.048 | -0.041 | 7.645 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | SER | 0 | 0.013 | 0.008 | 11.431 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ASP | -1 | -0.988 | -1.008 | 13.594 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ASP | -1 | -0.892 | -0.913 | 15.674 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | GLY | 0 | 0.014 | -0.007 | 16.534 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLU | -1 | -1.007 | -1.013 | 17.490 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ASN | 0 | -0.014 | -0.017 | 16.532 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ILE | 0 | 0.025 | 0.068 | 9.683 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ASP | -1 | -0.900 | -0.948 | 12.008 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ALA | 0 | -0.010 | -0.012 | 7.207 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | TYR | 0 | 0.041 | -0.027 | 7.890 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ILE | 0 | -0.050 | -0.020 | 2.234 | 0.001 | -0.673 | 3.842 | -0.644 | -2.524 | -0.003 |
272 | A | 272 | LEU | 0 | 0.025 | -0.005 | 6.296 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.860 | 0.943 | 7.605 | 1.104 | 1.104 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.891 | -0.955 | 9.141 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | THR | 0 | -0.050 | -0.017 | 10.944 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | LEU | 0 | -0.029 | -0.016 | 12.760 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | VAL | 0 | 0.016 | 0.017 | 15.567 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |