![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: M34KZ
Calculation Name: 3LZC-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LZC
Chain ID: A
UniProt ID: O58832
Base Structure: X-ray
Registration Date: 2023-06-19
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 | 342 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5313421.254289 |
---|---|
FMO2-HF: Nuclear repulsion | 5180388.758503 |
FMO2-HF: Total energy | -133032.495787 |
FMO2-MP2: Total energy | -133426.410235 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F021180/ligand_interaction/ligand_F021180.png)
Ligand Interaction
![ligand interaction](./Kdata/F021180/ligand_interaction/ligand_interaction_F021180.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. |
-15.467 | -9.322 | 1.64 | -3.579 | -4.206 | -0.038 |
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 | HIS | 0 | -0.070 | -0.055 | 3.293 | -0.518 | 1.806 | 0.044 | -0.905 | -1.463 | -0.001 |
4 | A | 4 | GLU | -1 | -0.887 | -0.942 | 2.351 | -15.275 | -11.681 | 1.598 | -2.656 | -2.536 | -0.037 |
5 | A | 5 | ILE | 0 | 0.010 | 0.003 | 5.586 | -0.636 | -0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | PRO | 0 | 0.043 | 0.028 | 4.520 | 0.103 | 0.228 | -0.001 | -0.016 | -0.108 | 0.000 |
7 | A | 7 | LYS | 1 | 0.854 | 0.907 | 6.247 | 1.801 | 1.801 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | SER | 0 | 0.056 | 0.020 | 8.037 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | GLU | -1 | -0.886 | -0.928 | 4.870 | -1.983 | -1.881 | -0.001 | -0.002 | -0.099 | 0.000 |
10 | A | 10 | ILE | 0 | 0.002 | -0.005 | 8.707 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | 0.019 | 0.014 | 11.220 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | LYS | 1 | 0.839 | 0.920 | 8.469 | 1.301 | 1.301 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLU | -1 | -0.799 | -0.879 | 11.765 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | LEU | 0 | -0.003 | 0.007 | 14.566 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LYS | 1 | 0.899 | 0.948 | 16.629 | 0.587 | 0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ARG | 1 | 0.767 | 0.855 | 13.368 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ILE | 0 | -0.041 | -0.027 | 18.774 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | -0.005 | 0.017 | 20.835 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ALA | 0 | -0.061 | -0.026 | 20.265 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LYS | 1 | 0.882 | 0.933 | 21.711 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ARG | 1 | 0.787 | 0.872 | 23.925 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | VAL | 0 | -0.003 | 0.004 | 18.771 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | LEU | 0 | 0.005 | 0.014 | 22.023 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ILE | 0 | 0.015 | 0.005 | 16.892 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLN | 0 | 0.032 | 0.014 | 19.763 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | SER | 0 | 0.045 | 0.016 | 18.333 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PRO | 0 | -0.010 | 0.002 | 17.612 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLU | -1 | -0.824 | -0.913 | 19.850 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | GLY | 0 | -0.039 | -0.023 | 18.298 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | -0.002 | 0.011 | 13.264 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ARG | 1 | 0.813 | 0.906 | 16.713 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ARG | 1 | 0.999 | 0.992 | 17.672 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLU | -1 | -0.842 | -0.928 | 12.794 | -0.655 | -0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ALA | 0 | -0.039 | -0.033 | 14.721 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLU | -1 | -0.891 | -0.941 | 16.885 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLU | -1 | -0.823 | -0.873 | 13.258 | -0.876 | -0.876 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | -0.069 | -0.043 | 12.074 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ALA | 0 | 0.010 | -0.003 | 14.671 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLY | 0 | 0.073 | 0.041 | 18.395 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PHE | 0 | 0.014 | 0.002 | 12.843 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.027 | -0.029 | 14.344 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLU | -1 | -0.827 | -0.907 | 17.492 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLU | -1 | -0.958 | -0.970 | 17.722 | -0.577 | -0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ASN | 0 | -0.106 | -0.058 | 16.429 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASN | 0 | -0.063 | -0.041 | 19.734 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ILE | 0 | -0.050 | -0.020 | 17.937 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | GLU | -1 | -0.808 | -0.874 | 21.863 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | -0.015 | -0.015 | 19.535 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | PHE | 0 | -0.012 | 0.005 | 22.687 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | LEU | 0 | 0.040 | 0.013 | 20.149 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | HIS | 0 | -0.019 | -0.027 | 23.032 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | GLY | 0 | 0.045 | 0.019 | 24.423 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | GLU | -1 | -0.925 | -0.952 | 27.095 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ILE | 0 | -0.016 | 0.002 | 24.119 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ASN | 0 | -0.021 | -0.011 | 21.539 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | TYR | 0 | -0.030 | -0.054 | 23.044 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLY | 0 | -0.016 | -0.018 | 21.082 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ALA | 0 | 0.048 | 0.035 | 18.861 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | CYS | 0 | -0.057 | -0.033 | 20.959 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ASP | -1 | -0.887 | -0.952 | 23.882 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PRO | 0 | 0.003 | 0.031 | 22.424 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ALA | 0 | 0.033 | 0.025 | 23.779 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASP | -1 | -0.714 | -0.853 | 24.500 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ARG | 1 | 0.902 | 0.944 | 26.082 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLU | -1 | -0.856 | -0.936 | 28.099 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ALA | 0 | 0.035 | 0.013 | 25.120 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | LYS | 1 | 0.844 | 0.915 | 27.089 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LEU | 0 | -0.053 | -0.025 | 29.758 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | VAL | 0 | -0.013 | 0.003 | 28.499 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLY | 0 | 0.019 | 0.008 | 30.261 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | CYS | 0 | -0.075 | -0.009 | 24.601 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASP | -1 | -0.799 | -0.890 | 23.568 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ALA | 0 | -0.042 | -0.034 | 20.077 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | LEU | 0 | -0.050 | -0.020 | 20.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ILE | 0 | 0.029 | 0.013 | 14.744 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | HIS | 0 | -0.029 | -0.020 | 16.660 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | 0.039 | 0.015 | 13.060 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLY | 0 | 0.014 | 0.006 | 13.815 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | HIS | 1 | 0.788 | 0.886 | 14.981 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | SER | 0 | 0.043 | 0.014 | 13.461 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | TYR | 0 | -0.011 | -0.002 | 14.978 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | MET | 0 | -0.020 | 0.015 | 17.526 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LYS | 1 | 0.855 | 0.914 | 20.885 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | -0.024 | -0.001 | 23.526 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PRO | 0 | 0.010 | 0.020 | 24.742 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | LEU | 0 | 0.000 | -0.003 | 21.402 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLU | -1 | -0.816 | -0.898 | 25.824 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | VAL | 0 | -0.004 | 0.006 | 23.544 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | PRO | 0 | 0.014 | 0.009 | 20.837 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | THR | 0 | -0.030 | -0.008 | 18.262 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ILE | 0 | 0.035 | 0.020 | 12.932 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | PHE | 0 | -0.063 | -0.030 | 14.200 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | VAL | 0 | 0.037 | 0.009 | 9.552 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | PRO | 0 | -0.030 | -0.006 | 9.518 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ALA | 0 | 0.026 | 0.024 | 9.730 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | PHE | 0 | 0.003 | -0.005 | 7.066 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ALA | 0 | 0.002 | 0.016 | 9.919 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ARG | 1 | 0.972 | 0.963 | 5.988 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | VAL | 0 | -0.042 | -0.003 | 11.132 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | SER | 0 | -0.007 | -0.007 | 14.065 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | VAL | 0 | 0.017 | -0.015 | 14.838 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | VAL | 0 | 0.028 | 0.007 | 16.948 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | GLU | -1 | -0.797 | -0.876 | 18.089 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ALA | 0 | 0.027 | 0.019 | 20.984 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | -0.020 | -0.007 | 20.938 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LYS | 1 | 0.873 | 0.920 | 20.605 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLU | -1 | -0.831 | -0.887 | 25.397 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ASN | 0 | -0.069 | -0.044 | 26.497 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ILE | 0 | 0.037 | 0.023 | 26.760 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLY | 0 | 0.012 | 0.003 | 29.414 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | GLU | -1 | -0.765 | -0.876 | 31.383 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.004 | -0.007 | 26.172 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LYS | 1 | 0.903 | 0.946 | 30.491 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | LYS | 1 | 0.779 | 0.896 | 33.004 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | LEU | 0 | -0.026 | -0.014 | 29.749 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | GLY | 0 | -0.005 | 0.014 | 33.734 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ARG | 1 | 0.898 | 0.939 | 32.299 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | LYS | 1 | 0.830 | 0.904 | 29.642 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ILE | 0 | 0.007 | 0.009 | 26.554 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ILE | 0 | -0.048 | -0.016 | 26.286 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | VAL | 0 | 0.014 | 0.026 | 21.499 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | THR | 0 | -0.043 | -0.029 | 21.748 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | THR | 0 | 0.022 | 0.000 | 16.895 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | THR | 0 | -0.001 | -0.003 | 18.527 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | 0.032 | -0.005 | 14.656 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | GLN | 0 | 0.010 | 0.018 | 13.085 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | HIS | 0 | 0.051 | 0.022 | 12.945 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ILE | 0 | 0.004 | 0.017 | 11.750 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | HIS | 0 | -0.017 | -0.017 | 8.696 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLN | 0 | 0.082 | 0.055 | 10.686 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LEU | 0 | -0.055 | -0.013 | 13.232 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | LYS | 1 | 0.843 | 0.927 | 11.255 | -1.192 | -1.192 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.783 | -0.900 | 11.342 | 1.378 | 1.378 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ALA | 0 | -0.018 | -0.003 | 15.628 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LYS | 1 | 0.809 | 0.885 | 18.351 | -0.469 | -0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | GLU | -1 | -0.922 | -0.962 | 17.734 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | PHE | 0 | 0.039 | 0.020 | 19.640 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LEU | 0 | -0.018 | -0.005 | 21.417 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | GLU | -1 | -0.796 | -0.893 | 22.649 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | SER | 0 | -0.056 | -0.011 | 23.383 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLU | -1 | -0.867 | -0.933 | 25.342 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | GLY | 0 | -0.051 | -0.029 | 27.782 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | PHE | 0 | -0.088 | -0.039 | 26.973 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | GLU | -1 | -0.780 | -0.866 | 27.769 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | VAL | 0 | -0.004 | -0.003 | 22.308 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | SER | 0 | -0.059 | -0.030 | 24.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | 0.031 | 0.000 | 19.572 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | GLY | 0 | 0.014 | 0.018 | 23.377 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ARG | 1 | 0.877 | 0.898 | 20.419 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | GLY | 0 | 0.043 | 0.026 | 21.761 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASP | -1 | -0.784 | -0.884 | 24.179 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | SER | 0 | -0.032 | -0.038 | 23.391 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ARG | 1 | 0.836 | 0.902 | 23.121 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ILE | 0 | -0.102 | -0.034 | 19.791 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | SER | 0 | 0.040 | 0.017 | 15.630 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | TRP | 0 | -0.013 | -0.014 | 11.126 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PRO | 0 | 0.015 | 0.000 | 16.709 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLY | 0 | 0.055 | 0.024 | 17.900 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | GLN | 0 | 0.016 | 0.020 | 17.353 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | VAL | 0 | -0.029 | -0.011 | 19.330 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.007 | -0.009 | 19.964 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | 0.022 | 0.011 | 23.291 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | CYS | 0 | -0.022 | -0.013 | 26.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ASN | 0 | -0.063 | -0.042 | 25.393 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | TYR | 0 | 0.081 | 0.028 | 25.446 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | SER | 0 | 0.020 | 0.000 | 25.762 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | VAL | 0 | -0.051 | -0.011 | 21.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | 0.033 | 0.008 | 24.861 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | LYS | 1 | 0.772 | 0.891 | 27.579 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | VAL | 0 | 0.027 | 0.016 | 27.340 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ARG | 1 | 0.944 | 0.968 | 30.438 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLY | 0 | 0.033 | -0.011 | 30.821 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | GLU | -1 | -0.868 | -0.922 | 32.318 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | 0.036 | 0.015 | 32.393 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ILE | 0 | -0.054 | -0.016 | 27.372 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LEU | 0 | 0.058 | 0.030 | 24.240 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PHE | 0 | -0.019 | -0.025 | 22.852 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ILE | 0 | 0.053 | 0.028 | 19.186 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | 0.001 | -0.003 | 20.411 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | SER | 0 | 0.008 | -0.011 | 21.598 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLY | 0 | -0.040 | -0.017 | 23.774 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ILE | 0 | 0.033 | 0.006 | 26.729 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | PHE | 0 | -0.014 | -0.017 | 27.956 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | HIS | 0 | 0.026 | 0.014 | 23.148 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | PRO | 0 | 0.034 | 0.035 | 26.357 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | LEU | 0 | 0.030 | 0.015 | 28.620 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | GLY | 0 | 0.021 | 0.004 | 30.251 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.009 | -0.004 | 25.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.037 | 0.033 | 30.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | VAL | 0 | -0.046 | -0.020 | 33.517 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ALA | 0 | -0.033 | -0.005 | 31.737 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | THR | 0 | -0.080 | -0.066 | 30.970 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ARG | 1 | 0.804 | 0.881 | 34.206 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | LYS | 1 | 0.869 | 0.959 | 32.359 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LYS | 1 | 0.863 | 0.918 | 34.718 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | VAL | 0 | -0.017 | -0.009 | 29.276 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | 0.005 | 0.027 | 29.176 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | -0.041 | -0.032 | 27.040 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | 0.032 | 0.005 | 24.141 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ASP | -1 | -0.739 | -0.828 | 23.246 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PRO | 0 | -0.028 | -0.017 | 18.560 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | TYR | 0 | -0.026 | -0.012 | 16.766 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | THR | 0 | -0.031 | -0.053 | 21.354 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | LYS | 1 | 0.822 | 0.902 | 23.457 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | 0.012 | 0.035 | 25.373 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | PHE | 0 | 0.008 | -0.007 | 27.365 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | SER | 0 | -0.021 | -0.016 | 29.765 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TRP | 0 | -0.016 | -0.005 | 31.605 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ILE | 0 | -0.047 | -0.022 | 30.673 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASP | -1 | -0.752 | -0.863 | 34.415 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | PRO | 0 | 0.002 | -0.012 | 36.561 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLU | -1 | -0.788 | -0.869 | 38.094 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ARG | 1 | 0.855 | 0.896 | 38.144 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | PHE | 0 | -0.059 | -0.026 | 36.418 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ILE | 0 | 0.064 | 0.015 | 39.548 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ARG | 1 | 0.902 | 0.945 | 41.677 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LYS | 1 | 0.927 | 0.961 | 40.043 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ARG | 1 | 0.776 | 0.865 | 39.156 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | TRP | 0 | 0.064 | 0.034 | 43.034 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ALA | 0 | 0.002 | 0.009 | 46.567 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLN | 0 | -0.038 | -0.023 | 43.067 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ILE | 0 | 0.030 | 0.007 | 44.507 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | 0.000 | 0.004 | 47.682 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LYS | 1 | 0.935 | 0.967 | 47.670 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ALA | 0 | -0.012 | 0.000 | 48.412 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | MET | 0 | -0.022 | -0.019 | 50.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASP | -1 | -0.868 | -0.927 | 53.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ALA | 0 | -0.064 | -0.015 | 52.067 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | LYS | 1 | 0.852 | 0.886 | 54.056 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LYS | 1 | 0.783 | 0.901 | 53.373 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | PHE | 0 | 0.035 | 0.008 | 47.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLY | 0 | 0.005 | 0.008 | 46.626 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | VAL | 0 | -0.046 | -0.033 | 42.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ILE | 0 | 0.013 | 0.004 | 38.692 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | VAL | 0 | -0.002 | 0.003 | 37.660 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | SER | 0 | -0.010 | -0.024 | 33.228 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ILE | 0 | 0.015 | -0.016 | 33.989 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.802 | 0.905 | 28.954 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | LYS | 1 | 0.828 | 0.883 | 27.501 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLY | 0 | 0.026 | 0.015 | 26.999 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLN | 0 | -0.054 | -0.052 | 28.040 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | LEU | 0 | -0.002 | 0.023 | 30.890 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | ARG | 1 | 0.824 | 0.891 | 33.569 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | LEU | 0 | 0.048 | 0.020 | 36.389 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ALA | 0 | -0.007 | -0.009 | 39.549 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | GLU | -1 | -0.763 | -0.867 | 38.692 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ALA | 0 | 0.017 | 0.019 | 40.495 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | LYS | 1 | 0.950 | 0.950 | 42.120 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ARG | 1 | 0.753 | 0.856 | 42.179 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ILE | 0 | 0.060 | 0.030 | 42.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | VAL | 0 | -0.016 | 0.000 | 45.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LYS | 1 | 0.933 | 0.959 | 48.282 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | LEU | 0 | -0.001 | 0.002 | 47.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | LEU | 0 | 0.043 | 0.009 | 47.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | LYS | 1 | 0.937 | 0.982 | 51.395 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | LYS | 1 | 0.845 | 0.944 | 53.704 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | HIS | 0 | 0.006 | -0.003 | 53.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLY | 0 | 0.014 | 0.011 | 55.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ARG | 1 | 0.891 | 0.971 | 52.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | GLU | -1 | -0.812 | -0.898 | 54.500 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ALA | 0 | -0.026 | -0.018 | 49.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ARG | 1 | 0.916 | 0.956 | 48.362 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | -0.006 | 0.004 | 42.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | -0.029 | -0.014 | 42.795 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | VAL | 0 | 0.013 | 0.005 | 39.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | MET | 0 | -0.010 | 0.017 | 37.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASN | 0 | 0.091 | 0.045 | 31.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ASP | -1 | -0.816 | -0.890 | 31.789 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | VAL | 0 | 0.005 | -0.003 | 34.145 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | ASN | 0 | 0.001 | -0.017 | 35.837 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | TYR | 0 | 0.106 | 0.042 | 38.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | HIS | 0 | 0.011 | 0.012 | 41.154 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LYS | 1 | 0.888 | 0.938 | 36.508 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | LEU | 0 | -0.074 | -0.055 | 41.888 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLU | -1 | -0.866 | -0.922 | 45.270 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLY | 0 | 0.021 | 0.022 | 47.814 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | PHE | 0 | -0.067 | -0.027 | 45.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | PRO | 0 | -0.002 | -0.013 | 50.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PHE | 0 | -0.031 | -0.017 | 48.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | GLU | -1 | -0.672 | -0.822 | 50.755 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ALA | 0 | 0.029 | 0.014 | 47.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | TYR | 0 | -0.028 | -0.018 | 43.391 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | VAL | 0 | 0.010 | 0.012 | 41.686 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | VAL | 0 | 0.001 | 0.008 | 36.419 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | VAL | 0 | -0.020 | -0.008 | 37.675 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ALA | 0 | 0.039 | -0.003 | 33.704 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | CYS | 0 | 0.009 | 0.021 | 28.855 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | PRO | 0 | 0.035 | 0.021 | 30.881 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ARG | 1 | 0.916 | 0.930 | 26.036 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | VAL | 0 | 0.009 | 0.004 | 31.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | PRO | 0 | -0.018 | -0.006 | 34.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | -0.060 | -0.031 | 34.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | ASP | -1 | -0.856 | -0.924 | 30.861 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ASP | -1 | -0.779 | -0.880 | 34.407 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | TYR | 0 | -0.029 | -0.015 | 31.226 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | GLY | 0 | -0.036 | -0.012 | 37.598 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ALA | 0 | -0.049 | -0.019 | 38.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | TRP | 0 | -0.058 | -0.034 | 37.845 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ARG | 1 | 0.911 | 0.962 | 42.637 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | LYS | 1 | 0.870 | 0.953 | 45.785 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | PRO | 0 | 0.018 | 0.007 | 45.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | VAL | 0 | -0.002 | 0.017 | 40.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | LEU | 0 | -0.018 | -0.017 | 41.905 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | THR | 0 | -0.004 | -0.019 | 37.038 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | PRO | 0 | 0.041 | -0.004 | 38.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | LYS | 1 | 0.848 | 0.926 | 37.322 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | GLU | -1 | -0.662 | -0.789 | 40.870 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | VAL | 0 | -0.011 | 0.008 | 43.564 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | GLU | -1 | -0.790 | -0.880 | 43.672 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | ILE | 0 | 0.004 | 0.017 | 43.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | LEU | 0 | 0.006 | 0.024 | 47.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LEU | 0 | -0.123 | -0.063 | 49.857 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | GLY | 0 | 0.037 | 0.020 | 51.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | LEU | 0 | -0.060 | -0.043 | 49.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ARG | 1 | 0.751 | 0.867 | 41.909 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | GLU | -1 | -0.895 | -0.941 | 47.791 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | GLU | -1 | -0.834 | -0.891 | 44.452 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | TYR | 0 | -0.075 | -0.068 | 38.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | GLU | -1 | -0.789 | -0.884 | 38.956 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | PHE | 0 | 0.012 | 0.005 | 31.394 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | ASP | -1 | -0.825 | -0.900 | 35.542 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | GLU | -1 | -0.795 | -0.884 | 30.204 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | ILE | 0 | -0.045 | -0.024 | 29.064 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | LEU | 0 | 0.001 | 0.003 | 28.990 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | GLY | 0 | 0.009 | 0.014 | 27.710 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | GLY | 0 | 0.012 | 0.011 | 28.646 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | PRO | 0 | 0.022 | 0.000 | 27.357 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | ARG | 1 | 0.798 | 0.887 | 19.424 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLU | -1 | -0.812 | -0.893 | 23.674 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | SER | 0 | 0.005 | 0.002 | 18.623 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | ASP | -1 | -0.826 | -0.895 | 15.908 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | GLU | -1 | -0.763 | -0.857 | 13.311 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | PRO | 0 | 0.025 | 0.018 | 9.061 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | PHE | 0 | -0.014 | -0.022 | 7.255 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLY | 0 | 0.078 | 0.028 | 5.591 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | ILE | 0 | -0.031 | -0.003 | 6.560 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | SER | 0 | -0.037 | -0.030 | 9.310 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ILE | 0 | 0.030 | 0.015 | 12.491 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | HIS | 1 | 0.795 | 0.891 | 15.694 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | SER | 0 | 0.053 | 0.021 | 19.100 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | THR | 0 | -0.041 | -0.010 | 22.718 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ARG | 1 | 0.919 | 0.947 | 26.256 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |