FMODB ID: 2NJQR
Calculation Name: 3DXI-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3DXI
Chain ID: A
UniProt ID: A6L3P9
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 | 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 | 302 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4616952.32106 |
---|---|
FMO2-HF: Nuclear repulsion | 4496586.199867 |
FMO2-HF: Total energy | -120366.121193 |
FMO2-MP2: Total energy | -120714.100595 |
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:LEU)
Summations of interaction energy for
fragment #1(A:1:LEU)
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. |
-11.603 | -1.933 | 7.212 | -5.187 | -11.695 | -0.038 |
Interaction energy analysis for fragmet #1(A:1:LEU)
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 | 0.014 | 0.004 | 2.952 | -3.142 | 0.209 | 0.415 | -1.394 | -2.372 | -0.005 |
4 | A | 4 | LEU | 0 | -0.010 | -0.001 | 4.762 | 0.264 | 0.330 | -0.001 | -0.008 | -0.058 | 0.000 |
5 | A | 5 | ASP | -1 | -0.694 | -0.803 | 8.412 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | CYS | 0 | -0.021 | -0.001 | 11.612 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | THR | 0 | -0.011 | -0.040 | 14.399 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | LEU | 0 | -0.022 | 0.010 | 16.922 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ARG | 1 | 0.770 | 0.876 | 15.302 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | ASP | -1 | -0.723 | -0.856 | 16.004 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | GLY | 0 | 0.033 | -0.002 | 18.720 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | GLY | 0 | 0.018 | -0.007 | 20.843 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | TYR | 0 | -0.014 | 0.000 | 23.092 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | TYR | 0 | 0.015 | 0.006 | 22.681 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | THR | 0 | -0.034 | -0.026 | 26.774 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASN | 0 | 0.021 | 0.017 | 28.566 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | TRP | 0 | -0.010 | -0.018 | 22.062 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASP | -1 | -0.787 | -0.863 | 26.410 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | PHE | 0 | 0.043 | 0.024 | 22.975 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ASN | 0 | 0.011 | 0.004 | 27.632 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | SER | 0 | -0.036 | -0.054 | 27.503 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LYS | 1 | 0.901 | 0.951 | 26.696 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ILE | 0 | 0.033 | 0.039 | 23.346 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | VAL | 0 | 0.001 | -0.006 | 22.510 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ASP | -1 | -0.751 | -0.859 | 22.070 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ALA | 0 | 0.034 | 0.015 | 22.664 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | TYR | 0 | -0.048 | -0.062 | 15.304 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ILE | 0 | -0.010 | -0.010 | 17.856 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | LEU | 0 | -0.012 | -0.003 | 17.999 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ALA | 0 | 0.058 | 0.026 | 17.828 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | MET | 0 | -0.038 | -0.017 | 13.260 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ASN | 0 | 0.003 | 0.034 | 13.611 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLU | -1 | -0.930 | -0.963 | 14.610 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LEU | 0 | -0.032 | -0.003 | 12.115 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | PRO | 0 | -0.009 | -0.008 | 7.634 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ILE | 0 | -0.025 | -0.020 | 7.104 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ASP | -1 | -0.776 | -0.869 | 5.428 | -0.786 | -0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | TYR | 0 | -0.047 | -0.059 | 8.374 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | LEU | 0 | 0.031 | 0.010 | 10.673 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | GLU | -1 | -0.763 | -0.869 | 13.670 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | VAL | 0 | 0.012 | -0.003 | 15.378 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLY | 0 | -0.006 | -0.017 | 18.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | TYR | 0 | -0.011 | 0.001 | 20.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ARG | 1 | 0.804 | 0.925 | 22.714 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASN | 0 | -0.005 | -0.016 | 25.189 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | LYS | 1 | 0.867 | 0.916 | 28.115 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PRO | 0 | -0.014 | -0.020 | 31.828 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | SER | 0 | 0.007 | 0.001 | 32.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | LYS | 1 | 0.857 | 0.922 | 34.109 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | GLU | -1 | -0.870 | -0.923 | 34.916 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | TYR | 0 | -0.059 | -0.048 | 32.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | MET | 0 | -0.025 | -0.007 | 27.014 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | GLY | 0 | 0.073 | 0.046 | 29.704 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | LYS | 1 | 0.834 | 0.906 | 27.559 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | PHE | 0 | -0.005 | -0.021 | 22.935 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | GLY | 0 | 0.033 | 0.019 | 24.105 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | TYR | 0 | -0.016 | 0.004 | 26.621 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | THR | 0 | -0.014 | -0.020 | 22.609 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | PRO | 0 | 0.012 | 0.013 | 25.898 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | VAL | 0 | 0.085 | 0.024 | 27.611 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | SER | 0 | -0.028 | -0.005 | 28.455 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | VAL | 0 | 0.011 | 0.005 | 24.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | LEU | 0 | 0.035 | 0.017 | 22.207 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.945 | 0.976 | 24.151 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | HIS | 0 | -0.047 | -0.020 | 26.124 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LEU | 0 | 0.005 | -0.016 | 21.044 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ARG | 1 | 0.798 | 0.863 | 18.191 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ASN | 0 | -0.035 | -0.023 | 22.103 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ILE | 0 | -0.038 | -0.006 | 21.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | SER | 0 | -0.017 | 0.003 | 16.665 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | THR | 0 | -0.058 | -0.053 | 16.096 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | LYS | 1 | 0.794 | 0.909 | 11.054 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | LYS | 1 | 0.854 | 0.921 | 11.214 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ILE | 0 | 0.018 | 0.007 | 13.914 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ALA | 0 | 0.011 | -0.005 | 14.248 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ILE | 0 | -0.029 | -0.011 | 16.294 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | MET | 0 | -0.044 | -0.005 | 15.674 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LEU | 0 | 0.038 | 0.016 | 19.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ASN | 0 | -0.011 | -0.011 | 21.301 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLU | -1 | -0.757 | -0.854 | 22.552 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | LYS | 1 | 0.977 | 0.992 | 24.419 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ASN | 0 | -0.074 | -0.038 | 27.247 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | THR | 0 | -0.051 | -0.035 | 25.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | THR | 0 | -0.015 | -0.015 | 28.334 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PRO | 0 | 0.029 | -0.012 | 28.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | GLU | -1 | -0.845 | -0.922 | 29.867 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ASP | -1 | -0.772 | -0.855 | 29.632 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LEU | 0 | 0.008 | 0.007 | 25.617 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | ASN | 0 | -0.007 | -0.014 | 28.710 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | HIS | 0 | -0.002 | 0.001 | 31.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | LEU | 0 | -0.031 | -0.017 | 26.535 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | LEU | 0 | 0.001 | -0.002 | 23.093 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | LEU | 0 | 0.064 | 0.039 | 26.358 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | PRO | 0 | -0.059 | -0.031 | 29.045 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ILE | 0 | -0.027 | -0.020 | 23.009 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ILE | 0 | 0.045 | 0.033 | 24.295 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | GLY | 0 | 0.021 | 0.020 | 22.781 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | LEU | 0 | -0.068 | -0.037 | 22.816 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | VAL | 0 | -0.034 | -0.006 | 18.738 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASP | -1 | -0.769 | -0.841 | 15.748 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | MET | 0 | -0.026 | -0.010 | 10.817 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ILE | 0 | -0.014 | -0.005 | 16.011 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | ARG | 1 | 0.794 | 0.856 | 9.512 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ILE | 0 | -0.003 | -0.005 | 16.541 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | 0.010 | 0.012 | 17.773 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ILE | 0 | -0.010 | -0.016 | 18.066 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ASP | -1 | -0.825 | -0.921 | 20.350 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | PRO | 0 | 0.012 | 0.000 | 20.970 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | GLN | 0 | -0.025 | -0.011 | 22.519 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ASN | 0 | -0.041 | -0.019 | 25.065 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ILE | 0 | 0.023 | 0.017 | 19.473 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ASP | -1 | -0.792 | -0.881 | 23.361 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ARG | 1 | 0.828 | 0.892 | 26.085 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ALA | 0 | 0.029 | 0.007 | 21.472 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ILE | 0 | -0.001 | 0.008 | 21.991 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | VAL | 0 | -0.025 | -0.009 | 23.348 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | LEU | 0 | -0.005 | -0.002 | 23.836 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ALA | 0 | 0.036 | 0.008 | 20.039 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | LYS | 1 | 0.953 | 0.973 | 21.940 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ALA | 0 | 0.011 | 0.012 | 23.997 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ILE | 0 | 0.019 | 0.009 | 20.967 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | LYS | 1 | 0.804 | 0.894 | 16.693 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | THR | 0 | -0.098 | -0.057 | 21.950 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | MET | 0 | -0.065 | -0.027 | 24.421 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLY | 0 | -0.002 | 0.005 | 22.313 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | PHE | 0 | -0.040 | -0.012 | 19.179 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLU | -1 | -0.750 | -0.838 | 12.775 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | VAL | 0 | -0.041 | -0.034 | 15.673 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | GLY | 0 | 0.023 | 0.010 | 13.560 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | PHE | 0 | 0.006 | -0.020 | 14.191 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ASN | 0 | 0.010 | -0.001 | 12.506 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | VAL | 0 | -0.022 | -0.001 | 14.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | MET | 0 | -0.021 | -0.013 | 16.379 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | TYR | 0 | 0.021 | -0.017 | 18.841 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | MET | 0 | 0.050 | 0.033 | 12.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | SER | 0 | 0.004 | -0.012 | 17.565 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LYS | 1 | 0.919 | 0.967 | 20.113 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | TRP | 0 | -0.039 | -0.032 | 14.744 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ALA | 0 | -0.006 | 0.004 | 21.606 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | GLU | -1 | -0.898 | -0.938 | 22.873 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | MET | 0 | -0.083 | -0.025 | 24.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ASN | 0 | 0.013 | -0.010 | 25.709 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | 0.042 | 0.030 | 26.937 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | PHE | 0 | -0.030 | -0.020 | 18.853 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | LEU | 0 | 0.036 | 0.004 | 18.721 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | SER | 0 | 0.009 | 0.001 | 21.123 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LYS | 1 | 0.847 | 0.905 | 23.455 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LEU | 0 | 0.014 | 0.021 | 16.722 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | LYS | 1 | 1.000 | 1.009 | 19.376 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ALA | 0 | -0.048 | -0.026 | 21.193 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ILE | 0 | 0.008 | 0.002 | 15.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASP | -1 | -0.803 | -0.865 | 17.315 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LYS | 1 | 0.848 | 0.908 | 17.553 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ILE | 0 | -0.058 | -0.015 | 18.652 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ALA | 0 | -0.008 | 0.002 | 14.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ASP | -1 | -0.759 | -0.860 | 12.368 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LEU | 0 | -0.020 | -0.007 | 7.729 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | PHE | 0 | -0.019 | 0.003 | 10.505 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | CYS | 0 | -0.063 | -0.019 | 9.959 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | MET | 0 | 0.009 | -0.002 | 9.970 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | VAL | 0 | 0.028 | 0.006 | 11.696 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ASP | -1 | -0.763 | -0.883 | 13.753 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | SER | 0 | -0.058 | -0.041 | 15.585 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | PHE | 0 | -0.037 | -0.020 | 18.615 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | 0.001 | 0.009 | 16.973 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLY | 0 | -0.016 | -0.024 | 18.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ILE | 0 | -0.070 | -0.001 | 14.246 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | THR | 0 | -0.014 | -0.046 | 16.538 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | PRO | 0 | 0.054 | 0.009 | 13.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | LYS | 1 | 0.957 | 0.981 | 14.037 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | GLU | -1 | -0.804 | -0.874 | 16.205 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | VAL | 0 | -0.002 | 0.010 | 10.209 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | LYS | 1 | 0.853 | 0.926 | 10.604 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | ASN | 0 | -0.061 | -0.016 | 12.835 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LEU | 0 | 0.012 | -0.008 | 14.488 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LEU | 0 | 0.013 | 0.015 | 7.755 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | LYS | 1 | 0.834 | 0.897 | 11.845 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | GLU | -1 | -0.830 | -0.896 | 14.167 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | VAL | 0 | 0.006 | -0.002 | 12.862 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ARG | 1 | 0.824 | 0.889 | 7.030 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | LYS | 1 | 0.807 | 0.910 | 14.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | TYR | 0 | -0.095 | -0.058 | 17.600 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | THR | 0 | -0.092 | -0.068 | 14.548 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | HIS | 0 | 0.008 | -0.009 | 13.973 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | VAL | 0 | -0.053 | 0.002 | 12.416 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | PRO | 0 | 0.009 | 0.001 | 7.125 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | VAL | 0 | -0.001 | -0.005 | 7.752 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | GLY | 0 | 0.023 | -0.004 | 5.969 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | PHE | 0 | -0.034 | -0.009 | 6.538 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | HIS | 1 | 0.805 | 0.877 | 7.667 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLY | 0 | 0.045 | 0.020 | 10.279 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | HIS | 0 | -0.078 | -0.033 | 12.134 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ASP | -1 | -0.767 | -0.898 | 15.372 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ASN | 0 | -0.038 | -0.020 | 17.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LEU | 0 | -0.003 | 0.022 | 19.256 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | GLN | 0 | -0.024 | -0.012 | 17.493 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | 0.028 | 0.022 | 15.519 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLY | 0 | 0.039 | 0.034 | 12.457 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | LEU | 0 | 0.042 | 0.023 | 9.000 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ILE | 0 | 0.032 | 0.022 | 9.572 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.007 | -0.014 | 11.038 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | SER | 0 | 0.030 | -0.004 | 6.139 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ILE | 0 | -0.001 | 0.002 | 5.885 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | THR | 0 | -0.030 | -0.027 | 7.098 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | 0.009 | 0.006 | 6.410 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ILE | 0 | 0.028 | 0.012 | 2.413 | -0.968 | -1.021 | 3.712 | -0.488 | -3.172 | 0.001 |
207 | A | 207 | ASP | -1 | -0.839 | -0.902 | 4.453 | -0.714 | -0.612 | -0.001 | -0.009 | -0.092 | 0.000 |
208 | A | 208 | ASP | -1 | -0.850 | -0.945 | 6.869 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | GLY | 0 | -0.034 | 0.010 | 5.746 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ILE | 0 | -0.063 | -0.012 | 3.194 | -0.079 | 0.382 | 0.072 | -0.097 | -0.436 | 0.000 |
211 | A | 211 | ASP | -1 | -0.754 | -0.851 | 2.871 | -1.406 | 0.628 | 0.480 | -0.942 | -1.572 | -0.009 |
212 | A | 212 | PHE | 0 | 0.003 | -0.013 | 2.640 | -3.502 | -1.043 | 1.915 | -2.105 | -2.269 | -0.024 |
213 | A | 213 | ILE | 0 | -0.006 | -0.001 | 2.429 | -0.580 | 0.144 | 0.563 | -0.039 | -1.246 | -0.001 |
214 | A | 214 | ASP | -1 | -0.721 | -0.810 | 4.435 | -0.332 | -0.325 | -0.001 | -0.007 | 0.001 | 0.000 |
215 | A | 215 | ALA | 0 | -0.015 | -0.017 | 8.069 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | THR | 0 | -0.048 | -0.038 | 10.147 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ILE | 0 | 0.079 | 0.048 | 13.642 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | THR | 0 | -0.043 | -0.030 | 15.607 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | GLY | 0 | 0.040 | 0.026 | 15.369 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | MET | 0 | -0.090 | 0.014 | 16.362 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLY | 0 | 0.045 | 0.011 | 17.530 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ARG | 1 | 0.803 | 0.903 | 19.157 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | GLY | 0 | 0.015 | -0.001 | 21.556 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ALA | 0 | 0.011 | -0.005 | 20.590 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLY | 0 | 0.006 | 0.027 | 18.876 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | ASN | 0 | -0.068 | -0.049 | 13.430 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LEU | 0 | 0.001 | 0.004 | 8.122 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LYS | 1 | 0.898 | 0.932 | 12.315 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | MET | 0 | 0.009 | 0.027 | 8.865 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | GLU | -1 | -0.753 | -0.888 | 10.143 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | LEU | 0 | -0.014 | 0.014 | 12.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | LEU | 0 | 0.008 | -0.002 | 4.840 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | LEU | 0 | 0.007 | 0.001 | 7.055 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | THR | 0 | 0.007 | -0.016 | 8.786 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | TYR | 0 | -0.018 | -0.010 | 8.219 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | LEU | 0 | 0.030 | -0.001 | 3.326 | -0.438 | 0.005 | 0.059 | -0.096 | -0.406 | 0.000 |
237 | A | 237 | ASN | 0 | -0.054 | -0.023 | 7.141 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.897 | 0.953 | 9.849 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | HIS | 0 | -0.108 | -0.056 | 9.589 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | HIS | 0 | -0.031 | -0.034 | 5.477 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLY | 0 | 0.009 | 0.020 | 7.089 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | LEU | 0 | -0.028 | -0.004 | 4.727 | -0.070 | 0.006 | -0.001 | -0.002 | -0.073 | 0.000 |
243 | A | 243 | ASN | 0 | 0.026 | 0.007 | 7.597 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | 0.010 | -0.005 | 9.617 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ASP | -1 | -0.772 | -0.856 | 12.142 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | 0.023 | -0.017 | 13.361 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ASN | 0 | -0.036 | -0.016 | 16.963 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | VAL | 0 | 0.013 | 0.020 | 17.277 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LEU | 0 | -0.018 | 0.000 | 13.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | GLY | 0 | 0.040 | 0.019 | 16.819 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASN | 0 | -0.025 | -0.009 | 20.121 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | ILE | 0 | 0.000 | 0.017 | 16.500 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | ILE | 0 | 0.021 | -0.003 | 16.730 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | THR | 0 | -0.025 | -0.008 | 19.974 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | THR | 0 | -0.076 | -0.050 | 22.303 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | PHE | 0 | -0.005 | -0.018 | 20.480 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | THR | 0 | -0.024 | -0.007 | 23.018 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | PRO | 0 | 0.050 | 0.027 | 24.782 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LEU | 0 | -0.074 | -0.038 | 24.618 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | LEU | 0 | 0.040 | 0.019 | 21.948 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | GLU | -1 | -0.887 | -0.959 | 25.059 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LYS | 1 | 0.880 | 0.956 | 28.581 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | TYR | 0 | -0.107 | -0.076 | 26.608 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | GLN | 0 | -0.070 | -0.024 | 26.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | TRP | 0 | -0.039 | -0.002 | 20.094 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | GLY | 0 | 0.044 | 0.017 | 21.629 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | THR | 0 | -0.081 | -0.064 | 21.667 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ASN | 0 | 0.031 | 0.009 | 23.478 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LEU | 0 | 0.057 | 0.031 | 26.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PRO | 0 | 0.017 | -0.002 | 28.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | TYR | 0 | 0.018 | 0.029 | 23.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | MET | 0 | -0.001 | 0.012 | 24.197 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LEU | 0 | -0.002 | 0.001 | 25.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | SER | 0 | 0.043 | 0.017 | 24.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLY | 0 | 0.022 | 0.023 | 22.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ALA | 0 | -0.048 | -0.035 | 22.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ASN | 0 | -0.068 | -0.037 | 24.890 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | ASN | 0 | -0.023 | 0.005 | 22.132 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ILE | 0 | 0.043 | 0.038 | 24.607 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | PRO | 0 | -0.009 | -0.013 | 24.740 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | GLN | 0 | 0.066 | 0.019 | 21.170 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | LYS | 1 | 0.799 | 0.879 | 25.766 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | GLU | -1 | -0.875 | -0.929 | 28.512 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | VAL | 0 | 0.024 | 0.008 | 28.969 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | MET | 0 | 0.014 | 0.009 | 29.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ASP | -1 | -0.804 | -0.875 | 31.540 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | TRP | 0 | -0.022 | -0.030 | 32.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | VAL | 0 | 0.001 | 0.005 | 33.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | THR | 0 | -0.051 | -0.019 | 34.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ASN | 0 | -0.034 | -0.027 | 37.449 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ARG | 1 | 0.858 | 0.941 | 40.029 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | VAL | 0 | 0.000 | 0.011 | 41.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | TYR | 0 | 0.021 | 0.018 | 37.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | SER | 0 | 0.061 | 0.027 | 38.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | PHE | 0 | 0.108 | 0.027 | 32.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ASN | 0 | 0.026 | 0.005 | 35.904 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | SER | 0 | -0.049 | -0.034 | 38.186 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | ILE | 0 | 0.003 | 0.015 | 32.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ILE | 0 | 0.029 | 0.015 | 32.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ARG | 1 | 0.887 | 0.954 | 35.095 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | ALA | 0 | -0.021 | 0.001 | 36.192 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | LEU | 0 | -0.046 | -0.022 | 31.001 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |