![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2JY3R
Calculation Name: 5JJC-A-Xray372
Preferred Name:
Target Type:
Ligand Name: (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
ligand 3-letter code: LLP
PDB ID: 5JJC
Chain ID: A
UniProt ID: A0A0F6
Base Structure: X-ray
Registration Date: 2023-09-20
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 | OptHSide |
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 | 331 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4924104.009937 |
---|---|
FMO2-HF: Nuclear repulsion | 4800553.174118 |
FMO2-HF: Total energy | -123550.835819 |
FMO2-MP2: Total energy | -123915.999185 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030453/ligand_interaction/ligand_F030453.png)
Ligand Interaction
![ligand interaction](./Kdata/F030453/ligand_interaction/ligand_interaction_F030453.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. |
-3.291 | -0.546 | -0.039 | -1.407 | -1.3 | 0.004 |
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 | ASN | 0 | 0.046 | 0.020 | 3.802 | -1.462 | 1.283 | -0.039 | -1.407 | -1.300 | 0.004 |
4 | A | 4 | SER | 0 | -0.063 | -0.018 | 6.909 | 0.679 | 0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | VAL | 0 | 0.054 | 0.017 | 8.465 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | LEU | 0 | 0.012 | 0.008 | 10.468 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ASP | -1 | -0.834 | -0.915 | 7.044 | -2.492 | -2.492 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | THR | 0 | -0.093 | -0.060 | 7.112 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ILE | 0 | -0.059 | -0.022 | 9.287 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | GLY | 0 | -0.006 | 0.007 | 12.405 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ASN | 0 | -0.020 | -0.025 | 11.443 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | THR | 0 | -0.009 | 0.001 | 13.159 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PRO | 0 | 0.030 | 0.016 | 14.872 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | LEU | 0 | -0.005 | -0.006 | 17.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ILE | 0 | -0.002 | -0.008 | 20.206 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ARG | 1 | 0.799 | 0.882 | 22.943 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LEU | 0 | -0.010 | -0.009 | 26.412 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | SER | 0 | -0.033 | -0.031 | 29.204 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | LYS | 1 | 0.854 | 0.917 | 31.646 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ALA | 0 | -0.015 | -0.016 | 32.531 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | SER | 0 | 0.011 | -0.005 | 31.274 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.841 | -0.918 | 33.896 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | LEU | 0 | -0.095 | -0.032 | 36.799 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | THR | 0 | -0.061 | -0.054 | 36.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLY | 0 | 0.022 | 0.028 | 38.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | CYS | 0 | -0.081 | 0.001 | 34.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ASP | -1 | -0.776 | -0.851 | 29.234 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ILE | 0 | -0.025 | -0.017 | 30.053 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | TYR | 0 | -0.012 | -0.026 | 24.110 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | GLY | 0 | 0.003 | -0.010 | 25.251 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LYS | 1 | 0.799 | 0.897 | 17.708 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ALA | 0 | 0.042 | 0.018 | 18.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLU | -1 | -0.729 | -0.827 | 18.242 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | PHE | 0 | -0.018 | -0.010 | 19.137 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | LEU | 0 | -0.063 | -0.033 | 15.012 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ASN | 0 | -0.009 | 0.002 | 14.273 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | PRO | 0 | 0.008 | 0.018 | 12.619 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLY | 0 | 0.009 | -0.003 | 14.691 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLN | 0 | -0.091 | -0.061 | 17.665 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | SER | 0 | -0.023 | -0.024 | 19.480 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | VAL | 0 | 0.048 | 0.032 | 19.872 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LLP | 0 | 0.092 | 0.204 | 21.324 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ASP | -1 | -0.736 | -0.863 | 16.671 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ARG | 1 | 0.748 | 0.819 | 17.134 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ALA | 0 | 0.045 | 0.016 | 19.381 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ALA | 0 | -0.034 | -0.012 | 20.492 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | LEU | 0 | 0.040 | 0.017 | 15.115 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | TYR | 0 | -0.016 | -0.041 | 18.320 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | ILE | 0 | -0.056 | -0.029 | 21.403 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | -0.007 | 0.000 | 21.270 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ARG | 1 | 0.912 | 0.940 | 14.824 | 0.753 | 0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ASP | -1 | -0.828 | -0.890 | 21.518 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ALA | 0 | 0.009 | 0.001 | 24.865 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLU | -1 | -0.764 | -0.847 | 20.308 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | LYS | 1 | 0.870 | 0.940 | 22.028 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ARG | 1 | 0.796 | 0.887 | 25.234 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLY | 0 | 0.017 | 0.020 | 27.481 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | LEU | 0 | -0.061 | -0.035 | 28.715 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | LEU | 0 | -0.037 | -0.011 | 25.279 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ARG | 1 | 0.871 | 0.946 | 25.291 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PRO | 0 | 0.049 | 0.011 | 22.343 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | GLY | 0 | 0.012 | 0.011 | 24.671 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLY | 0 | -0.001 | 0.003 | 26.734 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | VAL | 0 | -0.042 | -0.022 | 27.162 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ILE | 0 | 0.010 | 0.004 | 24.227 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | VAL | 0 | 0.019 | 0.006 | 28.419 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLU | -1 | -0.782 | -0.910 | 28.925 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | GLY | 0 | 0.011 | 0.031 | 31.374 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | THR | 0 | -0.081 | -0.079 | 29.207 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ALA | 0 | 0.033 | 0.007 | 31.839 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLY | 0 | 0.050 | 0.015 | 29.374 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASN | 0 | -0.003 | -0.023 | 25.005 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | THR | 0 | 0.014 | -0.011 | 24.411 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.061 | 0.037 | 25.040 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ILE | 0 | -0.023 | 0.006 | 21.715 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | GLY | 0 | 0.030 | 0.021 | 20.387 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | -0.012 | -0.021 | 20.436 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | THR | 0 | 0.005 | 0.002 | 22.251 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | MET | 0 | -0.017 | 0.010 | 15.958 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | VAL | 0 | 0.016 | 0.001 | 17.088 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ALA | 0 | 0.005 | -0.004 | 18.448 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | LYS | 1 | 0.844 | 0.932 | 18.998 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ALA | 0 | -0.040 | -0.016 | 14.375 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | -0.051 | -0.023 | 15.859 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | 0.004 | 0.023 | 18.180 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | TYR | 0 | -0.105 | -0.078 | 21.106 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ARG | 1 | 0.786 | 0.845 | 23.572 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | THR | 0 | -0.004 | -0.021 | 25.151 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | ALA | 0 | 0.019 | 0.024 | 27.681 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ILE | 0 | -0.034 | -0.022 | 27.615 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | VAL | 0 | 0.006 | 0.005 | 31.592 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ILE | 0 | -0.004 | -0.010 | 31.669 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | PRO | 0 | 0.011 | -0.003 | 35.127 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLU | -1 | -0.858 | -0.933 | 37.212 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | THR | 0 | -0.031 | -0.010 | 39.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | -0.014 | -0.001 | 33.653 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | SER | 0 | 0.003 | -0.007 | 31.402 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | GLN | 0 | 0.014 | -0.007 | 32.850 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | GLU | -1 | -0.756 | -0.865 | 29.166 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LYS | 1 | 0.800 | 0.896 | 27.973 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | LYS | 1 | 0.782 | 0.877 | 28.694 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.822 | -0.915 | 29.870 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | ALA | 0 | -0.009 | -0.001 | 24.660 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LEU | 0 | -0.035 | -0.017 | 25.250 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ARG | 1 | 0.875 | 0.939 | 26.850 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LEU | 0 | -0.014 | 0.002 | 24.318 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | LEU | 0 | -0.032 | -0.009 | 20.140 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | GLY | 0 | 0.019 | 0.008 | 23.093 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ALA | 0 | -0.045 | -0.011 | 25.805 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLU | -1 | -0.953 | -0.963 | 27.602 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | LEU | 0 | -0.054 | -0.028 | 30.895 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.027 | 0.000 | 32.964 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | GLU | -1 | -0.816 | -0.899 | 36.346 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | VAL | 0 | -0.014 | -0.010 | 38.217 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | PRO | 0 | 0.047 | 0.030 | 40.749 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ALA | 0 | -0.019 | 0.002 | 41.588 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ALA | 0 | 0.030 | 0.004 | 42.409 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | PRO | 0 | 0.042 | 0.027 | 42.800 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | TYR | 0 | 0.084 | 0.028 | 39.242 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ARG | 1 | 1.011 | 0.999 | 43.352 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ASN | 0 | 0.020 | 0.026 | 46.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | PRO | 0 | 0.053 | 0.014 | 44.840 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ASN | 0 | 0.015 | 0.009 | 43.932 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ASN | 0 | -0.022 | 0.000 | 39.905 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | 0.081 | 0.035 | 36.793 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | VAL | 0 | 0.014 | 0.019 | 35.444 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ARG | 1 | 0.872 | 0.932 | 37.246 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | -0.017 | -0.008 | 39.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | SER | 0 | 0.003 | -0.003 | 34.764 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLY | 0 | 0.059 | 0.025 | 36.533 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ARG | 1 | 0.861 | 0.913 | 37.755 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | LEU | 0 | 0.002 | 0.012 | 35.929 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | 0.032 | 0.013 | 34.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLU | -1 | -0.887 | -0.933 | 36.209 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | -0.045 | -0.029 | 39.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | LEU | 0 | 0.047 | 0.009 | 34.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ALA | 0 | -0.018 | -0.002 | 35.915 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LYS | 1 | 0.771 | 0.882 | 36.906 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | THR | 0 | -0.013 | -0.013 | 38.271 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | GLU | -1 | -0.796 | -0.840 | 32.640 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | PRO | 0 | 0.013 | 0.018 | 33.739 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ASN | 0 | -0.045 | -0.021 | 28.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | 0.025 | 0.013 | 29.548 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ALA | 0 | 0.019 | 0.006 | 30.928 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | -0.012 | 0.003 | 27.412 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | TRP | 0 | -0.020 | -0.003 | 31.200 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ALA | 0 | 0.002 | -0.003 | 27.873 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ASN | 0 | 0.015 | 0.003 | 29.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLN | 0 | 0.074 | 0.046 | 28.684 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | PHE | 0 | -0.038 | -0.026 | 29.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASP | -1 | -0.765 | -0.849 | 33.010 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASN | 0 | 0.020 | 0.035 | 28.519 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | THR | 0 | 0.020 | -0.002 | 29.491 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | VAL | 0 | 0.032 | 0.025 | 25.176 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ASN | 0 | -0.094 | -0.061 | 24.840 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ARG | 1 | 0.904 | 0.941 | 25.185 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | GLN | 0 | -0.089 | -0.048 | 24.150 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ALA | 0 | 0.045 | 0.027 | 20.963 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | HIS | 0 | -0.013 | 0.031 | 21.203 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ILE | 0 | 0.006 | 0.024 | 23.268 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | GLU | -1 | -0.824 | -0.883 | 20.584 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | THR | 0 | -0.049 | -0.024 | 17.092 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | THR | 0 | -0.012 | -0.034 | 18.986 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ALA | 0 | 0.036 | 0.025 | 20.691 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLN | 0 | 0.004 | 0.006 | 19.688 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.745 | -0.835 | 16.096 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ILE | 0 | 0.000 | 0.015 | 18.864 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | TRP | 0 | 0.012 | 0.016 | 22.059 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ARG | 1 | 0.773 | 0.849 | 14.361 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ASP | -1 | -0.839 | -0.894 | 17.487 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | THR | 0 | -0.082 | -0.048 | 20.305 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | SER | 0 | -0.043 | -0.026 | 22.797 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASP | -1 | -0.872 | -0.948 | 24.439 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLN | 0 | -0.058 | -0.028 | 27.156 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ILE | 0 | -0.053 | -0.014 | 26.884 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | ASP | -1 | -0.777 | -0.887 | 29.106 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | GLY | 0 | -0.013 | -0.014 | 31.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | PHE | 0 | -0.008 | -0.001 | 25.994 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | VAL | 0 | 0.019 | 0.018 | 30.290 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ALA | 0 | -0.017 | 0.009 | 28.975 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ALA | 0 | 0.040 | 0.034 | 31.010 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | VAL | 0 | 0.010 | 0.000 | 31.231 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | -0.041 | -0.030 | 31.627 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | SER | 0 | -0.062 | -0.087 | 29.394 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | GLY | 0 | 0.036 | 0.002 | 31.211 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | GLY | 0 | 0.003 | 0.004 | 27.906 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | THR | 0 | -0.019 | -0.071 | 25.069 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.003 | 0.011 | 26.958 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.026 | 0.013 | 29.999 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | GLY | 0 | -0.004 | -0.008 | 27.182 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | THR | 0 | -0.002 | -0.028 | 25.126 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ALA | 0 | -0.007 | -0.003 | 26.783 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ILE | 0 | -0.024 | -0.007 | 29.281 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | GLY | 0 | 0.051 | 0.026 | 26.157 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LEU | 0 | -0.024 | -0.015 | 25.605 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | LYS | 1 | 0.827 | 0.900 | 28.274 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLU | -1 | -0.960 | -0.973 | 28.257 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ARG | 1 | 0.840 | 0.937 | 22.589 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ASN | 0 | 0.046 | 0.009 | 29.193 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | HIS | 0 | 0.027 | 0.030 | 32.176 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.117 | -0.065 | 35.122 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ILE | 0 | 0.025 | 0.034 | 29.543 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | LYS | 1 | 0.818 | 0.906 | 33.845 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ILE | 0 | -0.009 | -0.014 | 31.417 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | -0.002 | 0.003 | 34.116 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | LEU | 0 | -0.011 | -0.002 | 34.257 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ALA | 0 | -0.019 | -0.006 | 34.402 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | ASP | -1 | -0.803 | -0.933 | 35.708 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PRO | 0 | -0.015 | 0.012 | 36.725 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | HIS | 0 | 0.077 | 0.026 | 39.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | GLY | 0 | -0.010 | 0.007 | 41.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ALA | 0 | -0.070 | -0.019 | 39.651 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ALA | 0 | -0.013 | -0.020 | 41.543 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | LEU | 0 | -0.003 | -0.003 | 37.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | HIS | 0 | 0.072 | 0.053 | 41.492 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | 0.014 | 0.034 | 42.732 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | 0.011 | 0.019 | 42.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | TYR | 0 | 0.017 | -0.011 | 38.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | THR | 0 | -0.059 | -0.040 | 43.909 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | THR | 0 | -0.080 | -0.060 | 46.596 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLY | 0 | 0.006 | 0.012 | 47.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | GLU | -1 | -0.964 | -0.984 | 48.897 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | LEU | 0 | -0.084 | -0.040 | 43.090 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LYS | 1 | 0.853 | 0.932 | 46.853 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ALA | 0 | -0.011 | -0.002 | 45.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.883 | -0.941 | 46.616 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLY | 0 | -0.016 | -0.006 | 46.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ASP | -1 | -0.937 | -0.986 | 43.464 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | SER | 0 | -0.034 | -0.031 | 39.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ILE | 0 | -0.034 | -0.028 | 38.004 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | THR | 0 | -0.082 | -0.040 | 34.546 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLU | -1 | -0.769 | -0.879 | 32.372 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLY | 0 | -0.103 | -0.049 | 30.580 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ILE | 0 | -0.027 | -0.031 | 31.452 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | GLY | 0 | 0.058 | 0.043 | 33.823 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | GLN | 0 | -0.048 | -0.021 | 35.595 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | GLY | 0 | 0.043 | 0.008 | 38.350 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | ARG | 1 | 0.734 | 0.835 | 37.405 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ILE | 0 | 0.074 | 0.032 | 39.189 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | THR | 0 | -0.067 | -0.036 | 34.445 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | ALA | 0 | 0.085 | 0.030 | 34.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ASN | 0 | -0.055 | -0.048 | 30.132 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | LEU | 0 | -0.003 | 0.010 | 33.008 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | GLU | -1 | -0.939 | -0.958 | 35.575 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | GLY | 0 | -0.002 | 0.002 | 36.304 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | -0.030 | -0.010 | 33.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | THR | 0 | -0.016 | -0.022 | 36.990 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | PRO | 0 | -0.060 | -0.002 | 37.249 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ASP | -1 | -0.777 | -0.874 | 37.369 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | PHE | 0 | 0.019 | 0.009 | 38.635 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | SER | 0 | 0.001 | -0.026 | 38.958 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | TYR | 0 | -0.069 | -0.070 | 37.661 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLN | 0 | 0.001 | -0.003 | 39.918 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ILE | 0 | -0.056 | -0.035 | 37.439 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | PRO | 0 | -0.004 | 0.007 | 40.610 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | ASP | -1 | -0.688 | -0.832 | 39.655 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ALA | 0 | -0.019 | -0.015 | 39.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLU | -1 | -0.791 | -0.865 | 39.495 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ALA | 0 | 0.013 | 0.009 | 35.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | LEU | 0 | -0.041 | -0.041 | 35.972 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ASP | -1 | -0.952 | -0.960 | 37.111 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ILE | 0 | 0.020 | 0.005 | 33.520 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | -0.035 | -0.011 | 30.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | PHE | 0 | -0.042 | -0.043 | 32.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ALA | 0 | 0.039 | 0.025 | 34.957 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | LEU | 0 | 0.027 | 0.015 | 28.379 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | VAL | 0 | -0.057 | -0.025 | 30.292 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | GLU | -1 | -0.959 | -0.990 | 31.281 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | GLU | -1 | -0.811 | -0.894 | 33.365 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLU | -1 | -0.811 | -0.885 | 28.744 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | GLY | 0 | -0.009 | 0.018 | 27.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | LEU | 0 | -0.041 | -0.015 | 23.510 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | CYS | 0 | 0.015 | 0.017 | 26.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | LEU | 0 | 0.004 | 0.004 | 24.671 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLY | 0 | 0.053 | 0.021 | 27.470 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLY | 0 | 0.044 | 0.001 | 29.328 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | SER | 0 | -0.008 | -0.037 | 28.948 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | SER | 0 | 0.059 | 0.025 | 27.504 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | GLY | 0 | 0.058 | 0.039 | 29.666 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ILE | 0 | -0.015 | -0.012 | 33.113 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASN | 0 | -0.012 | -0.022 | 28.239 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ILE | 0 | 0.022 | 0.015 | 29.043 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | ALA | 0 | 0.019 | 0.015 | 32.393 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | GLY | 0 | -0.001 | -0.010 | 35.158 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | ALA | 0 | -0.008 | -0.007 | 31.763 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ILE | 0 | 0.011 | 0.006 | 33.807 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | ARG | 1 | 0.784 | 0.869 | 36.579 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | LEU | 0 | 0.050 | 0.032 | 33.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ALA | 0 | 0.015 | 0.002 | 35.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | LYS | 1 | 0.911 | 0.951 | 37.136 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ASP | -1 | -0.862 | -0.889 | 40.496 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | -0.072 | -0.030 | 35.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | GLY | 0 | -0.008 | 0.004 | 39.918 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | PRO | 0 | -0.006 | -0.010 | 38.968 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | GLY | 0 | -0.016 | -0.020 | 36.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | HIS | 1 | 0.830 | 0.912 | 34.836 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | THR | 0 | 0.003 | 0.005 | 28.222 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | ILE | 0 | -0.034 | -0.019 | 30.863 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | VAL | 0 | 0.009 | 0.005 | 24.602 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | THR | 0 | 0.010 | -0.021 | 27.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | VAL | 0 | -0.030 | -0.015 | 23.459 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | LEU | 0 | 0.022 | 0.028 | 23.299 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | CYS | 0 | -0.029 | -0.001 | 22.998 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | ASP | -1 | -0.729 | -0.860 | 23.054 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | TYR | 0 | 0.066 | 0.042 | 18.581 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | GLY | 0 | 0.009 | -0.009 | 25.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | ASN | 0 | -0.001 | -0.015 | 24.102 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | ARG | 1 | 0.851 | 0.940 | 22.049 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | TYR | 0 | -0.049 | -0.064 | 28.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLN | 0 | 0.051 | 0.041 | 31.460 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | SER | 0 | -0.073 | -0.071 | 33.235 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LYS | 1 | 0.811 | 0.904 | 35.786 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | LEU | 0 | 0.030 | 0.011 | 32.478 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | PHE | 0 | 0.016 | 0.021 | 31.385 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ASN | 0 | 0.028 | 0.025 | 36.168 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | PRO | 0 | 0.066 | 0.020 | 39.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ALA | 0 | -0.021 | -0.004 | 42.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | PHE | 0 | 0.010 | -0.003 | 40.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | LEU | 0 | -0.016 | -0.004 | 38.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | ARG | 1 | 0.968 | 0.981 | 42.979 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | GLY | 0 | -0.004 | 0.014 | 46.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | LYS | 1 | 0.887 | 0.948 | 43.180 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | SER | 0 | -0.044 | -0.013 | 46.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | LEU | 0 | -0.024 | -0.011 | 41.315 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | PRO | 0 | 0.000 | 0.006 | 41.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | VAL | 0 | -0.015 | -0.013 | 41.358 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | PRO | 0 | 0.001 | 0.007 | 37.282 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | ARG | 1 | 0.995 | 0.991 | 39.378 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | TRP | 0 | 0.049 | 0.030 | 34.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | LEU | 0 | -0.056 | -0.014 | 36.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | GLU | -1 | -1.048 | -1.019 | 40.392 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |