![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: MVQ6Z
Calculation Name: 1W45-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1W45
Chain ID: A
UniProt ID: P13928
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 | 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 | 319 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4770352.858058 |
---|---|
FMO2-HF: Nuclear repulsion | 4643096.342197 |
FMO2-HF: Total energy | -127256.515861 |
FMO2-MP2: Total energy | -127623.352654 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F029795/ligand_interaction/ligand_F029795.png)
Ligand Interaction
![ligand interaction](./Kdata/F029795/ligand_interaction/ligand_interaction_F029795.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:8:ILE)
Summations of interaction energy for
fragment #1(A:8:ILE)
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. |
-7.432 | -2.881 | 17.656 | -6.422 | -15.782 | -0.034 |
Interaction energy analysis for fragmet #1(A:8:ILE)
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 | 10 | GLN | 0 | 0.003 | -0.001 | 3.867 | -0.575 | 1.830 | -0.020 | -1.174 | -1.210 | 0.002 |
4 | A | 11 | GLU | -1 | -0.740 | -0.882 | 5.167 | -0.625 | -0.481 | -0.001 | -0.002 | -0.140 | 0.000 |
5 | A | 12 | GLY | 0 | 0.054 | 0.011 | 7.254 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 13 | VAL | 0 | -0.004 | 0.012 | 9.366 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 14 | THR | 0 | -0.053 | -0.017 | 10.134 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 15 | VAL | 0 | -0.027 | -0.027 | 12.946 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | ALA | 0 | -0.028 | -0.004 | 13.284 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | SER | 0 | 0.024 | -0.008 | 8.568 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | SER | 0 | -0.049 | -0.026 | 8.411 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | SER | 0 | -0.008 | -0.019 | 9.692 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | HIS | 0 | -0.023 | -0.001 | 10.837 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 21 | PHE | 0 | 0.013 | 0.003 | 9.225 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 22 | ASN | 0 | -0.035 | -0.027 | 12.299 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 23 | PRO | 0 | 0.033 | 0.020 | 9.898 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 24 | ASP | -1 | -0.775 | -0.848 | 12.015 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 25 | PRO | 0 | 0.026 | -0.001 | 15.325 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 26 | ASP | -1 | -0.734 | -0.825 | 13.376 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 27 | ALA | 0 | -0.005 | 0.002 | 13.369 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 28 | GLU | -1 | -0.821 | -0.899 | 15.018 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 29 | THR | 0 | -0.009 | -0.018 | 17.976 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 30 | LEU | 0 | 0.005 | -0.003 | 13.608 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 31 | TYR | 0 | 0.012 | 0.017 | 17.910 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 32 | LYS | 1 | 0.767 | 0.850 | 19.972 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 33 | ALA | 0 | -0.045 | 0.000 | 20.291 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 34 | MET | 0 | 0.021 | 0.006 | 17.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 35 | LYS | 1 | 0.870 | 0.957 | 22.955 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 36 | GLY | 0 | 0.004 | -0.011 | 25.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 37 | ILE | 0 | -0.046 | -0.013 | 28.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 38 | GLY | 0 | -0.004 | -0.006 | 28.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 39 | THR | 0 | -0.004 | 0.014 | 22.862 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 40 | ASN | 0 | -0.025 | -0.007 | 23.553 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 41 | GLU | -1 | -0.794 | -0.919 | 21.496 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 42 | GLN | 0 | -0.042 | -0.026 | 20.464 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 43 | ALA | 0 | 0.009 | 0.009 | 20.070 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 44 | ILE | 0 | 0.001 | -0.002 | 16.404 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 45 | ILE | 0 | 0.008 | 0.001 | 15.802 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 46 | ASP | -1 | -0.870 | -0.914 | 15.848 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 47 | VAL | 0 | -0.035 | -0.007 | 12.500 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 48 | LEU | 0 | -0.001 | -0.012 | 10.831 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 49 | THR | 0 | -0.038 | -0.026 | 11.139 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 50 | LYS | 1 | 0.795 | 0.884 | 12.840 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 51 | ARG | 1 | 0.783 | 0.865 | 9.297 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 52 | SER | 0 | 0.097 | 0.057 | 6.092 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 53 | ASN | 0 | -0.056 | -0.044 | 3.113 | -1.719 | 0.410 | 0.273 | -0.853 | -1.548 | -0.005 |
47 | A | 54 | THR | 0 | 0.003 | -0.018 | 2.044 | -4.486 | -4.039 | 10.595 | -4.894 | -6.147 | -0.023 |
48 | A | 55 | GLN | 0 | 0.018 | 0.019 | 2.832 | 3.601 | 1.416 | 0.088 | 2.691 | -0.595 | -0.001 |
49 | A | 56 | ARG | 1 | 0.795 | 0.877 | 5.785 | 1.538 | 1.538 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 57 | GLN | 0 | -0.010 | -0.010 | 2.473 | -0.494 | 0.279 | 1.341 | -0.398 | -1.716 | -0.002 |
51 | A | 58 | GLN | 0 | -0.073 | -0.035 | 3.460 | -0.047 | 0.254 | 0.012 | -0.052 | -0.260 | 0.000 |
52 | A | 59 | ILE | 0 | 0.013 | 0.006 | 6.825 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 60 | ALA | 0 | 0.017 | 0.016 | 7.961 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 61 | LYS | 1 | 0.866 | 0.922 | 6.492 | -0.583 | -0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 62 | SER | 0 | -0.002 | -0.026 | 10.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 63 | PHE | 0 | 0.005 | -0.003 | 12.490 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 64 | LYS | 1 | 0.861 | 0.918 | 12.675 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 65 | ALA | 0 | -0.060 | -0.028 | 14.317 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 66 | GLN | 0 | -0.070 | -0.036 | 15.725 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 67 | PHE | 0 | -0.020 | -0.016 | 17.347 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 68 | GLY | 0 | -0.020 | 0.007 | 18.666 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 69 | LYS | 1 | 0.937 | 0.959 | 17.871 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 70 | ASP | -1 | -0.800 | -0.886 | 12.767 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 71 | LEU | 0 | 0.061 | 0.035 | 11.103 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 72 | THR | 0 | 0.022 | 0.007 | 11.193 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 73 | GLU | -1 | -0.828 | -0.904 | 13.192 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 74 | THR | 0 | -0.033 | -0.029 | 16.666 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 75 | LEU | 0 | -0.017 | -0.012 | 13.308 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 76 | LYS | 1 | 0.796 | 0.871 | 15.404 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 77 | SER | 0 | -0.103 | -0.040 | 18.493 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 78 | GLU | -1 | -0.883 | -0.931 | 20.900 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 79 | LEU | 0 | -0.032 | -0.001 | 17.809 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 80 | SER | 0 | 0.019 | 0.002 | 21.848 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 81 | GLY | 0 | 0.003 | -0.003 | 22.797 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 82 | LYS | 1 | 0.807 | 0.874 | 21.971 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 83 | PHE | 0 | 0.042 | 0.021 | 19.580 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 84 | GLU | -1 | -0.838 | -0.920 | 18.099 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 85 | ARG | 1 | 0.969 | 0.989 | 16.674 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 86 | LEU | 0 | -0.033 | -0.007 | 14.750 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 87 | ILE | 0 | 0.021 | 0.001 | 13.793 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 88 | VAL | 0 | 0.014 | 0.003 | 12.348 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 89 | ALA | 0 | -0.018 | -0.002 | 11.194 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 90 | LEU | 0 | -0.027 | -0.009 | 9.247 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 91 | MET | 0 | -0.024 | 0.003 | 7.649 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 92 | TYR | 0 | 0.012 | 0.026 | 6.709 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 93 | PRO | 0 | 0.020 | 0.017 | 2.497 | -1.104 | -0.253 | 0.359 | -0.270 | -0.940 | 0.000 |
87 | A | 94 | PRO | 0 | 0.018 | 0.010 | 2.210 | -0.544 | -1.087 | 5.010 | -1.427 | -3.040 | -0.005 |
88 | A | 95 | TYR | 0 | -0.015 | -0.023 | 4.717 | -0.278 | -0.049 | -0.001 | -0.043 | -0.186 | 0.000 |
89 | A | 96 | ARG | 1 | 0.799 | 0.859 | 5.891 | -0.755 | -0.755 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 97 | TYR | 0 | -0.028 | 0.004 | 7.810 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 98 | GLU | -1 | -0.760 | -0.881 | 9.442 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 99 | ALA | 0 | 0.007 | 0.017 | 10.708 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 100 | LYS | 1 | 0.844 | 0.916 | 11.968 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | GLU | -1 | -0.857 | -0.929 | 13.714 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 102 | LEU | 0 | 0.004 | 0.001 | 14.892 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 103 | HIS | 0 | 0.048 | 0.055 | 16.541 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 104 | ASP | -1 | -0.823 | -0.936 | 17.880 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 105 | ALA | 0 | -0.100 | -0.053 | 19.717 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 106 | MET | 0 | 0.039 | 0.020 | 20.201 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 107 | LYS | 1 | 0.831 | 0.941 | 20.016 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 108 | GLY | 0 | -0.012 | -0.015 | 23.566 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 109 | LEU | 0 | -0.047 | -0.026 | 26.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 110 | GLY | 0 | -0.011 | 0.005 | 28.969 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 111 | THR | 0 | 0.062 | 0.017 | 25.607 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 112 | LYS | 1 | 0.771 | 0.893 | 22.751 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 113 | GLU | -1 | -0.788 | -0.881 | 23.555 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 114 | GLY | 0 | 0.070 | 0.040 | 24.001 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 115 | VAL | 0 | -0.084 | -0.047 | 18.548 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 116 | ILE | 0 | 0.056 | 0.027 | 19.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 117 | ILE | 0 | 0.010 | 0.009 | 20.052 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 118 | GLU | -1 | -0.775 | -0.837 | 18.087 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 119 | ILE | 0 | -0.017 | 0.009 | 14.201 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 120 | LEU | 0 | 0.014 | -0.008 | 16.327 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 121 | ALA | 0 | 0.020 | 0.026 | 18.429 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 122 | SER | 0 | -0.049 | -0.055 | 16.582 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 123 | ARG | 1 | 0.734 | 0.852 | 11.223 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 124 | THR | 0 | -0.008 | -0.013 | 12.603 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 125 | LYS | 1 | 0.800 | 0.883 | 14.237 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 126 | ASN | 0 | 0.002 | -0.002 | 12.122 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 127 | GLN | 0 | 0.027 | 0.035 | 8.997 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 128 | LEU | 0 | 0.027 | 0.017 | 10.758 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 129 | ARG | 1 | 0.821 | 0.895 | 13.166 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 130 | GLU | -1 | -0.841 | -0.906 | 7.483 | 1.161 | 1.161 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 131 | ILE | 0 | -0.070 | -0.029 | 9.241 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 132 | MET | 0 | 0.006 | 0.005 | 11.223 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 133 | LYS | 1 | 0.822 | 0.914 | 8.995 | -0.933 | -0.933 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 134 | ALA | 0 | 0.000 | -0.007 | 8.755 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 135 | TYR | 0 | -0.045 | -0.058 | 10.753 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 136 | GLU | -1 | -0.861 | -0.910 | 14.051 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 137 | GLU | -1 | -0.882 | -0.929 | 10.309 | 0.771 | 0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 138 | ASP | -1 | -0.835 | -0.893 | 11.111 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 139 | TYR | 0 | -0.116 | -0.080 | 12.354 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 140 | GLY | 0 | -0.041 | 0.006 | 17.430 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 141 | SER | 0 | -0.032 | -0.035 | 19.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 142 | SER | 0 | 0.003 | -0.017 | 19.353 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 143 | LEU | 0 | -0.033 | -0.024 | 15.699 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 144 | GLU | -1 | -0.855 | -0.925 | 19.242 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 145 | GLU | -1 | -0.910 | -0.961 | 22.130 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 146 | ASP | -1 | -0.770 | -0.845 | 21.658 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 147 | ILE | 0 | -0.032 | -0.018 | 20.896 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 148 | GLN | 0 | -0.065 | -0.032 | 24.073 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 149 | ALA | 0 | -0.045 | -0.001 | 26.895 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 150 | ASP | -1 | -0.859 | -0.912 | 25.871 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 151 | THR | 0 | -0.082 | -0.050 | 26.179 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 152 | SER | 0 | 0.027 | 0.001 | 28.876 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 153 | GLY | 0 | 0.010 | 0.000 | 31.885 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 154 | TYR | 0 | 0.015 | -0.023 | 32.170 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 155 | LEU | 0 | 0.016 | 0.022 | 27.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 156 | GLU | -1 | -0.826 | -0.916 | 27.550 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 157 | ARG | 1 | 0.899 | 0.962 | 27.169 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 158 | ILE | 0 | -0.015 | -0.014 | 26.187 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 159 | LEU | 0 | -0.005 | 0.003 | 22.589 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 160 | VAL | 0 | 0.060 | 0.028 | 22.684 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 161 | CYS | 0 | -0.103 | -0.022 | 23.745 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 162 | LEU | 0 | -0.054 | -0.035 | 20.925 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 163 | LEU | 0 | -0.014 | 0.002 | 17.639 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 164 | GLN | 0 | -0.005 | -0.018 | 19.415 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 165 | GLY | 0 | -0.005 | 0.006 | 20.116 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 166 | SER | 0 | -0.038 | -0.035 | 21.085 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 167 | ARG | 1 | 0.885 | 0.937 | 17.279 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 168 | ASP | -1 | -0.791 | -0.887 | 18.129 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 169 | ASP | -1 | -0.789 | -0.868 | 19.205 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 170 | VAL | 0 | 0.023 | 0.014 | 21.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 171 | SER | 0 | 0.033 | 0.003 | 24.125 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 172 | SER | 0 | -0.091 | -0.027 | 23.715 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 173 | PHE | 0 | 0.015 | 0.017 | 25.833 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 174 | VAL | 0 | -0.011 | -0.012 | 29.371 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 175 | ASP | -1 | -0.811 | -0.896 | 32.063 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 176 | PRO | 0 | -0.019 | -0.018 | 35.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 177 | ALA | 0 | -0.009 | -0.001 | 37.781 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 178 | LEU | 0 | -0.005 | -0.003 | 33.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 179 | ALA | 0 | -0.003 | 0.000 | 34.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 180 | LEU | 0 | 0.020 | 0.005 | 36.168 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 181 | GLN | 0 | -0.058 | -0.033 | 39.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 182 | ASP | -1 | -0.724 | -0.842 | 34.466 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 183 | ALA | 0 | 0.015 | 0.006 | 37.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 184 | GLN | 0 | 0.014 | 0.008 | 38.752 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 185 | ASP | -1 | -0.846 | -0.901 | 39.521 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 186 | LEU | 0 | -0.055 | -0.033 | 34.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 187 | TYR | 0 | -0.069 | -0.050 | 39.527 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 188 | ALA | 0 | 0.003 | -0.003 | 42.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 189 | ALA | 0 | -0.026 | -0.016 | 41.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 190 | GLY | 0 | 0.004 | 0.016 | 43.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 191 | GLU | -1 | -0.929 | -0.933 | 44.625 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 192 | LYS | 1 | 0.751 | 0.865 | 43.926 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 193 | ILE | 0 | -0.016 | -0.004 | 46.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 194 | ARG | 1 | 0.883 | 0.963 | 40.081 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 195 | GLY | 0 | 0.060 | 0.032 | 40.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 196 | THR | 0 | -0.134 | -0.091 | 40.789 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 197 | ASP | -1 | -0.753 | -0.874 | 40.102 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 198 | GLU | -1 | -0.882 | -0.940 | 35.647 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 199 | MET | 0 | 0.023 | 0.012 | 32.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 200 | LYS | 1 | 0.846 | 0.924 | 34.399 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 201 | PHE | 0 | 0.039 | 0.012 | 33.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 202 | ILE | 0 | 0.007 | 0.008 | 29.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 203 | THR | 0 | -0.012 | -0.028 | 29.920 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 204 | ILE | 0 | -0.035 | 0.010 | 30.575 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 205 | LEU | 0 | -0.008 | -0.013 | 28.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 207 | THR | 0 | -0.062 | -0.052 | 25.620 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 208 | ARG | 1 | 0.776 | 0.859 | 27.197 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 209 | SER | 0 | 0.058 | 0.030 | 24.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 210 | ALA | 0 | 0.066 | 0.022 | 22.831 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 211 | THR | 0 | -0.017 | -0.034 | 24.875 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 212 | HIS | 0 | -0.031 | -0.017 | 27.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 213 | LEU | 0 | -0.003 | 0.005 | 26.246 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 214 | LEU | 0 | -0.003 | 0.004 | 26.404 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 215 | ARG | 1 | 0.840 | 0.919 | 30.190 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 216 | VAL | 0 | -0.002 | -0.001 | 32.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 217 | PHE | 0 | 0.011 | -0.013 | 28.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 218 | GLU | -1 | -0.867 | -0.914 | 34.367 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 219 | GLU | -1 | -0.804 | -0.901 | 36.399 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 220 | TYR | 0 | -0.013 | -0.023 | 37.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 221 | GLU | -1 | -0.932 | -0.968 | 37.694 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 222 | LYS | 1 | 0.722 | 0.844 | 39.720 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 223 | ILE | 0 | -0.047 | -0.009 | 41.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 224 | ALA | 0 | 0.007 | 0.006 | 41.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 225 | ASN | 0 | -0.104 | -0.046 | 43.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 226 | LYS | 1 | 0.841 | 0.927 | 40.861 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 227 | SER | 0 | 0.048 | 0.015 | 36.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 228 | ILE | 0 | 0.007 | -0.008 | 32.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 229 | GLU | -1 | -0.813 | -0.910 | 32.276 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 230 | ASP | -1 | -0.814 | -0.872 | 34.799 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 231 | SER | 0 | -0.012 | -0.014 | 38.059 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 232 | ILE | 0 | -0.028 | 0.000 | 32.735 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 233 | LYS | 1 | 0.887 | 0.939 | 35.840 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 234 | SER | 0 | -0.054 | -0.027 | 38.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 235 | GLU | -1 | -0.813 | -0.905 | 38.943 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 236 | THR | 0 | -0.044 | -0.019 | 35.039 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 237 | HIS | 0 | 0.011 | -0.001 | 36.175 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 238 | GLY | 0 | 0.024 | 0.020 | 34.482 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 239 | SER | 0 | 0.007 | -0.029 | 29.136 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 240 | LEU | 0 | 0.010 | 0.007 | 29.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 241 | GLU | -1 | -0.867 | -0.940 | 30.708 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 242 | GLU | -1 | -0.879 | -0.932 | 26.106 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 243 | ALA | 0 | 0.010 | 0.005 | 26.119 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 244 | MET | 0 | -0.002 | 0.005 | 26.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 245 | LEU | 0 | 0.016 | -0.002 | 28.642 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 246 | THR | 0 | -0.043 | -0.010 | 22.824 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 247 | VAL | 0 | 0.026 | 0.020 | 23.834 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 248 | VAL | 0 | -0.015 | 0.015 | 25.083 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 249 | LYS | 1 | 0.881 | 0.918 | 25.515 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 250 | CYS | 0 | -0.095 | -0.052 | 20.882 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 251 | THR | 0 | -0.061 | -0.031 | 21.967 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 252 | GLN | 0 | -0.076 | -0.048 | 24.395 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 253 | ASN | 0 | -0.048 | -0.047 | 22.939 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 254 | LEU | 0 | 0.085 | 0.056 | 16.093 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 255 | HIS | 0 | -0.036 | -0.036 | 16.999 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 256 | SER | 0 | -0.033 | -0.032 | 20.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 257 | TYR | 0 | 0.052 | 0.018 | 20.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 258 | PHE | 0 | 0.028 | 0.001 | 15.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 259 | ALA | 0 | -0.017 | -0.007 | 20.231 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 260 | GLU | -1 | -0.823 | -0.894 | 22.777 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 261 | ARG | 1 | 0.787 | 0.868 | 21.028 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 262 | LEU | 0 | -0.024 | -0.010 | 18.377 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 263 | TYR | 0 | 0.016 | 0.021 | 22.282 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 264 | TYR | 0 | 0.025 | -0.019 | 26.064 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 265 | ALA | 0 | -0.048 | -0.004 | 23.060 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 266 | MET | 0 | -0.048 | -0.027 | 23.918 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 267 | LYS | 1 | 0.896 | 0.959 | 27.676 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 268 | GLY | 0 | -0.015 | 0.004 | 30.699 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 269 | ALA | 0 | 0.006 | -0.004 | 33.060 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 270 | GLY | 0 | -0.021 | 0.006 | 31.485 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 271 | THR | 0 | 0.041 | 0.019 | 25.258 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 272 | ARG | 1 | 0.902 | 0.950 | 24.137 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 273 | ASP | -1 | -0.732 | -0.855 | 21.689 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 274 | GLY | 0 | -0.022 | 0.000 | 19.256 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 275 | THR | 0 | 0.031 | 0.015 | 18.105 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 276 | LEU | 0 | -0.001 | 0.006 | 18.535 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 277 | ILE | 0 | -0.008 | -0.007 | 14.866 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 278 | ARG | 1 | 0.849 | 0.914 | 13.646 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 279 | ASN | 0 | -0.056 | -0.046 | 13.442 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 280 | ILE | 0 | -0.008 | 0.007 | 14.838 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 281 | VAL | 0 | 0.016 | 0.010 | 9.850 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 282 | SER | 0 | 0.008 | 0.004 | 9.094 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 283 | ARG | 1 | 0.879 | 0.913 | 10.127 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 284 | SER | 0 | -0.090 | -0.056 | 10.204 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 285 | GLU | -1 | -0.840 | -0.918 | 5.763 | -2.989 | -2.989 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 286 | ILE | 0 | -0.018 | 0.011 | 8.589 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 287 | ASP | -1 | -0.750 | -0.854 | 10.839 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 288 | LEU | 0 | 0.044 | 0.040 | 14.086 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 289 | ASN | 0 | 0.003 | -0.010 | 16.058 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 290 | LEU | 0 | 0.018 | 0.010 | 17.319 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 291 | ILE | 0 | 0.009 | 0.020 | 16.192 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 292 | LYS | 1 | 0.816 | 0.901 | 19.012 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 293 | CYS | 0 | -0.062 | -0.019 | 22.081 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 294 | HIS | 0 | 0.000 | -0.007 | 22.303 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 295 | PHE | 0 | 0.050 | 0.010 | 23.652 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 296 | LYS | 1 | 0.914 | 0.955 | 25.619 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 297 | LYS | 1 | 0.887 | 0.944 | 27.752 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 298 | MET | 0 | -0.048 | 0.004 | 26.874 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 299 | TYR | 0 | 0.028 | 0.011 | 26.454 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 300 | GLY | 0 | -0.011 | 0.023 | 31.165 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 301 | LYS | 1 | 0.765 | 0.847 | 30.089 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 302 | THR | 0 | -0.021 | -0.018 | 26.550 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 303 | LEU | 0 | 0.046 | 0.020 | 19.943 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 304 | SER | 0 | 0.003 | -0.037 | 24.064 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 305 | SER | 0 | -0.065 | -0.029 | 24.963 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 306 | MET | 0 | 0.048 | 0.032 | 26.340 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 307 | ILE | 0 | 0.018 | 0.013 | 21.866 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 308 | MET | 0 | -0.026 | -0.016 | 25.317 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 309 | GLU | -1 | -0.804 | -0.846 | 28.228 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 310 | ASP | -1 | -0.866 | -0.932 | 27.761 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 311 | THR | 0 | -0.071 | -0.052 | 23.946 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 312 | SER | 0 | -0.034 | -0.038 | 26.651 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 313 | GLY | 0 | 0.050 | 0.018 | 26.085 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 314 | ASP | -1 | -0.821 | -0.921 | 22.632 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 315 | TYR | 0 | -0.037 | -0.040 | 19.675 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 316 | LYS | 1 | 0.834 | 0.931 | 21.253 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 317 | ASN | 0 | -0.003 | 0.000 | 22.478 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 318 | ALA | 0 | 0.039 | 0.016 | 17.415 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 319 | LEU | 0 | 0.013 | 0.003 | 17.445 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 320 | LEU | 0 | -0.007 | -0.010 | 18.889 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 321 | SER | 0 | -0.019 | -0.004 | 17.124 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 322 | LEU | 0 | -0.020 | -0.007 | 12.617 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 323 | VAL | 0 | -0.007 | 0.010 | 15.810 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 324 | GLY | 0 | 0.037 | 0.034 | 18.496 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 325 | SER | 0 | -0.035 | -0.027 | 19.321 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 326 | ASP | -1 | -0.740 | -0.852 | 22.086 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 327 | PRO | 0 | -0.010 | 0.011 | 24.228 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |