![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: Q1R4Y
Calculation Name: 1J5W-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1J5W
Chain ID: A
UniProt ID: Q9WY59
Base Structure: X-ray
Registration Date: 2023-06-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 281 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4278207.561072 |
---|---|
FMO2-HF: Nuclear repulsion | 4163022.624861 |
FMO2-HF: Total energy | -115184.936211 |
FMO2-MP2: Total energy | -115524.039033 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F022594/ligand_interaction/ligand_F022594.png)
Ligand Interaction
![ligand interaction](./Kdata/F022594/ligand_interaction/ligand_interaction_F022594.png)
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. |
-37.744 | -33.858 | 20.068 | -9.9 | -14.056 | 0.047 |
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 | LEU | 0 | 0.028 | 0.012 | 2.911 | -1.642 | 0.333 | 0.176 | -1.094 | -1.056 | -0.003 |
4 | A | 4 | GLN | 0 | -0.021 | -0.019 | 5.356 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | ASP | -1 | -0.847 | -0.925 | 2.650 | 13.036 | 13.412 | 2.703 | -1.289 | -1.791 | 0.013 |
6 | A | 6 | VAL | 0 | -0.009 | 0.004 | 2.205 | -1.239 | -0.013 | 1.321 | -0.817 | -1.730 | -0.004 |
7 | A | 7 | ILE | 0 | 0.002 | 0.002 | 3.608 | -0.053 | 0.118 | 0.011 | -0.037 | -0.146 | 0.000 |
8 | A | 8 | MET | 0 | -0.061 | -0.019 | 6.517 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | LYS | 1 | 0.890 | 0.935 | 2.331 | -34.922 | -38.852 | 13.806 | -4.707 | -5.169 | 0.059 |
10 | A | 10 | LEU | 0 | 0.038 | 0.020 | 7.129 | -0.734 | -0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ASN | 0 | 0.006 | 0.015 | 9.149 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ASP | -1 | -0.887 | -0.947 | 9.561 | 2.547 | 2.547 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PHE | 0 | -0.006 | 0.011 | 10.036 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | TRP | 0 | 0.060 | 0.013 | 12.003 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | -0.004 | 0.008 | 14.756 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | SER | 0 | -0.082 | -0.050 | 14.325 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LYS | 1 | 0.792 | 0.893 | 14.455 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | -0.028 | -0.013 | 18.180 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | CYS | 0 | -0.091 | -0.040 | 17.953 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | -0.010 | -0.009 | 19.308 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | LEU | 0 | 0.007 | 0.005 | 14.873 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.866 | -0.932 | 18.184 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLN | 0 | -0.079 | -0.048 | 16.891 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | PRO | 0 | -0.022 | -0.015 | 16.512 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | TYR | 0 | -0.058 | -0.050 | 19.300 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ASP | -1 | -0.912 | -0.948 | 22.558 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | MET | 0 | -0.062 | -0.017 | 24.420 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLU | -1 | -0.880 | -0.949 | 24.495 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | VAL | 0 | 0.007 | 0.006 | 22.362 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | GLY | 0 | 0.015 | 0.008 | 23.320 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ALA | 0 | 0.021 | -0.004 | 20.787 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | 0.062 | 0.023 | 19.367 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | THR | 0 | -0.040 | -0.041 | 20.280 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | PHE | 0 | -0.038 | -0.034 | 23.475 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | HIS | 0 | 0.086 | 0.085 | 21.072 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | PRO | 0 | 0.000 | -0.004 | 24.459 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ALA | 0 | 0.014 | 0.003 | 23.105 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | THR | 0 | -0.004 | 0.013 | 22.348 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PHE | 0 | -0.008 | 0.010 | 24.757 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PHE | 0 | 0.019 | -0.013 | 28.307 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | GLY | 0 | -0.012 | 0.003 | 27.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | SER | 0 | -0.013 | -0.028 | 26.872 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LEU | 0 | -0.036 | -0.015 | 28.851 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ARG | 1 | 0.909 | 0.988 | 28.600 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | LYS | 1 | 0.918 | 0.959 | 32.687 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLY | 0 | 0.016 | 0.012 | 33.771 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PRO | 0 | -0.001 | -0.006 | 28.714 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | TRP | 0 | -0.029 | -0.026 | 24.986 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | LYS | 1 | 0.875 | 0.935 | 22.080 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | VAL | 0 | -0.029 | 0.004 | 20.542 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.036 | 0.012 | 15.252 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | TYR | 0 | 0.019 | 0.008 | 15.177 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | VAL | 0 | 0.030 | 0.017 | 11.480 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLN | 0 | 0.014 | -0.005 | 14.583 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | PRO | 0 | -0.022 | -0.007 | 16.468 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | -0.032 | -0.002 | 17.765 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ARG | 1 | 0.836 | 0.934 | 20.103 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ARG | 1 | 0.843 | 0.894 | 20.783 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | PRO | 0 | 0.005 | 0.001 | 24.396 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | THR | 0 | -0.042 | -0.040 | 27.139 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ASP | -1 | -0.804 | -0.872 | 22.051 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | GLY | 0 | -0.020 | -0.022 | 24.934 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ARG | 1 | 0.897 | 0.922 | 25.769 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | TYR | 0 | -0.007 | 0.008 | 23.465 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLY | 0 | 0.013 | -0.001 | 28.194 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | GLU | -1 | -0.875 | -0.895 | 26.948 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ASN | 0 | 0.035 | 0.004 | 20.356 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | PRO | 0 | -0.013 | -0.006 | 20.255 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ASN | 0 | 0.014 | 0.000 | 16.792 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ARG | 1 | 0.783 | 0.910 | 18.220 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | LEU | 0 | 0.017 | -0.004 | 15.488 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLN | 0 | -0.058 | -0.035 | 20.077 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ARG | 1 | 0.870 | 0.933 | 16.575 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | TYR | 0 | 0.009 | 0.026 | 14.590 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | PHE | 0 | -0.002 | -0.018 | 11.816 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | GLN | 0 | 0.075 | 0.043 | 12.699 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | TYR | 0 | -0.001 | -0.028 | 10.412 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLN | 0 | -0.045 | -0.041 | 13.132 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | VAL | 0 | 0.020 | 0.003 | 15.244 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ILE | 0 | -0.016 | 0.003 | 17.949 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ILE | 0 | -0.018 | -0.007 | 19.688 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | LYS | 1 | 0.792 | 0.920 | 23.495 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | PRO | 0 | -0.022 | -0.040 | 27.343 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | SER | 0 | 0.029 | -0.010 | 25.755 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PRO | 0 | -0.064 | -0.016 | 22.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | GLU | -1 | -0.931 | -0.978 | 24.707 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ASN | 0 | -0.055 | -0.046 | 22.098 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | SER | 0 | 0.032 | 0.022 | 20.592 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLN | 0 | -0.005 | 0.004 | 18.989 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLU | -1 | -0.804 | -0.898 | 17.172 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | LEU | 0 | -0.010 | 0.000 | 15.627 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | TYR | 0 | 0.021 | -0.003 | 13.646 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | LEU | 0 | 0.012 | 0.021 | 12.794 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLU | -1 | -0.808 | -0.883 | 11.338 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | SER | 0 | -0.063 | -0.035 | 9.909 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | 0.021 | 0.006 | 8.316 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | GLU | -1 | -0.789 | -0.901 | 6.778 | -1.474 | -1.474 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | TYR | 0 | -0.072 | -0.033 | 6.045 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | LEU | 0 | -0.048 | -0.022 | 3.598 | 0.518 | 1.051 | 0.009 | -0.088 | -0.454 | 0.000 |
100 | A | 100 | GLY | 0 | -0.021 | -0.009 | 2.543 | -6.072 | -4.873 | 1.574 | -1.121 | -1.653 | -0.014 |
101 | A | 101 | ILE | 0 | -0.046 | -0.026 | 3.950 | 0.357 | 0.440 | 0.003 | 0.032 | -0.118 | 0.000 |
102 | A | 102 | ASN | 0 | -0.022 | -0.024 | 6.728 | 0.679 | 0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | 0.016 | -0.008 | 9.492 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LYS | 1 | 0.719 | 0.874 | 11.221 | 1.051 | 1.051 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | GLU | -1 | -0.899 | -0.947 | 10.183 | -1.329 | -1.329 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | HIS | 0 | 0.044 | 0.051 | 6.671 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ASP | -1 | -0.901 | -0.941 | 12.074 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | 0.025 | 0.007 | 11.166 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ARG | 1 | 0.874 | 0.960 | 15.176 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | PHE | 0 | 0.031 | 0.017 | 17.730 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | VAL | 0 | -0.044 | -0.028 | 20.510 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | GLU | -1 | -0.989 | -0.987 | 23.637 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ASP | -1 | -0.786 | -0.896 | 25.433 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ASN | 0 | -0.142 | -0.082 | 27.466 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | TRP | 0 | 0.074 | 0.055 | 23.950 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | GLU | -1 | -0.922 | -0.981 | 27.681 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | SER | 0 | -0.004 | 0.004 | 27.248 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | PRO | 0 | 0.065 | 0.026 | 29.253 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | THR | 0 | -0.023 | -0.020 | 30.605 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | LEU | 0 | 0.039 | 0.025 | 27.280 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLY | 0 | -0.032 | -0.025 | 31.761 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | ALA | 0 | -0.026 | -0.008 | 29.615 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | TRP | 0 | 0.025 | 0.013 | 30.131 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | GLY | 0 | -0.032 | -0.025 | 28.863 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | VAL | 0 | 0.010 | 0.022 | 28.967 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | GLY | 0 | 0.007 | 0.000 | 25.253 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TRP | 0 | -0.012 | 0.001 | 21.713 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | GLU | -1 | -0.798 | -0.871 | 20.861 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | VAL | 0 | -0.054 | -0.047 | 15.881 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | TRP | 0 | -0.075 | -0.065 | 16.472 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LEU | 0 | -0.009 | -0.010 | 8.926 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASP | -1 | -0.885 | -0.942 | 13.043 | -1.281 | -1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLY | 0 | -0.033 | -0.007 | 14.846 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | MET | 0 | -0.048 | -0.027 | 12.639 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLU | -1 | -0.839 | -0.888 | 15.629 | -0.581 | -0.581 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ILE | 0 | 0.013 | 0.004 | 11.467 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | THR | 0 | -0.018 | -0.012 | 13.647 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLN | 0 | -0.032 | 0.017 | 16.008 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | PHE | 0 | 0.020 | -0.005 | 18.338 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | THR | 0 | -0.003 | -0.005 | 20.774 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | TYR | 0 | 0.010 | 0.014 | 24.227 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | PHE | 0 | -0.020 | -0.024 | 24.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLN | 0 | 0.016 | -0.001 | 28.704 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | GLN | 0 | -0.078 | -0.042 | 31.738 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | 0.028 | 0.014 | 29.121 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | GLY | 0 | 0.073 | 0.038 | 32.117 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | GLY | 0 | -0.071 | -0.047 | 34.485 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ILE | 0 | -0.056 | -0.023 | 35.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | SER | 0 | 0.037 | 0.018 | 35.123 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | -0.034 | -0.007 | 32.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | LYS | 1 | 0.928 | 0.951 | 34.949 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASP | -1 | -0.878 | -0.917 | 31.899 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ILE | 0 | 0.056 | 0.028 | 28.982 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | PRO | 0 | -0.021 | 0.004 | 26.825 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | LEU | 0 | 0.006 | 0.010 | 21.484 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLU | -1 | -0.779 | -0.864 | 20.494 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ILE | 0 | -0.020 | -0.011 | 15.996 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | THR | 0 | -0.043 | -0.013 | 15.863 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | TYR | 0 | 0.053 | -0.001 | 11.027 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLY | 0 | 0.022 | 0.015 | 12.741 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.028 | -0.013 | 7.558 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLU | -1 | -0.742 | -0.847 | 8.064 | -0.805 | -0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ARG | 1 | 0.824 | 0.888 | 9.548 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ILE | 0 | 0.032 | 0.021 | 5.866 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | ALA | 0 | -0.003 | -0.003 | 4.769 | -0.812 | -0.754 | -0.001 | -0.005 | -0.051 | 0.000 |
166 | A | 166 | MET | 0 | -0.061 | -0.027 | 5.844 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | TYR | 0 | -0.018 | -0.022 | 7.718 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | LEU | 0 | -0.036 | -0.025 | 2.671 | -1.830 | -0.193 | 0.467 | -0.575 | -1.530 | -0.004 |
169 | A | 169 | GLN | 0 | -0.082 | -0.044 | 4.252 | -0.101 | 0.457 | -0.001 | -0.199 | -0.358 | 0.000 |
170 | A | 170 | GLY | 0 | -0.001 | 0.014 | 6.459 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | VAL | 0 | -0.059 | -0.017 | 9.259 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | ASP | -1 | -0.868 | -0.937 | 11.621 | -0.834 | -0.834 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASN | 0 | -0.040 | -0.035 | 14.718 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | 0.058 | 0.007 | 12.693 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | TYR | 0 | -0.029 | -0.031 | 12.928 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLU | -1 | -0.814 | -0.895 | 12.840 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | VAL | 0 | -0.030 | 0.012 | 7.578 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | GLN | 0 | 0.011 | 0.001 | 6.903 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | TRP | 0 | 0.025 | -0.004 | 6.976 | -0.482 | -0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ASN | 0 | 0.015 | -0.026 | 7.633 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLU | -1 | -0.864 | -0.898 | 9.027 | 0.997 | 0.997 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ASN | 0 | -0.087 | -0.046 | 10.059 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | VAL | 0 | 0.001 | 0.026 | 12.242 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LYS | 1 | 0.799 | 0.889 | 11.431 | 0.633 | 0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | TYR | 0 | -0.043 | -0.064 | 11.741 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | GLY | 0 | 0.006 | -0.011 | 13.716 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ASP | -1 | -0.844 | -0.914 | 16.042 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | VAL | 0 | -0.054 | -0.009 | 15.137 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | PHE | 0 | -0.031 | -0.034 | 14.732 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LEU | 0 | 0.005 | 0.018 | 18.910 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLU | -1 | -0.819 | -0.904 | 20.830 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ASN | 0 | -0.026 | -0.004 | 21.029 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLU | -1 | -0.735 | -0.864 | 19.867 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ARG | 1 | 0.847 | 0.933 | 22.970 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLU | -1 | -0.897 | -0.952 | 26.115 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | PHE | 0 | 0.003 | -0.021 | 24.568 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | SER | 0 | -0.050 | -0.024 | 25.845 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | VAL | 0 | 0.041 | 0.034 | 28.107 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | PHE | 0 | -0.031 | -0.011 | 29.825 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ASN | 0 | 0.007 | -0.029 | 26.441 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PHE | 0 | -0.027 | -0.016 | 27.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | GLU | -1 | -0.933 | -0.969 | 33.081 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | GLU | -1 | -0.904 | -0.963 | 34.637 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ALA | 0 | -0.050 | 0.006 | 33.532 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASN | 0 | 0.016 | -0.007 | 35.605 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | VAL | 0 | 0.095 | 0.039 | 38.581 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | GLY | 0 | 0.003 | 0.008 | 39.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LEU | 0 | -0.060 | -0.030 | 38.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | LEU | 0 | 0.027 | 0.012 | 34.918 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | PHE | 0 | -0.009 | -0.020 | 38.773 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ARG | 1 | 0.820 | 0.903 | 41.579 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | HIS | 0 | 0.000 | -0.024 | 37.522 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | PHE | 0 | 0.021 | 0.022 | 36.368 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASP | -1 | -0.784 | -0.887 | 39.468 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | GLU | -1 | -0.873 | -0.904 | 41.889 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | TYR | 0 | 0.023 | -0.002 | 35.632 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | GLU | -1 | -0.754 | -0.861 | 39.761 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | LYS | 1 | 0.913 | 0.955 | 41.110 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | GLU | -1 | -0.817 | -0.853 | 40.731 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | PHE | 0 | 0.032 | 0.014 | 37.800 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | TYR | 0 | 0.019 | 0.002 | 40.387 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ARG | 1 | 0.794 | 0.867 | 43.689 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | LEU | 0 | -0.011 | -0.007 | 39.655 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | VAL | 0 | 0.011 | 0.007 | 39.665 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLU | -1 | -0.843 | -0.918 | 41.916 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | LYS | 1 | 0.839 | 0.926 | 44.522 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASN | 0 | 0.024 | 0.008 | 42.433 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | -0.017 | 0.009 | 40.045 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | TYR | 0 | 0.030 | -0.008 | 34.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LEU | 0 | 0.024 | 0.029 | 31.728 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | PRO | 0 | 0.030 | 0.001 | 34.129 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ALA | 0 | -0.013 | -0.002 | 36.211 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | TYR | 0 | -0.015 | -0.044 | 28.014 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ASP | -1 | -0.766 | -0.862 | 30.730 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | TYR | 0 | -0.050 | -0.051 | 32.550 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ILE | 0 | -0.016 | 0.003 | 33.234 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | LEU | 0 | -0.027 | 0.007 | 27.638 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.914 | 0.948 | 30.368 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | CYS | 0 | -0.058 | -0.004 | 32.706 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | SER | 0 | -0.029 | -0.014 | 29.739 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | HIS | 0 | 0.034 | 0.012 | 27.906 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | THR | 0 | -0.015 | -0.023 | 30.447 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | PHE | 0 | -0.028 | -0.021 | 32.618 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | ASN | 0 | 0.009 | -0.003 | 28.468 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | LEU | 0 | 0.011 | 0.016 | 30.065 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | LEU | 0 | -0.021 | -0.010 | 32.548 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ASP | -1 | -0.840 | -0.903 | 32.485 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ALA | 0 | -0.008 | 0.009 | 30.482 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ARG | 1 | 0.802 | 0.903 | 32.447 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | GLY | 0 | -0.089 | -0.020 | 35.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | -0.020 | -0.007 | 37.699 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | ILE | 0 | -0.044 | -0.022 | 36.632 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | SER | 0 | 0.033 | -0.005 | 40.494 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | VAL | 0 | 0.062 | 0.012 | 41.040 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | 0.032 | 0.015 | 41.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLN | 0 | 0.057 | 0.064 | 42.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ARG | 1 | 0.936 | 0.964 | 32.566 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLN | 0 | 0.040 | 0.009 | 38.529 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | THR | 0 | -0.056 | -0.024 | 40.522 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | TYR | 0 | 0.021 | -0.001 | 37.648 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | VAL | 0 | 0.027 | 0.020 | 34.686 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LYS | 1 | 0.875 | 0.931 | 36.888 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ARG | 1 | 0.708 | 0.820 | 39.697 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | 0.029 | 0.011 | 33.081 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLN | 0 | 0.036 | 0.035 | 35.816 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | -0.084 | -0.043 | 36.760 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | MET | 0 | -0.015 | 0.000 | 37.191 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ALA | 0 | 0.051 | 0.033 | 33.869 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ARG | 1 | 0.881 | 0.925 | 35.643 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | LYS | 1 | 0.769 | 0.902 | 38.208 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | 0.030 | 0.001 | 35.740 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ALA | 0 | 0.013 | 0.016 | 34.967 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.908 | 0.963 | 36.303 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | VAL | 0 | 0.028 | 0.016 | 39.901 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | PHE | 0 | 0.012 | 0.009 | 33.358 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | LEU | 0 | -0.032 | -0.020 | 36.755 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLU | -1 | -0.921 | -0.975 | 39.293 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | VAL | 0 | -0.025 | -0.021 | 39.758 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | GLN | 0 | -0.027 | -0.001 | 35.432 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ALA | 0 | -0.081 | -0.052 | 39.412 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASN | 0 | -0.024 | 0.015 | 42.471 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |