![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 6N1QZ
Calculation Name: 3R64-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3R64
Chain ID: A
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 | OptH |
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 | 468 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8077969.019673 |
---|---|
FMO2-HF: Nuclear repulsion | 7906112.402623 |
FMO2-HF: Total energy | -171856.617049 |
FMO2-MP2: Total energy | -172367.982028 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030152/ligand_interaction/ligand_F030152.png)
Ligand Interaction
![ligand interaction](./Kdata/F030152/ligand_interaction/ligand_interaction_F030152.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:6:THR)
Summations of interaction energy for
fragment #1(A:6:THR)
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. |
-9.043 | -2.947 | 8.825 | -7.348 | -7.573 | -0.039 |
Interaction energy analysis for fragmet #1(A:6:THR)
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 | 8 | ALA | 0 | 0.029 | 0.020 | 3.467 | 0.411 | 2.146 | -0.026 | -0.591 | -1.119 | -0.003 |
4 | A | 9 | GLY | 0 | -0.031 | -0.024 | 3.407 | 0.450 | 0.745 | 0.012 | -0.087 | -0.220 | 0.000 |
5 | A | 10 | ILE | 0 | -0.002 | 0.013 | 3.575 | 0.171 | 0.630 | 0.008 | -0.146 | -0.320 | -0.001 |
6 | A | 11 | ASP | -1 | -0.828 | -0.936 | 1.887 | 0.562 | 3.195 | 5.865 | -5.592 | -2.907 | -0.037 |
7 | A | 12 | ALA | 0 | 0.034 | -0.003 | 1.990 | -3.221 | -3.863 | 2.609 | -0.190 | -1.776 | -0.001 |
8 | A | 13 | THR | 0 | -0.012 | 0.000 | 4.067 | -2.222 | -1.912 | 0.008 | -0.099 | -0.219 | 0.000 |
9 | A | 14 | LYS | 1 | 0.844 | 0.946 | 6.369 | -3.230 | -3.230 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 15 | HIS | 0 | 0.041 | 0.002 | 8.462 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 16 | LEU | 0 | -0.017 | 0.023 | 11.310 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 17 | ILE | 0 | 0.075 | 0.023 | 12.724 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 18 | GLY | 0 | 0.000 | -0.008 | 16.246 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 19 | GLY | 0 | -0.029 | -0.031 | 16.208 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 20 | GLN | 0 | -0.066 | -0.030 | 13.717 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 21 | TRP | 0 | -0.007 | -0.006 | 8.556 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 22 | VAL | 0 | -0.052 | -0.037 | 10.884 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 23 | GLU | -1 | -0.926 | -0.969 | 11.177 | 1.546 | 1.546 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 24 | GLY | 0 | -0.039 | -0.004 | 12.584 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 25 | ASN | 0 | 0.014 | -0.005 | 14.998 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 26 | SER | 0 | -0.077 | -0.015 | 18.352 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 27 | ASP | -1 | -0.891 | -0.971 | 18.755 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 28 | ARG | 1 | 0.883 | 0.963 | 19.034 | -0.444 | -0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 29 | ILE | 0 | 0.013 | 0.005 | 13.666 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 30 | SER | 0 | -0.029 | -0.019 | 13.281 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 31 | THR | 0 | -0.016 | -0.011 | 12.399 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 32 | ASN | 0 | 0.000 | -0.017 | 8.861 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 33 | ILE | 0 | 0.004 | 0.010 | 11.503 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 34 | ASN | 0 | -0.017 | 0.010 | 11.650 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 35 | PRO | 0 | 0.017 | 0.009 | 13.353 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 36 | TYR | 0 | 0.012 | -0.016 | 16.013 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 37 | ASP | -1 | -0.860 | -0.871 | 14.998 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 38 | ASP | -1 | -0.856 | -0.938 | 16.432 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 39 | SER | 0 | -0.119 | -0.111 | 12.023 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 40 | VAL | 0 | -0.001 | 0.006 | 10.428 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 41 | ILE | 0 | -0.098 | -0.035 | 6.307 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 42 | ALA | 0 | -0.018 | -0.020 | 5.414 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 43 | GLU | -1 | -0.918 | -0.948 | 7.517 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 44 | SER | 0 | -0.029 | -0.014 | 8.534 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 45 | LYS | 1 | 0.899 | 0.961 | 10.501 | -0.961 | -0.961 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 46 | GLN | 0 | 0.018 | 0.002 | 13.007 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 47 | ALA | 0 | -0.002 | 0.006 | 15.355 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 48 | SER | 0 | -0.020 | 0.006 | 17.223 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 49 | ILE | 0 | 0.018 | -0.013 | 20.949 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 50 | ALA | 0 | 0.027 | 0.010 | 22.694 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 51 | ASP | -1 | -0.784 | -0.907 | 17.950 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 52 | VAL | 0 | -0.031 | -0.016 | 19.789 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 53 | ASP | -1 | -0.840 | -0.907 | 21.544 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 54 | ALA | 0 | -0.013 | 0.006 | 20.602 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 55 | ALA | 0 | 0.002 | 0.001 | 18.749 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 56 | TYR | 0 | 0.031 | -0.006 | 20.444 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 57 | GLU | -1 | -0.909 | -0.956 | 23.808 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 58 | ALA | 0 | -0.082 | -0.044 | 21.391 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 59 | ALA | 0 | 0.091 | 0.034 | 21.914 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 60 | LYS | 1 | 0.909 | 0.951 | 23.479 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 61 | LYS | 1 | 0.788 | 0.910 | 22.890 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 62 | ALA | 0 | 0.018 | 0.002 | 23.864 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 63 | GLN | 0 | -0.054 | -0.006 | 25.862 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 64 | ALA | 0 | -0.013 | -0.014 | 27.154 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 65 | GLU | -1 | -0.928 | -0.956 | 27.953 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 66 | TRP | 0 | 0.032 | 0.020 | 23.290 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 67 | ALA | 0 | -0.043 | -0.030 | 27.268 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 68 | ALA | 0 | -0.090 | -0.040 | 30.099 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 69 | THR | 0 | -0.005 | 0.015 | 27.095 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 70 | PRO | 0 | -0.019 | -0.014 | 30.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 71 | ALA | 0 | 0.036 | 0.011 | 30.117 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 72 | ALA | 0 | 0.012 | -0.009 | 29.940 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 73 | GLU | -1 | -0.890 | -0.952 | 26.694 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 74 | ARG | 1 | 0.873 | 0.938 | 25.574 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 75 | SER | 0 | -0.072 | -0.030 | 25.049 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 76 | ALA | 0 | 0.011 | -0.006 | 25.314 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 77 | ILE | 0 | -0.016 | 0.004 | 20.144 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 78 | ILE | 0 | -0.033 | -0.010 | 20.588 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 79 | TYR | 0 | -0.033 | -0.022 | 21.450 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 80 | ARG | 1 | 0.929 | 0.980 | 16.141 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 81 | ALA | 0 | 0.031 | 0.014 | 16.906 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 82 | ALA | 0 | -0.010 | -0.005 | 16.947 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 83 | GLU | -1 | -0.904 | -0.965 | 18.211 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 84 | LEU | 0 | 0.007 | 0.013 | 12.801 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 85 | LEU | 0 | -0.064 | -0.028 | 13.304 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 86 | GLU | -1 | -0.905 | -0.951 | 14.422 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 87 | GLU | -1 | -0.930 | -0.953 | 13.164 | -0.584 | -0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 88 | HIS | 1 | 0.775 | 0.886 | 8.414 | 1.040 | 1.040 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 89 | ARG | 1 | 0.890 | 0.941 | 10.681 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 90 | GLU | -1 | -0.877 | -0.952 | 11.486 | -0.706 | -0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 91 | GLU | -1 | -0.871 | -0.937 | 4.178 | -4.704 | -4.595 | -0.001 | -0.043 | -0.066 | 0.000 |
87 | A | 92 | ILE | 0 | -0.007 | -0.007 | 8.578 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 93 | VAL | 0 | 0.002 | 0.002 | 10.458 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 94 | GLU | -1 | -0.832 | -0.921 | 8.747 | -0.737 | -0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 95 | TRP | 0 | -0.064 | -0.038 | 2.536 | -0.255 | 0.942 | 0.350 | -0.600 | -0.946 | 0.003 |
91 | A | 96 | LEU | 0 | -0.026 | -0.014 | 8.674 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 97 | ILE | 0 | -0.041 | -0.003 | 12.241 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 98 | LYS | 1 | 0.884 | 0.945 | 5.300 | 1.116 | 1.116 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 99 | GLU | -1 | -0.716 | -0.869 | 9.032 | 1.277 | 1.277 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 100 | SER | 0 | -0.068 | -0.038 | 10.983 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 101 | GLY | 0 | 0.067 | 0.044 | 13.735 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 102 | SER | 0 | -0.015 | -0.006 | 15.121 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 103 | THR | 0 | 0.014 | -0.009 | 16.599 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 104 | ARG | 1 | 0.895 | 0.958 | 14.468 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 105 | SER | 0 | 0.029 | 0.004 | 18.152 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 106 | LYS | 1 | 0.925 | 0.982 | 19.915 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 107 | ALA | 0 | 0.023 | 0.003 | 15.201 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 108 | ASN | 0 | 0.013 | -0.015 | 17.273 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 109 | LEU | 0 | -0.009 | 0.015 | 18.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 110 | GLU | -1 | -0.789 | -0.922 | 17.339 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 111 | ILE | 0 | 0.042 | 0.024 | 14.265 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 112 | THR | 0 | 0.000 | 0.017 | 18.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 113 | LEU | 0 | -0.041 | -0.017 | 21.321 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 114 | ALA | 0 | -0.024 | -0.015 | 18.294 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 115 | GLY | 0 | 0.056 | 0.025 | 20.156 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 116 | ASN | 0 | -0.031 | -0.045 | 20.775 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 117 | ILE | 0 | 0.015 | 0.011 | 23.044 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 118 | THR | 0 | 0.015 | 0.018 | 19.964 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 119 | LYS | 1 | 0.995 | 0.999 | 23.026 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 120 | GLU | -1 | -0.933 | -0.967 | 24.955 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 121 | SER | 0 | -0.003 | -0.021 | 24.879 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 122 | ALA | 0 | -0.007 | 0.002 | 25.107 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 123 | SER | 0 | -0.031 | -0.012 | 26.809 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 124 | PHE | 0 | -0.033 | -0.007 | 29.140 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 125 | PRO | 0 | -0.020 | 0.010 | 28.480 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 126 | GLY | 0 | -0.033 | -0.019 | 31.419 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 127 | ARG | 1 | 0.894 | 0.959 | 33.184 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 128 | VAL | 0 | -0.003 | 0.022 | 32.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 129 | HIS | 0 | -0.061 | -0.026 | 35.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 130 | GLY | 0 | 0.041 | 0.021 | 39.595 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 131 | ARG | 1 | 0.925 | 0.949 | 42.080 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 132 | ILE | 0 | 0.018 | 0.011 | 45.819 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 133 | SER | 0 | -0.028 | -0.008 | 49.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 134 | PRO | 0 | 0.035 | 0.016 | 51.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 135 | SER | 0 | -0.039 | -0.023 | 55.085 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 136 | ASN | 0 | 0.059 | 0.021 | 57.113 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 137 | THR | 0 | -0.064 | -0.035 | 58.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 138 | PRO | 0 | 0.080 | 0.035 | 60.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 139 | GLY | 0 | 0.066 | 0.033 | 60.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 140 | LYS | 1 | 0.864 | 0.961 | 53.975 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 141 | GLU | -1 | -0.808 | -0.904 | 51.132 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 142 | ASN | 0 | -0.015 | -0.004 | 50.916 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 143 | ARG | 1 | 0.993 | 1.014 | 46.569 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 144 | VAL | 0 | 0.006 | 0.003 | 43.454 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 145 | TYR | 0 | 0.017 | 0.007 | 40.331 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 146 | ARG | 1 | 0.933 | 0.975 | 36.562 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 147 | VAL | 0 | -0.071 | -0.039 | 35.340 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 148 | ALA | 0 | 0.101 | 0.054 | 30.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 149 | LYS | 1 | 0.933 | 0.940 | 30.378 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 150 | GLY | 0 | -0.078 | -0.031 | 29.978 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 151 | VAL | 0 | 0.007 | 0.009 | 24.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 152 | VAL | 0 | -0.016 | -0.016 | 24.862 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 153 | GLY | 0 | 0.024 | 0.024 | 22.790 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 154 | VAL | 0 | -0.010 | -0.021 | 20.456 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 155 | ILE | 0 | -0.048 | -0.022 | 20.289 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 156 | SER | 0 | -0.038 | -0.024 | 16.697 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 157 | PRO | 0 | -0.029 | -0.010 | 19.542 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 158 | TRP | 0 | 0.076 | 0.017 | 17.228 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 159 | ASN | 0 | -0.026 | 0.010 | 17.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 160 | PHE | 0 | 0.042 | 0.002 | 18.719 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 161 | PRO | 0 | 0.025 | 0.034 | 14.716 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 162 | LEU | 0 | 0.051 | 0.030 | 13.622 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 163 | ASN | 0 | -0.027 | -0.022 | 16.165 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 164 | LEU | 0 | -0.017 | -0.022 | 19.810 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 165 | SER | 0 | 0.004 | 0.014 | 16.843 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 166 | ILE | 0 | -0.005 | 0.005 | 16.223 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 167 | ARG | 1 | 0.921 | 0.968 | 19.699 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 168 | SER | 0 | 0.030 | 0.010 | 22.510 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 169 | VAL | 0 | -0.018 | -0.023 | 17.802 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 170 | ALA | 0 | 0.009 | 0.003 | 21.083 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 171 | PRO | 0 | -0.009 | 0.014 | 22.204 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 172 | ALA | 0 | 0.022 | 0.009 | 23.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 173 | LEU | 0 | -0.002 | 0.000 | 19.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 174 | ALA | 0 | 0.035 | 0.022 | 23.749 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 175 | VAL | 0 | -0.025 | -0.012 | 26.002 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 176 | GLY | 0 | -0.030 | -0.007 | 27.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 177 | ASN | 0 | -0.053 | -0.033 | 25.894 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 178 | ALA | 0 | 0.035 | 0.029 | 23.162 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 179 | VAL | 0 | -0.008 | -0.023 | 19.588 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 180 | VAL | 0 | 0.006 | 0.008 | 18.639 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 181 | ILE | 0 | 0.015 | 0.010 | 15.110 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 182 | LYS | 1 | 0.917 | 0.967 | 16.945 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 183 | PRO | 0 | -0.029 | -0.010 | 13.581 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 184 | ALA | 0 | 0.014 | 0.011 | 16.585 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 185 | SER | 0 | -0.026 | -0.033 | 15.428 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 186 | ASP | -1 | -0.901 | -0.940 | 14.851 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 187 | THR | 0 | -0.027 | -0.012 | 12.317 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 188 | PRO | 0 | 0.000 | 0.010 | 9.857 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 189 | VAL | 0 | 0.049 | 0.003 | 6.143 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 190 | THR | 0 | -0.059 | -0.040 | 8.922 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 191 | GLY | 0 | 0.031 | 0.016 | 11.111 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 192 | GLY | 0 | -0.002 | -0.017 | 12.035 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 193 | VAL | 0 | 0.014 | 0.031 | 5.814 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 194 | ILE | 0 | 0.007 | 0.003 | 8.111 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 195 | PRO | 0 | -0.002 | -0.001 | 9.709 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 196 | ALA | 0 | 0.039 | 0.015 | 11.670 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 197 | ARG | 1 | 0.841 | 0.924 | 7.130 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 198 | ILE | 0 | -0.047 | -0.008 | 10.585 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 199 | PHE | 0 | -0.001 | -0.013 | 12.480 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 200 | GLU | -1 | -0.848 | -0.904 | 11.075 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 201 | GLU | -1 | -0.945 | -0.971 | 10.388 | -0.732 | -0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 202 | ALA | 0 | -0.016 | -0.015 | 13.357 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 203 | GLY | 0 | -0.031 | -0.013 | 16.651 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 204 | VAL | 0 | -0.031 | -0.001 | 17.796 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 205 | PRO | 0 | -0.009 | -0.012 | 18.329 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 206 | ALA | 0 | 0.050 | 0.026 | 18.297 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 207 | GLY | 0 | -0.035 | -0.024 | 18.434 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 208 | VAL | 0 | -0.023 | -0.011 | 20.222 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 209 | ILE | 0 | 0.047 | 0.038 | 15.418 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 210 | SER | 0 | -0.042 | -0.022 | 15.447 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 211 | THR | 0 | -0.037 | -0.019 | 12.081 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 212 | VAL | 0 | 0.028 | 0.024 | 13.541 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 213 | ALA | 0 | 0.053 | 0.020 | 13.045 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 214 | GLY | 0 | 0.045 | 0.006 | 15.057 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 215 | ALA | 0 | 0.027 | 0.032 | 17.458 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 216 | GLY | 0 | 0.037 | -0.004 | 19.874 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 217 | SER | 0 | -0.028 | -0.028 | 22.763 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 218 | GLU | -1 | -0.889 | -0.965 | 21.590 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 219 | ILE | 0 | 0.011 | 0.021 | 19.988 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 220 | GLY | 0 | -0.068 | -0.032 | 23.158 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 221 | ASP | -1 | -0.837 | -0.917 | 24.412 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 222 | HIS | 0 | -0.048 | -0.039 | 25.135 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 223 | PHE | 0 | -0.030 | -0.007 | 20.431 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 224 | VAL | 0 | 0.016 | 0.006 | 25.003 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 225 | THR | 0 | -0.011 | -0.005 | 27.909 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 226 | HIS | 0 | 0.018 | 0.037 | 26.351 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 227 | ALA | 0 | 0.022 | 0.000 | 29.296 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 228 | VAL | 0 | -0.075 | -0.030 | 26.942 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 229 | PRO | 0 | -0.054 | -0.004 | 26.399 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 230 | LYS | 1 | 0.940 | 0.958 | 28.360 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 231 | LEU | 0 | -0.036 | -0.026 | 28.600 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 232 | ILE | 0 | -0.007 | 0.021 | 26.246 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 233 | SER | 0 | 0.012 | 0.011 | 24.771 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 234 | PHE | 0 | 0.036 | 0.002 | 24.683 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 235 | THR | 0 | 0.057 | 0.035 | 23.426 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 236 | GLY | 0 | 0.004 | 0.003 | 23.891 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 237 | SER | 0 | 0.015 | 0.024 | 25.733 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 238 | THR | 0 | 0.099 | 0.035 | 28.563 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 239 | PRO | 0 | -0.011 | 0.002 | 30.934 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 240 | VAL | 0 | -0.045 | -0.026 | 26.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 241 | GLY | 0 | 0.066 | 0.028 | 29.476 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 242 | ARG | 1 | 0.937 | 0.962 | 30.478 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 243 | ARG | 1 | 0.959 | 0.975 | 30.303 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 244 | VAL | 0 | -0.015 | 0.012 | 27.754 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 245 | GLY | 0 | 0.025 | 0.002 | 30.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 246 | GLU | -1 | -0.991 | -0.992 | 33.791 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 247 | LEU | 0 | 0.011 | -0.011 | 30.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 248 | ALA | 0 | -0.064 | -0.019 | 32.045 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 249 | ILE | 0 | -0.079 | -0.019 | 33.680 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 250 | ASN | 0 | -0.070 | -0.045 | 37.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 251 | GLY | 0 | 0.125 | 0.060 | 34.851 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 252 | GLY | 0 | -0.020 | 0.004 | 34.040 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 253 | PRO | 0 | -0.087 | -0.060 | 35.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 254 | MET | 0 | -0.033 | -0.017 | 36.787 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 255 | LYS | 1 | 0.855 | 0.922 | 30.391 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 256 | THR | 0 | 0.000 | 0.023 | 32.811 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 257 | VAL | 0 | 0.017 | -0.014 | 30.374 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 258 | ALA | 0 | 0.013 | 0.031 | 29.563 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 259 | LEU | 0 | -0.050 | -0.040 | 29.343 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 260 | GLU | -1 | -0.889 | -0.936 | 27.518 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 261 | LEU | 0 | -0.046 | -0.047 | 28.316 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 262 | GLY | 0 | 0.038 | 0.021 | 29.194 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 263 | GLY | 0 | 0.005 | -0.015 | 30.166 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 264 | ASN | 0 | -0.027 | -0.035 | 32.420 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 265 | ALA | 0 | 0.022 | 0.023 | 33.860 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 266 | PRO | 0 | -0.007 | 0.000 | 35.614 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 267 | PHE | 0 | -0.015 | -0.021 | 37.223 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 268 | VAL | 0 | 0.024 | -0.005 | 39.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 269 | VAL | 0 | -0.017 | 0.005 | 42.735 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 270 | LEU | 0 | 0.019 | -0.003 | 44.968 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 271 | ALA | 0 | 0.039 | 0.006 | 48.509 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 272 | ASP | -1 | -0.859 | -0.920 | 51.343 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 273 | ALA | 0 | -0.005 | 0.011 | 45.887 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 274 | ASP | -1 | -0.862 | -0.925 | 45.233 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 275 | ILE | 0 | 0.040 | 0.007 | 44.818 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 276 | ASP | -1 | -0.877 | -0.947 | 43.747 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 277 | ALA | 0 | -0.031 | -0.004 | 41.352 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 278 | ALA | 0 | -0.011 | -0.015 | 40.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 279 | ALA | 0 | 0.024 | 0.019 | 39.861 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 280 | GLN | 0 | 0.042 | 0.005 | 37.058 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 281 | ALA | 0 | 0.004 | 0.008 | 35.559 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 282 | ALA | 0 | 0.003 | 0.015 | 34.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 283 | ALA | 0 | -0.006 | -0.011 | 34.405 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 284 | VAL | 0 | -0.038 | -0.032 | 30.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 285 | GLY | 0 | 0.017 | 0.003 | 30.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 286 | ALA | 0 | 0.002 | 0.008 | 30.566 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 287 | PHE | 0 | -0.027 | -0.021 | 28.437 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 288 | LEU | 0 | -0.011 | 0.013 | 25.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 289 | HIS | 0 | 0.010 | -0.010 | 24.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 290 | GLN | 0 | 0.055 | 0.050 | 25.415 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 291 | GLY | 0 | -0.030 | -0.031 | 23.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 292 | GLN | 0 | 0.000 | -0.015 | 23.886 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 293 | ILE | 0 | 0.028 | 0.001 | 25.099 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 294 | CYS | 0 | -0.043 | -0.004 | 27.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 295 | MET | 0 | -0.064 | -0.044 | 27.780 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 296 | SER | 0 | -0.030 | 0.006 | 28.401 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 297 | ILE | 0 | -0.011 | 0.007 | 30.332 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 298 | ASN | 0 | -0.019 | -0.011 | 30.918 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 299 | ARG | 1 | 0.861 | 0.938 | 34.265 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 300 | VAL | 0 | 0.010 | 0.020 | 37.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 301 | ILE | 0 | -0.020 | 0.029 | 40.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 302 | VAL | 0 | 0.026 | -0.002 | 44.139 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 303 | ASP | -1 | -0.836 | -0.920 | 46.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 304 | ALA | 0 | 0.026 | -0.012 | 50.415 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 305 | ALA | 0 | -0.075 | -0.027 | 52.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 306 | VAL | 0 | 0.015 | 0.004 | 48.546 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 307 | HIS | 0 | -0.043 | -0.032 | 47.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 308 | ASP | -1 | -0.857 | -0.922 | 47.667 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 309 | GLU | -1 | -0.949 | -0.963 | 48.404 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 310 | PHE | 0 | 0.012 | -0.017 | 40.512 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 311 | LEU | 0 | -0.020 | -0.012 | 42.860 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 312 | GLU | -1 | -0.919 | -0.958 | 43.443 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 313 | LYS | 1 | 0.872 | 0.935 | 43.352 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 314 | PHE | 0 | -0.012 | 0.005 | 36.116 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 315 | VAL | 0 | 0.010 | -0.005 | 38.759 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 316 | GLU | -1 | -0.986 | -0.988 | 39.085 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 317 | ALA | 0 | -0.005 | -0.009 | 36.893 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 318 | VAL | 0 | -0.012 | -0.014 | 34.005 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 319 | LYS | 1 | 0.860 | 0.934 | 34.363 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 320 | ASN | 0 | -0.098 | -0.038 | 35.043 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 321 | ILE | 0 | 0.046 | 0.047 | 29.308 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 322 | PRO | 0 | -0.047 | -0.028 | 27.489 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 323 | THR | 0 | 0.050 | 0.006 | 26.352 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 324 | GLY | 0 | -0.025 | -0.019 | 24.623 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 325 | ASP | -1 | -0.850 | -0.927 | 19.243 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 326 | PRO | 0 | 0.026 | 0.020 | 16.753 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 327 | SER | 0 | 0.003 | -0.004 | 16.206 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 328 | ALA | 0 | -0.023 | 0.006 | 17.433 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 329 | GLU | -1 | -0.927 | -0.977 | 20.874 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 330 | GLY | 0 | -0.023 | -0.015 | 22.246 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 331 | THR | 0 | -0.090 | -0.044 | 22.284 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 332 | LEU | 0 | -0.010 | -0.008 | 23.770 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 333 | VAL | 0 | -0.030 | 0.003 | 24.133 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 334 | GLY | 0 | 0.015 | 0.002 | 20.573 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 335 | PRO | 0 | -0.024 | -0.012 | 18.324 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 336 | VAL | 0 | -0.018 | -0.002 | 20.504 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 337 | ILE | 0 | 0.033 | 0.011 | 15.510 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 338 | ASN | 0 | 0.072 | 0.021 | 18.142 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 339 | ASP | -1 | -0.801 | -0.911 | 20.562 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 340 | SER | 0 | -0.076 | -0.015 | 23.601 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 341 | GLN | 0 | 0.033 | 0.011 | 23.583 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 342 | LEU | 0 | -0.013 | 0.019 | 24.602 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 343 | SER | 0 | -0.041 | -0.060 | 26.362 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 344 | GLY | 0 | 0.047 | 0.035 | 28.543 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 345 | LEU | 0 | -0.019 | -0.017 | 27.161 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 346 | LYN | 0 | -0.005 | -0.011 | 27.939 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 347 | GLU | -1 | -0.994 | -0.983 | 32.641 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 348 | LYS | 1 | 0.938 | 0.966 | 31.554 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 349 | ILE | 0 | -0.009 | 0.014 | 32.371 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 350 | GLU | -1 | -0.897 | -0.961 | 36.401 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 351 | LEU | 0 | -0.062 | -0.033 | 38.426 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 352 | ALA | 0 | 0.071 | 0.055 | 39.090 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 353 | LYS | 1 | 0.874 | 0.940 | 38.779 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 354 | LYS | 1 | 0.819 | 0.911 | 40.055 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 355 | GLU | -1 | -0.872 | -0.951 | 43.665 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 356 | GLY | 0 | -0.100 | -0.040 | 45.945 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 357 | ALA | 0 | 0.028 | 0.031 | 42.994 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 358 | THR | 0 | -0.055 | -0.038 | 44.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 359 | VAL | 0 | -0.042 | -0.011 | 39.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 360 | GLN | 0 | -0.006 | -0.014 | 40.778 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 361 | VAL | 0 | -0.051 | -0.032 | 35.905 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 362 | GLH | 0 | 0.012 | -0.015 | 33.859 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 363 | GLY | 0 | 0.015 | 0.014 | 33.394 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 364 | PRO | 0 | -0.032 | -0.002 | 30.991 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 365 | ILE | 0 | 0.018 | -0.008 | 28.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 366 | GLU | -1 | -0.947 | -0.972 | 27.056 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 367 | GLY | 0 | 0.056 | 0.028 | 24.206 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 368 | ARG | 1 | 0.838 | 0.913 | 18.910 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 369 | LEU | 0 | -0.044 | 0.004 | 22.644 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 370 | VAL | 0 | -0.033 | -0.016 | 24.556 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 371 | HIS | 0 | -0.002 | 0.001 | 27.588 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 372 | PRO | 0 | 0.041 | 0.021 | 29.491 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 373 | HIS | 0 | -0.118 | -0.058 | 31.388 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 374 | VAL | 0 | 0.029 | 0.028 | 34.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 375 | PHE | 0 | 0.006 | -0.007 | 36.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 376 | SER | 0 | 0.059 | 0.052 | 40.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 377 | ASP | -1 | -0.931 | -0.961 | 43.892 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 378 | VAL | 0 | 0.046 | -0.006 | 42.066 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 379 | THR | 0 | 0.023 | -0.031 | 45.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 380 | SER | 0 | 0.052 | 0.007 | 44.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 381 | ASP | -1 | -0.947 | -0.960 | 44.440 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 382 | MET | 0 | -0.026 | 0.070 | 43.245 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 383 | GLU | -1 | -0.892 | -0.976 | 36.959 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 384 | ILE | 0 | 0.007 | -0.003 | 36.054 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 385 | ALA | 0 | -0.056 | -0.032 | 37.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 386 | ARG | 1 | 0.825 | 0.916 | 39.616 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 387 | GLU | -1 | -0.854 | -0.892 | 35.773 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 388 | GLU | -1 | -0.855 | -0.921 | 30.739 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 389 | ILE | 0 | -0.010 | -0.013 | 30.461 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 390 | PHE | 0 | -0.085 | -0.037 | 25.460 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 391 | GLY | 0 | 0.048 | 0.002 | 26.747 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 392 | PRO | 0 | 0.008 | 0.036 | 26.656 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 393 | LEU | 0 | -0.017 | -0.018 | 29.480 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 394 | ILE | 0 | 0.041 | 0.015 | 32.937 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 395 | SER | 0 | -0.013 | -0.010 | 35.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 396 | VAL | 0 | -0.019 | -0.017 | 39.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 397 | LEU | 0 | -0.034 | -0.019 | 41.845 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 398 | LYS | 1 | 0.915 | 0.947 | 45.102 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 399 | ALA | 0 | 0.001 | 0.005 | 48.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 400 | ASP | -1 | -0.946 | -0.976 | 50.271 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 401 | ASP | -1 | -0.893 | -0.966 | 53.671 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 402 | GLU | -1 | -0.958 | -0.991 | 51.625 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 403 | ALA | 0 | 0.037 | 0.011 | 51.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 404 | HIS | 0 | 0.067 | 0.056 | 51.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 405 | ALA | 0 | 0.009 | -0.012 | 47.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 406 | ALA | 0 | -0.012 | -0.004 | 47.040 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 407 | GLU | -1 | -0.964 | -0.975 | 47.231 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 408 | LEU | 0 | -0.021 | -0.010 | 45.699 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 409 | ALA | 0 | -0.077 | -0.045 | 43.069 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 410 | ASN | 0 | 0.013 | -0.032 | 42.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 411 | ALA | 0 | -0.035 | 0.011 | 44.157 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 412 | SER | 0 | -0.081 | -0.033 | 38.930 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 413 | ASP | -1 | -0.838 | -0.912 | 38.896 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 414 | PHE | 0 | -0.077 | -0.060 | 34.766 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 415 | GLY | 0 | 0.037 | 0.028 | 35.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 416 | LEU | 0 | -0.017 | 0.007 | 29.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 417 | SER | 0 | -0.116 | -0.073 | 33.508 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 418 | ALA | 0 | 0.074 | 0.047 | 35.542 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 419 | ALA | 0 | -0.030 | 0.011 | 37.080 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 420 | VAL | 0 | 0.021 | 0.008 | 39.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 421 | TRP | 0 | -0.001 | 0.005 | 38.727 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 422 | SER | 0 | -0.017 | -0.028 | 44.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 423 | LYS | 1 | 0.828 | 0.910 | 47.592 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 424 | ASP | -1 | -0.893 | -0.947 | 49.575 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 425 | ILE | 0 | 0.019 | -0.005 | 46.762 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 426 | ASP | -1 | -0.942 | -0.977 | 49.489 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 427 | ARG | 1 | 0.951 | 0.984 | 51.956 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 428 | ALA | 0 | 0.031 | 0.030 | 46.924 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 429 | ALA | 0 | 0.007 | -0.009 | 46.919 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 430 | GLN | 0 | -0.094 | -0.044 | 47.983 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 431 | PHE | 0 | 0.028 | 0.012 | 45.926 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 432 | ALA | 0 | 0.009 | -0.013 | 44.132 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 433 | LEU | 0 | -0.066 | -0.032 | 45.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 434 | GLN | 0 | -0.055 | -0.024 | 47.297 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 435 | ILE | 0 | 0.002 | 0.021 | 41.795 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 436 | ASP | -1 | -0.886 | -0.918 | 43.042 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 437 | SER | 0 | -0.071 | -0.052 | 38.120 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 438 | GLY | 0 | -0.025 | 0.006 | 37.670 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 439 | MET | 0 | -0.058 | -0.045 | 32.262 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 440 | VAL | 0 | 0.052 | 0.035 | 37.976 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 441 | HIS | 0 | -0.089 | -0.054 | 35.183 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 442 | ILE | 0 | 0.040 | 0.014 | 39.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 443 | ASN | 0 | -0.044 | -0.032 | 41.584 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 444 | ASP | -1 | -0.945 | -0.965 | 36.139 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 465 | ARG | 1 | 0.895 | 0.961 | 29.998 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 466 | PHE | 0 | 0.034 | -0.006 | 27.394 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 467 | ASN | 0 | 0.049 | 0.033 | 30.412 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 468 | GLY | 0 | 0.054 | 0.012 | 31.223 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 469 | ASP | -1 | -0.916 | -0.975 | 32.227 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 470 | TRP | 0 | -0.001 | -0.007 | 33.836 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 471 | ALA | 0 | 0.039 | 0.033 | 29.261 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 472 | ILE | 0 | -0.030 | -0.015 | 31.040 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 473 | GLU | -1 | -0.933 | -0.955 | 32.578 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 474 | GLU | -1 | -0.941 | -0.950 | 29.211 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 475 | PHE | 0 | -0.019 | -0.010 | 26.437 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 476 | THR | 0 | -0.027 | -0.029 | 30.530 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 477 | THR | 0 | -0.049 | -0.025 | 33.459 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 478 | ASP | -1 | -0.840 | -0.907 | 36.604 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 479 | ARG | 1 | 0.901 | 0.950 | 35.655 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 480 | TRP | 0 | -0.040 | -0.033 | 42.174 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 481 | ILE | 0 | 0.002 | -0.003 | 43.718 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 482 | GLY | 0 | -0.012 | -0.003 | 47.596 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 483 | ILE | 0 | -0.034 | -0.019 | 50.707 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 484 | LYS | 1 | 0.896 | 0.936 | 53.211 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 485 | ARG | 1 | 0.841 | 0.919 | 52.911 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 486 | SER | 0 | -0.004 | 0.009 | 58.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 487 | ALA | 0 | 0.020 | -0.014 | 62.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 488 | GLU | -1 | -0.888 | -0.945 | 62.929 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 489 | ASN | 0 | -0.020 | -0.006 | 57.175 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 490 | LEU | 0 | 0.000 | -0.008 | 58.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 491 | TYR | 0 | -0.002 | 0.006 | 59.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 492 | PHE | 0 | -0.036 | -0.024 | 60.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 493 | GLN | 0 | 0.005 | 0.025 | 64.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |