FMODB ID: 2KZ9R
Calculation Name: 1SR8-A-Xray315
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1SR8
Chain ID: A
UniProt ID: O29535
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 283 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -3801971.473614 |
---|---|
FMO2-HF: Nuclear repulsion | 3694342.141725 |
FMO2-HF: Total energy | -107629.331889 |
FMO2-MP2: Total energy | -107950.327436 |
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. |
-8.276 | -11.211 | 18.879 | -5.068 | -10.877 | 0.008 |
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 | 0.018 | -0.005 | 2.017 | 3.037 | -0.278 | 11.133 | -2.968 | -4.851 | -0.001 |
4 | A | 4 | ASP | -1 | -0.787 | -0.871 | 5.180 | -0.682 | -0.613 | 0.000 | -0.008 | -0.061 | 0.000 |
5 | A | 5 | PRO | 0 | -0.009 | -0.005 | 8.985 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ILE | 0 | -0.011 | 0.002 | 10.627 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | GLU | -1 | -0.822 | -0.935 | 12.507 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | LEU | 0 | -0.059 | -0.040 | 8.664 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | TYR | 0 | 0.016 | 0.042 | 7.445 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | ARG | 1 | 0.994 | 0.990 | 2.570 | -11.518 | -11.583 | 7.746 | -2.069 | -5.612 | 0.009 |
11 | A | 11 | TYR | 0 | -0.009 | 0.003 | 4.600 | -0.725 | -0.594 | 0.000 | -0.015 | -0.116 | 0.000 |
12 | A | 12 | PRO | 0 | 0.017 | 0.012 | 4.914 | 0.412 | 0.558 | 0.000 | -0.005 | -0.141 | 0.000 |
13 | A | 13 | GLU | -1 | -0.899 | -0.961 | 5.151 | 0.985 | 0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | LYS | 1 | 0.972 | 0.997 | 6.440 | -1.343 | -1.343 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | TRP | 0 | -0.030 | -0.032 | 9.271 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ILE | 0 | -0.027 | -0.006 | 4.929 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LYS | 1 | 0.918 | 0.985 | 9.108 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASP | -1 | -0.774 | -0.918 | 11.525 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ARG | 1 | 0.850 | 0.923 | 8.492 | 0.709 | 0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ASP | -1 | -0.834 | -0.916 | 12.354 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ALA | 0 | 0.040 | 0.004 | 9.850 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.940 | -0.972 | 7.554 | -2.947 | -2.947 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | LYS | 1 | 0.975 | 0.998 | 9.507 | 0.703 | 0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | LYS | 1 | 0.916 | 0.970 | 13.074 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | VAL | 0 | 0.028 | 0.050 | 8.467 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ARG | 1 | 0.959 | 0.973 | 8.927 | 1.727 | 1.727 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | SER | 0 | -0.040 | -0.043 | 11.601 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLY | 0 | -0.006 | -0.001 | 13.891 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | LEU | 0 | 0.004 | -0.012 | 15.232 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | TYR | 0 | -0.038 | -0.011 | 14.727 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ILE | 0 | -0.011 | 0.013 | 13.022 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | LEU | 0 | -0.024 | -0.010 | 8.843 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | THR | 0 | -0.039 | -0.039 | 12.312 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLU | -1 | -0.891 | -0.957 | 13.709 | 0.487 | 0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASP | -1 | -0.879 | -0.925 | 14.896 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLY | 0 | 0.081 | 0.053 | 16.001 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | TYR | 0 | -0.060 | -0.039 | 12.556 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LEU | 0 | 0.012 | 0.026 | 16.481 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | ARG | 1 | 0.954 | 0.963 | 17.505 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ARG | 1 | 0.831 | 0.914 | 13.588 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | GLY | 0 | 0.024 | -0.002 | 20.179 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | ILE | 0 | -0.004 | 0.013 | 22.448 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | THR | 0 | -0.050 | -0.022 | 24.311 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | THR | 0 | 0.066 | 0.033 | 26.699 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLY | 0 | 0.017 | 0.005 | 28.576 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | THR | 0 | 0.053 | 0.004 | 24.025 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | THR | 0 | 0.001 | 0.007 | 27.094 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ALA | 0 | -0.018 | -0.008 | 29.916 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | SER | 0 | -0.016 | -0.017 | 28.354 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ALA | 0 | 0.024 | 0.018 | 28.769 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.033 | 0.013 | 30.428 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ALA | 0 | 0.002 | -0.013 | 33.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | VAL | 0 | -0.004 | -0.007 | 29.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ALA | 0 | 0.019 | 0.007 | 33.088 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ALA | 0 | 0.012 | 0.011 | 34.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ILE | 0 | -0.009 | -0.006 | 35.765 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ALA | 0 | 0.020 | 0.009 | 34.330 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | SER | 0 | -0.041 | -0.030 | 36.452 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | LEU | 0 | -0.050 | -0.015 | 38.960 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LYS | 1 | 0.831 | 0.936 | 37.096 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLU | -1 | -0.877 | -0.944 | 36.274 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | LYS | 1 | 0.956 | 0.997 | 36.061 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | VAL | 0 | -0.007 | 0.001 | 33.415 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLU | -1 | -0.889 | -0.948 | 33.347 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LYS | 1 | 0.910 | 0.958 | 27.360 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | VAL | 0 | 0.009 | 0.032 | 28.736 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | LYS | 1 | 0.925 | 0.964 | 22.137 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | VAL | 0 | -0.035 | -0.010 | 24.658 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | SER | 0 | 0.051 | 0.039 | 22.387 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | THR | 0 | -0.047 | -0.055 | 19.653 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | PRO | 0 | -0.022 | -0.018 | 21.112 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ALA | 0 | -0.085 | -0.050 | 16.384 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | GLY | 0 | 0.015 | 0.023 | 16.283 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | VAL | 0 | -0.034 | -0.004 | 14.493 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ASP | -1 | -0.870 | -0.932 | 17.176 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | VAL | 0 | -0.048 | -0.028 | 19.393 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | GLU | -1 | -0.967 | -0.982 | 21.664 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | VAL | 0 | -0.051 | -0.032 | 24.369 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | GLU | -1 | -0.889 | -0.949 | 27.258 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | VAL | 0 | -0.102 | -0.065 | 30.271 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | GLU | -1 | -0.889 | -0.940 | 33.533 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ALA | 0 | -0.033 | -0.029 | 36.701 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLU | -1 | -0.909 | -0.973 | 38.587 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LYS | 1 | 0.905 | 0.956 | 41.838 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | 0.038 | 0.022 | 41.665 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | PHE | 0 | 0.006 | 0.023 | 41.753 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ALA | 0 | 0.014 | 0.004 | 36.490 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ARG | 1 | 0.937 | 0.985 | 37.807 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | VAL | 0 | 0.015 | 0.001 | 31.190 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ARG | 1 | 0.902 | 0.957 | 33.263 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | LYS | 1 | 0.804 | 0.906 | 28.214 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | PHE | 0 | 0.020 | 0.023 | 23.522 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | SER | 0 | -0.008 | -0.050 | 26.230 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLY | 0 | -0.016 | -0.001 | 23.262 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASP | -1 | -0.839 | -0.923 | 21.984 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | HIS | 0 | -0.059 | -0.018 | 24.039 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | GLU | -1 | -0.979 | -0.996 | 25.442 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | PHE | 0 | -0.040 | -0.031 | 27.975 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ASP | -1 | -0.762 | -0.849 | 28.596 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | VAL | 0 | 0.013 | -0.003 | 30.653 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | THR | 0 | -0.033 | -0.006 | 32.170 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASN | 0 | 0.053 | 0.017 | 30.168 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | GLY | 0 | -0.005 | -0.005 | 31.847 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ILE | 0 | -0.017 | 0.005 | 33.812 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ILE | 0 | 0.001 | -0.009 | 34.705 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | PHE | 0 | -0.042 | -0.037 | 33.613 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLU | -1 | -0.797 | -0.923 | 36.562 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ALA | 0 | -0.063 | -0.019 | 36.982 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | GLU | -1 | -0.910 | -0.951 | 39.064 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | VAL | 0 | -0.002 | 0.017 | 40.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | CYS | 0 | -0.078 | -0.046 | 42.664 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | GLU | -1 | -0.861 | -0.941 | 45.165 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | THR | 0 | -0.045 | -0.010 | 45.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | SER | 0 | 0.055 | 0.022 | 42.629 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | GLY | 0 | -0.019 | -0.016 | 40.104 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ILE | 0 | -0.041 | -0.005 | 35.575 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | PHE | 0 | -0.021 | -0.010 | 38.918 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | PHE | 0 | 0.012 | 0.006 | 35.439 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLY | 0 | 0.029 | 0.009 | 40.825 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ARG | 1 | 0.969 | 0.970 | 43.134 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLY | 0 | 0.079 | 0.044 | 41.869 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | VAL | 0 | -0.047 | -0.011 | 38.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | GLY | 0 | 0.001 | 0.009 | 39.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | -0.007 | -0.016 | 41.112 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | LYS | 1 | 0.897 | 0.944 | 38.522 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | ALA | 0 | -0.024 | -0.009 | 43.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLY | 0 | 0.035 | 0.023 | 45.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | GLU | -1 | -0.909 | -0.942 | 41.390 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LYS | 1 | 0.849 | 0.927 | 39.601 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ALA | 0 | 0.015 | 0.012 | 37.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | VAL | 0 | -0.005 | -0.001 | 33.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | SER | 0 | -0.046 | -0.024 | 30.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ARG | 1 | 1.058 | 1.009 | 26.550 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | SER | 0 | -0.030 | -0.022 | 25.429 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | ALA | 0 | 0.046 | 0.037 | 27.605 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | LYS | 1 | 0.985 | 0.997 | 29.288 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LEU | 0 | -0.013 | -0.017 | 28.054 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLN | 0 | 0.005 | 0.003 | 24.876 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ILE | 0 | -0.004 | 0.001 | 27.680 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | LEU | 0 | -0.017 | -0.016 | 30.892 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLU | -1 | -0.908 | -0.945 | 25.043 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ASN | 0 | -0.015 | -0.018 | 26.428 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | PHE | 0 | 0.032 | 0.026 | 29.700 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ILE | 0 | -0.015 | 0.004 | 31.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | LYS | 1 | 0.955 | 0.972 | 24.750 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | 0.041 | 0.018 | 31.169 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | SER | 0 | 0.006 | -0.020 | 33.334 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ARG | 1 | 0.918 | 0.967 | 32.196 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLU | -1 | -0.962 | -0.964 | 30.393 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | PHE | 0 | -0.033 | -0.035 | 32.832 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASN | 0 | -0.046 | -0.012 | 37.227 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | PHE | 0 | -0.022 | 0.002 | 38.887 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | SER | 0 | 0.025 | -0.007 | 40.323 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | GLY | 0 | 0.039 | 0.044 | 42.746 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | GLY | 0 | 0.022 | -0.027 | 40.813 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | VAL | 0 | -0.030 | 0.008 | 37.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ARG | 1 | 0.941 | 0.970 | 40.353 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ILE | 0 | 0.006 | -0.011 | 34.827 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | SER | 0 | -0.067 | -0.052 | 38.951 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | VAL | 0 | -0.013 | 0.006 | 37.402 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | PRO | 0 | -0.030 | -0.002 | 39.966 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ASP | -1 | -0.829 | -0.897 | 41.096 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | GLY | 0 | -0.055 | -0.043 | 40.130 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | GLU | -1 | -0.924 | -0.979 | 41.059 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLU | -1 | -0.777 | -0.861 | 44.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | VAL | 0 | -0.009 | -0.007 | 37.647 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ALA | 0 | -0.024 | -0.023 | 40.113 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | LYS | 1 | 0.884 | 0.924 | 41.145 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | LYS | 1 | 0.903 | 0.971 | 38.832 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | THR | 0 | -0.018 | -0.005 | 36.597 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | GLY | 0 | -0.093 | -0.045 | 38.225 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | ASN | 0 | 0.048 | -0.010 | 37.778 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | GLU | -1 | -0.812 | -0.910 | 39.638 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | LYS | 1 | 0.842 | 0.955 | 41.836 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | VAL | 0 | -0.049 | -0.023 | 38.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLY | 0 | 0.029 | -0.005 | 41.324 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ILE | 0 | -0.093 | -0.030 | 37.738 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | LYS | 1 | 1.019 | 0.998 | 42.120 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | 0.065 | 0.035 | 44.801 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | GLY | 0 | 0.000 | 0.005 | 41.954 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ILE | 0 | -0.012 | -0.005 | 35.290 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | SER | 0 | 0.007 | -0.003 | 34.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | ILE | 0 | -0.012 | 0.023 | 31.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LEU | 0 | -0.040 | -0.049 | 28.619 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | GLY | 0 | 0.080 | 0.016 | 25.869 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | THR | 0 | -0.096 | -0.054 | 22.948 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | THR | 0 | 0.065 | 0.027 | 18.537 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | GLY | 0 | 0.101 | 0.063 | 20.477 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | PHE | 0 | 0.003 | 0.006 | 18.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | VAL | 0 | -0.079 | -0.031 | 21.379 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLU | -1 | -0.751 | -0.868 | 17.494 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | PRO | 0 | 0.020 | 0.013 | 19.050 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | TRP | 0 | -0.062 | -0.039 | 19.883 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | CYS | 0 | 0.094 | 0.064 | 22.639 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LYS | 1 | 1.012 | 0.990 | 23.045 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | LYS | 1 | 0.994 | 0.997 | 18.177 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | 0.014 | 0.024 | 16.941 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | VAL | 0 | -0.041 | -0.019 | 18.092 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | GLU | -1 | -0.906 | -0.954 | 19.283 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | THR | 0 | -0.058 | -0.056 | 13.887 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | LYS | 1 | 0.781 | 0.861 | 14.181 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | LEU | 0 | 0.002 | 0.016 | 14.654 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | LYS | 1 | 0.881 | 0.922 | 14.224 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ILE | 0 | -0.042 | -0.007 | 9.184 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | 0.012 | 0.007 | 10.667 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | MET | 0 | -0.008 | 0.003 | 12.949 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | GLN | 0 | -0.145 | -0.080 | 6.927 | 0.594 | 0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TYR | 0 | 0.006 | -0.001 | 5.595 | 0.270 | 0.369 | 0.000 | -0.003 | -0.096 | 0.000 |
209 | A | 209 | HIS | 0 | 0.080 | 0.042 | 10.950 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ARG | 1 | 0.993 | 1.002 | 13.079 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ILE | 0 | -0.011 | -0.002 | 13.105 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ALA | 0 | 0.005 | -0.009 | 15.203 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ILE | 0 | 0.005 | 0.005 | 17.265 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | THR | 0 | -0.024 | -0.053 | 18.575 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | THR | 0 | 0.062 | 0.029 | 21.110 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | GLY | 0 | 0.015 | -0.014 | 22.537 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ARG | 1 | 0.922 | 0.968 | 15.469 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | LYS | 1 | 0.948 | 0.969 | 20.898 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ALA | 0 | 0.018 | 0.026 | 22.519 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | TRP | 0 | 0.019 | 0.013 | 12.838 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | LEU | 0 | -0.023 | -0.021 | 17.758 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | TYR | 0 | -0.024 | -0.008 | 19.416 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | 0.056 | 0.015 | 17.861 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ARG | 1 | 0.942 | 0.991 | 11.166 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | LYS | 1 | 0.917 | 0.962 | 16.063 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | LYS | 1 | 0.879 | 0.929 | 18.832 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | PHE | 0 | -0.002 | 0.011 | 18.058 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | PRO | 0 | 0.022 | 0.015 | 14.359 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | GLU | -1 | -0.893 | -0.937 | 12.701 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | TYR | 0 | -0.029 | -0.020 | 13.359 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | GLN | 0 | 0.010 | -0.002 | 8.342 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | PRO | 0 | -0.071 | -0.024 | 11.399 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | PHE | 0 | 0.072 | 0.031 | 10.587 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | VAL | 0 | -0.099 | -0.018 | 15.473 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | PHE | 0 | 0.075 | 0.014 | 16.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | GLY | 0 | -0.039 | -0.008 | 20.863 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | VAL | 0 | 0.020 | -0.011 | 24.065 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | HIS | 1 | 0.884 | 0.950 | 23.355 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ILE | 0 | 0.042 | 0.012 | 23.532 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | ASP | -1 | -0.751 | -0.871 | 24.214 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLU | -1 | -0.856 | -0.941 | 22.613 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ALA | 0 | -0.016 | -0.005 | 19.969 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | LEU | 0 | -0.022 | -0.018 | 20.684 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | LYS | 1 | 0.874 | 0.952 | 22.295 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | HIS | 0 | -0.060 | -0.004 | 14.541 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PRO | 0 | 0.011 | 0.005 | 18.157 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | GLY | 0 | -0.005 | 0.005 | 17.410 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | GLU | -1 | -0.965 | -0.977 | 17.359 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LYS | 1 | 0.883 | 0.932 | 17.591 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ILE | 0 | -0.001 | 0.018 | 18.890 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ILE | 0 | 0.047 | 0.041 | 20.682 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | VAL | 0 | -0.017 | 0.003 | 21.165 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLY | 0 | 0.044 | -0.001 | 23.425 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | PHE | 0 | -0.034 | -0.009 | 25.562 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | PRO | 0 | 0.069 | 0.020 | 29.227 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLY | 0 | -0.035 | -0.013 | 32.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | LEU | 0 | 0.035 | -0.003 | 26.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | 0.035 | 0.031 | 26.999 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LYS | 1 | 0.949 | 0.988 | 30.351 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ILE | 0 | -0.080 | -0.028 | 31.715 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | TRP | 0 | -0.053 | -0.033 | 28.927 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ALA | 0 | -0.024 | 0.001 | 31.051 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | GLY | 0 | 0.058 | 0.025 | 33.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | SER | 0 | 0.007 | -0.009 | 36.317 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ARG | 1 | 0.812 | 0.882 | 35.246 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ASP | -1 | -0.820 | -0.905 | 36.578 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ARG | 1 | 0.910 | 0.952 | 36.305 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ILE | 0 | -0.065 | -0.021 | 30.933 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | GLU | -1 | -0.908 | -0.965 | 32.512 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLU | -1 | -0.865 | -0.929 | 33.810 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ARG | 1 | 0.865 | 0.916 | 30.146 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ALA | 0 | -0.073 | -0.033 | 29.662 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.915 | 0.944 | 30.196 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.879 | -0.906 | 32.508 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLU | -1 | -0.864 | -0.931 | 28.047 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLY | 0 | -0.030 | 0.006 | 28.110 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | VAL | 0 | -0.031 | -0.009 | 23.497 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | ARG | 1 | 0.972 | 0.984 | 24.853 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | VAL | 0 | 0.047 | 0.013 | 25.161 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | VAL | 0 | -0.089 | -0.052 | 24.282 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | VAL | 0 | 0.021 | 0.002 | 26.605 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ILE | 0 | -0.023 | -0.003 | 24.714 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | NME | 0 | 0.020 | -0.009 | 28.894 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |