FMODB ID: R99L8
Calculation Name: 4R0Y-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4R0Y
Chain ID: A
UniProt ID: P97836
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 469 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8845536.935258 |
---|---|
FMO2-HF: Nuclear repulsion | 8662275.074173 |
FMO2-HF: Total energy | -183261.861085 |
FMO2-MP2: Total energy | -183799.2095 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:LYS)
Summations of interaction energy for
fragment #1(A:1:LYS)
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. |
-342.424 | -348.887 | 44.512 | -19.446 | -18.601 | -0.224 |
Interaction energy analysis for fragmet #1(A:1:LYS)
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 | GLU | -1 | -0.857 | -0.924 | 3.894 | -22.904 | -21.754 | -0.007 | -0.469 | -0.674 | 0.000 |
4 | A | 4 | GLU | -1 | -0.893 | -0.938 | 6.134 | -21.551 | -21.551 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | GLY | 0 | 0.008 | 0.010 | 8.890 | 0.956 | 0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | LYS | 1 | 0.782 | 0.886 | 8.975 | 22.787 | 22.787 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | LEU | 0 | 0.022 | 0.026 | 12.077 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | VAL | 0 | -0.055 | -0.021 | 7.801 | 0.806 | 0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ILE | 0 | 0.024 | 0.021 | 11.311 | -0.827 | -0.827 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | TRP | 0 | -0.052 | -0.036 | 9.162 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ILE | 0 | 0.044 | 0.018 | 14.581 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ASN | 0 | 0.017 | -0.007 | 18.350 | -0.532 | -0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLY | 0 | -0.014 | -0.011 | 20.696 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ASP | -1 | -0.805 | -0.903 | 22.623 | -11.410 | -11.410 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LYS | 1 | 0.933 | 0.972 | 23.352 | 11.758 | 11.758 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | GLY | 0 | 0.042 | 0.038 | 24.899 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | TYR | 0 | -0.002 | -0.021 | 20.429 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASN | 0 | -0.074 | -0.059 | 21.718 | -0.622 | -0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLY | 0 | 0.078 | 0.038 | 24.107 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | -0.009 | -0.003 | 19.203 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ALA | 0 | -0.020 | -0.018 | 20.276 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.950 | -0.967 | 21.236 | -10.138 | -10.138 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | 0.025 | 0.011 | 23.166 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | 0.000 | -0.004 | 19.998 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LYS | 1 | 0.780 | 0.865 | 19.939 | 12.895 | 12.895 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LYS | 1 | 0.888 | 0.952 | 22.791 | 10.289 | 10.289 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PHE | 0 | 0.033 | 0.008 | 17.759 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLU | -1 | -0.791 | -0.874 | 19.163 | -13.431 | -13.431 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | LYS | 1 | 0.801 | 0.881 | 21.409 | 10.242 | 10.242 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ASP | -1 | -0.817 | -0.877 | 24.591 | -9.833 | -9.833 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | THR | 0 | -0.025 | -0.011 | 20.615 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | -0.030 | 0.000 | 20.999 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | ILE | 0 | -0.042 | -0.016 | 15.323 | -0.518 | -0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LYS | 1 | 0.849 | 0.920 | 11.751 | 19.068 | 19.068 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | VAL | 0 | 0.025 | 0.022 | 15.013 | -0.938 | -0.938 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | THR | 0 | -0.073 | -0.031 | 12.508 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | 0.031 | 0.018 | 14.286 | -0.628 | -0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLU | -1 | -0.903 | -0.949 | 11.218 | -21.311 | -21.311 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | HIS | 1 | 0.916 | 0.958 | 15.444 | 14.318 | 14.318 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PRO | 0 | -0.019 | 0.000 | 12.869 | 0.861 | 0.861 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ASP | -1 | -0.799 | -0.896 | 16.015 | -16.745 | -16.745 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LYS | 1 | 0.953 | 0.959 | 16.606 | 15.043 | 15.043 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LEU | 0 | 0.002 | 0.025 | 14.581 | -1.222 | -1.222 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLU | -1 | -0.773 | -0.893 | 14.626 | -17.392 | -17.392 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLU | -1 | -0.893 | -0.942 | 15.765 | -16.395 | -16.395 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | LYS | 1 | 0.811 | 0.892 | 11.680 | 18.180 | 18.180 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PHE | 0 | 0.035 | 0.018 | 10.470 | -3.209 | -3.209 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | PRO | 0 | 0.018 | 0.006 | 10.054 | -2.750 | -2.750 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLN | 0 | -0.068 | -0.029 | 9.883 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | VAL | 0 | -0.005 | -0.007 | 5.963 | -2.585 | -2.585 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.049 | 0.035 | 5.233 | -8.730 | -8.730 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ALA | 0 | -0.014 | -0.005 | 6.884 | -2.312 | -2.312 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | THR | 0 | -0.058 | -0.046 | 2.795 | 10.164 | 11.447 | 0.063 | -0.675 | -0.670 | -0.002 |
54 | A | 54 | GLY | 0 | 0.007 | 0.011 | 1.926 | -36.976 | -37.790 | 7.813 | -3.606 | -3.392 | -0.048 |
55 | A | 55 | ASP | -1 | -0.803 | -0.876 | 1.694 | -156.822 | -165.112 | 36.637 | -14.644 | -13.703 | -0.174 |
56 | A | 56 | GLY | 0 | 0.040 | 0.006 | 3.971 | 7.151 | 7.359 | 0.006 | -0.052 | -0.162 | 0.000 |
57 | A | 57 | PRO | 0 | -0.029 | 0.000 | 6.383 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ASP | -1 | -0.686 | -0.825 | 8.989 | -27.108 | -27.108 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ILE | 0 | -0.032 | -0.007 | 10.407 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ILE | 0 | -0.005 | 0.009 | 13.688 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PHE | 0 | 0.003 | -0.007 | 15.264 | 0.798 | 0.798 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | TRP | 0 | -0.016 | -0.018 | 18.938 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ALA | 0 | 0.034 | 0.030 | 21.021 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | HIS | 0 | 0.005 | -0.008 | 22.751 | -0.730 | -0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ASP | -1 | -0.867 | -0.948 | 23.817 | -13.460 | -13.460 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ARG | 1 | 0.866 | 0.928 | 17.757 | 15.986 | 15.986 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PHE | 0 | -0.010 | -0.013 | 18.268 | -0.889 | -0.889 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | GLY | 0 | 0.072 | 0.044 | 19.632 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLY | 0 | 0.031 | 0.011 | 20.086 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | TYR | 0 | -0.044 | -0.034 | 15.501 | -0.741 | -0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ALA | 0 | 0.022 | 0.022 | 15.673 | -1.239 | -1.239 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLN | 0 | 0.050 | 0.050 | 17.401 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | SER | 0 | -0.062 | -0.058 | 14.468 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.026 | 0.020 | 13.198 | -1.741 | -1.741 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LEU | 0 | -0.052 | -0.018 | 10.320 | -1.905 | -1.905 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | LEU | 0 | -0.063 | -0.019 | 12.295 | -0.937 | -0.937 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ALA | 0 | -0.010 | -0.010 | 13.856 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLU | -1 | -0.852 | -0.909 | 15.492 | -13.370 | -13.370 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ILE | 0 | -0.056 | -0.013 | 18.478 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | THR | 0 | 0.011 | -0.001 | 20.459 | 0.637 | 0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | PRO | 0 | 0.018 | 0.034 | 23.219 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ASP | -1 | -0.816 | -0.904 | 25.833 | -9.936 | -9.936 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LYS | 1 | 0.859 | 0.905 | 29.159 | 8.594 | 8.594 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ALA | 0 | -0.021 | -0.022 | 32.557 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PHE | 0 | 0.022 | 0.015 | 26.635 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | GLN | 0 | -0.035 | -0.037 | 28.426 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ASP | -1 | -0.823 | -0.894 | 30.689 | -8.301 | -8.301 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LYS | 1 | 0.885 | 0.969 | 28.636 | 10.514 | 10.514 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | -0.003 | 0.011 | 27.544 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | TYR | 0 | 0.023 | 0.012 | 32.327 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | PRO | 0 | -0.015 | -0.007 | 33.041 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | PHE | 0 | 0.052 | 0.018 | 32.810 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | -0.026 | -0.023 | 29.638 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | TRP | 0 | 0.011 | -0.019 | 24.946 | -0.609 | -0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASP | -1 | -0.825 | -0.888 | 28.165 | -10.160 | -10.160 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | -0.001 | 0.016 | 28.173 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | VAL | 0 | -0.031 | -0.015 | 23.645 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ARG | 1 | 0.876 | 0.946 | 24.216 | 10.177 | 10.177 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | TYR | 0 | -0.023 | -0.052 | 20.851 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASN | 0 | -0.033 | -0.020 | 23.718 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | GLY | 0 | -0.004 | 0.011 | 26.364 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | LYS | 1 | 0.831 | 0.919 | 20.563 | 14.960 | 14.960 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | 0.000 | 0.005 | 23.900 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ILE | 0 | 0.004 | -0.007 | 19.449 | -0.539 | -0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | -0.031 | -0.019 | 18.983 | -0.858 | -0.858 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | TYR | 0 | -0.023 | -0.049 | 19.853 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | PRO | 0 | -0.004 | 0.006 | 23.027 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | -0.031 | -0.016 | 22.756 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ALA | 0 | -0.021 | -0.007 | 26.503 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | VAL | 0 | -0.042 | -0.021 | 28.858 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | GLU | -1 | -0.898 | -0.952 | 30.406 | -9.793 | -9.793 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ALA | 0 | 0.023 | 0.003 | 32.877 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LEU | 0 | -0.020 | 0.007 | 35.870 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | SER | 0 | 0.005 | 0.002 | 38.829 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | LEU | 0 | -0.003 | -0.001 | 42.064 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ILE | 0 | -0.025 | 0.000 | 41.571 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | 0.002 | -0.006 | 46.145 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ASN | 0 | 0.070 | 0.025 | 49.819 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | LYS | 1 | 0.876 | 0.926 | 50.124 | 6.355 | 6.355 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ASP | -1 | -0.838 | -0.913 | 54.508 | -5.629 | -5.629 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | LEU | 0 | -0.125 | -0.056 | 54.630 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | LEU | 0 | -0.009 | -0.015 | 53.997 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | PRO | 0 | 0.018 | 0.018 | 55.327 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ASN | 0 | -0.057 | -0.031 | 55.996 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | PRO | 0 | 0.036 | 0.035 | 51.638 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | PRO | 0 | 0.019 | 0.016 | 52.711 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | LYS | 1 | 0.863 | 0.914 | 52.898 | 5.764 | 5.764 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | THR | 0 | -0.087 | -0.030 | 53.045 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | TRP | 0 | 0.055 | -0.007 | 46.726 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLU | -1 | -0.793 | -0.918 | 53.311 | -5.906 | -5.906 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | GLU | -1 | -0.813 | -0.879 | 56.509 | -5.614 | -5.614 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ILE | 0 | 0.000 | 0.003 | 52.318 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | PRO | 0 | 0.011 | -0.002 | 56.081 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ALA | 0 | -0.047 | 0.006 | 58.717 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LEU | 0 | 0.076 | 0.033 | 56.415 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ASP | -1 | -0.763 | -0.868 | 57.073 | -5.647 | -5.647 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LYS | 1 | 0.848 | 0.928 | 59.050 | 5.262 | 5.262 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLU | -1 | -0.885 | -0.951 | 62.774 | -4.979 | -4.979 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | LEU | 0 | -0.051 | -0.019 | 57.174 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | LYS | 1 | 0.854 | 0.918 | 56.184 | 5.694 | 5.694 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ALA | 0 | -0.032 | -0.009 | 61.500 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | LYS | 1 | 0.861 | 0.946 | 60.251 | 5.348 | 5.348 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | -0.008 | -0.002 | 61.591 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | LYS | 1 | 0.804 | 0.896 | 56.406 | 5.536 | 5.536 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | SER | 0 | 0.037 | 0.015 | 53.689 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | 0.016 | 0.006 | 55.244 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LEU | 0 | -0.029 | -0.012 | 47.998 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | MET | 0 | -0.005 | 0.006 | 48.991 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | PHE | 0 | 0.042 | 0.004 | 43.618 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASN | 0 | 0.029 | 0.008 | 38.470 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | LEU | 0 | 0.014 | 0.003 | 41.932 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | GLN | 0 | -0.031 | -0.025 | 40.436 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | GLU | -1 | -0.822 | -0.886 | 35.512 | -9.220 | -9.220 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | PRO | 0 | 0.013 | 0.012 | 36.315 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | TYR | 0 | -0.030 | -0.017 | 33.460 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | PHE | 0 | 0.030 | -0.003 | 36.246 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | THR | 0 | -0.037 | -0.010 | 39.857 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | TRP | 0 | 0.000 | -0.007 | 38.501 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | PRO | 0 | -0.009 | 0.005 | 40.304 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | LEU | 0 | 0.011 | 0.013 | 42.639 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ILE | 0 | -0.044 | -0.016 | 42.434 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ALA | 0 | 0.073 | 0.023 | 41.263 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ALA | 0 | -0.037 | 0.000 | 43.358 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ASP | -1 | -0.813 | -0.902 | 46.312 | -6.268 | -6.268 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | -0.001 | 0.001 | 45.689 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLY | 0 | -0.017 | 0.020 | 42.990 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | TYR | 0 | -0.120 | -0.081 | 38.088 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | -0.036 | -0.028 | 34.370 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | PHE | 0 | 0.002 | -0.019 | 31.389 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | LYS | 1 | 0.852 | 0.929 | 35.016 | 8.412 | 8.412 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | TYR | 0 | -0.040 | -0.040 | 30.306 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLU | -1 | -0.885 | -0.941 | 32.992 | -8.282 | -8.282 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASN | 0 | -0.008 | -0.001 | 31.690 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | 0.056 | 0.019 | 28.141 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LYS | 1 | 0.822 | 0.908 | 27.260 | 10.654 | 10.654 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | TYR | 0 | 0.022 | 0.004 | 28.603 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ASP | -1 | -0.822 | -0.894 | 30.703 | -9.438 | -9.438 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ILE | 0 | 0.005 | -0.003 | 28.978 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | LYS | 1 | 0.801 | 0.900 | 33.054 | 9.136 | 9.136 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ASP | -1 | -0.871 | -0.899 | 36.414 | -7.848 | -7.848 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | VAL | 0 | 0.042 | 0.014 | 35.929 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | GLY | 0 | 0.029 | 0.022 | 38.454 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | VAL | 0 | -0.027 | -0.031 | 38.883 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ASP | -1 | -0.806 | -0.899 | 41.940 | -6.830 | -6.830 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | ASN | 0 | -0.033 | -0.024 | 44.177 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ALA | 0 | 0.018 | -0.013 | 46.875 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | GLY | 0 | 0.030 | 0.028 | 48.248 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ALA | 0 | 0.028 | 0.013 | 44.379 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | LYS | 1 | 0.839 | 0.905 | 46.216 | 6.704 | 6.704 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ALA | 0 | -0.020 | 0.013 | 49.167 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLY | 0 | 0.032 | 0.007 | 48.068 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | LEU | 0 | -0.002 | -0.008 | 45.307 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | THR | 0 | -0.032 | -0.035 | 48.201 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | PHE | 0 | 0.024 | 0.019 | 51.747 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LEU | 0 | 0.014 | 0.008 | 45.998 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | VAL | 0 | -0.002 | -0.003 | 49.611 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ASP | -1 | -0.879 | -0.946 | 51.827 | -5.650 | -5.650 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | LEU | 0 | -0.048 | -0.022 | 51.643 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | -0.038 | -0.009 | 49.234 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.842 | 0.912 | 53.325 | 6.121 | 6.121 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.092 | -0.052 | 56.975 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | LYS | 1 | 0.793 | 0.895 | 55.886 | 5.818 | 5.818 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | HIS | 0 | 0.008 | -0.010 | 56.009 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | MET | 0 | -0.032 | 0.008 | 50.520 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASN | 0 | -0.009 | -0.030 | 51.436 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ALA | 0 | 0.048 | 0.032 | 49.002 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ASP | -1 | -0.843 | -0.895 | 47.137 | -6.549 | -6.549 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | THR | 0 | -0.050 | -0.029 | 46.323 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ASP | -1 | -0.731 | -0.850 | 41.707 | -7.707 | -7.707 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | TYR | 0 | -0.045 | -0.032 | 37.780 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | SER | 0 | -0.044 | -0.038 | 41.295 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | -0.039 | -0.023 | 42.649 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ALA | 0 | -0.014 | 0.008 | 44.074 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | GLU | -1 | -0.798 | -0.877 | 40.168 | -7.782 | -7.782 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ALA | 0 | 0.001 | -0.002 | 44.221 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | 0.015 | 0.023 | 46.555 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | -0.034 | -0.014 | 46.435 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ASN | 0 | 0.017 | -0.007 | 43.114 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | LYS | 1 | 0.807 | 0.880 | 47.622 | 6.380 | 6.380 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLY | 0 | -0.004 | 0.009 | 50.997 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLU | -1 | -0.857 | -0.917 | 52.288 | -5.973 | -5.973 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | THR | 0 | -0.029 | -0.031 | 49.614 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | -0.021 | -0.005 | 52.243 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | MET | 0 | -0.024 | -0.010 | 49.683 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | THR | 0 | 0.016 | -0.010 | 44.455 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | ILE | 0 | 0.010 | 0.008 | 41.887 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASN | 0 | 0.021 | -0.008 | 38.643 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | GLY | 0 | 0.067 | 0.030 | 36.494 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | PRO | 0 | 0.018 | 0.005 | 34.186 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | TRP | 0 | -0.020 | -0.002 | 32.758 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ALA | 0 | 0.004 | 0.011 | 34.513 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | TRP | 0 | 0.009 | 0.000 | 38.090 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | SER | 0 | 0.045 | 0.030 | 37.254 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ASN | 0 | -0.018 | -0.017 | 38.033 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | ILE | 0 | 0.011 | 0.025 | 41.234 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ASP | -1 | -0.784 | -0.850 | 41.477 | -7.172 | -7.172 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | THR | 0 | -0.100 | -0.058 | 41.881 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | SER | 0 | -0.057 | -0.043 | 44.517 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | LYS | 1 | 0.803 | 0.891 | 45.995 | 6.856 | 6.856 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | VAL | 0 | 0.027 | 0.033 | 48.999 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | ASN | 0 | -0.017 | -0.011 | 49.475 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | TYR | 0 | -0.048 | -0.058 | 43.304 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLY | 0 | -0.018 | -0.001 | 47.709 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | -0.007 | -0.006 | 42.135 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | THR | 0 | -0.016 | -0.012 | 45.615 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | VAL | 0 | 0.025 | 0.020 | 45.283 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | LEU | 0 | -0.024 | -0.021 | 42.015 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | PRO | 0 | -0.009 | 0.009 | 46.437 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | THR | 0 | -0.020 | -0.011 | 48.833 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | PHE | 0 | 0.011 | -0.005 | 49.926 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | LYS | 1 | 0.815 | 0.890 | 51.605 | 6.063 | 6.063 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | GLY | 0 | -0.016 | 0.001 | 54.079 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLN | 0 | -0.044 | -0.016 | 48.950 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | PRO | 0 | 0.005 | -0.009 | 45.847 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | 0.027 | -0.005 | 44.844 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | LYS | 1 | 0.828 | 0.922 | 41.092 | 7.182 | 7.182 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | PRO | 0 | -0.003 | 0.008 | 38.437 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | PHE | 0 | 0.025 | 0.009 | 33.826 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | VAL | 0 | -0.041 | -0.004 | 32.502 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | GLY | 0 | 0.011 | 0.000 | 29.643 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | VAL | 0 | 0.003 | -0.012 | 27.165 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LEU | 0 | -0.020 | 0.019 | 23.160 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | SER | 0 | 0.023 | -0.017 | 22.700 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ALA | 0 | 0.004 | -0.003 | 19.017 | -0.482 | -0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLY | 0 | 0.035 | 0.023 | 17.129 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ILE | 0 | 0.002 | 0.002 | 13.266 | -0.830 | -0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASN | 0 | -0.006 | -0.012 | 7.440 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ALA | 0 | 0.015 | 0.003 | 10.872 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ALA | 0 | -0.005 | -0.006 | 5.787 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | SER | 0 | -0.066 | -0.040 | 6.818 | -1.470 | -1.470 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | PRO | 0 | 0.034 | 0.028 | 6.469 | 2.104 | 2.104 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ASN | 0 | -0.011 | -0.030 | 8.977 | 3.105 | 3.105 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LYS | 1 | 0.845 | 0.906 | 10.933 | 26.064 | 26.064 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.871 | -0.939 | 14.130 | -17.011 | -17.011 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | LEU | 0 | 0.005 | -0.001 | 13.945 | 0.943 | 0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ALA | 0 | -0.001 | -0.008 | 14.251 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | LYS | 1 | 0.859 | 0.935 | 16.364 | 13.383 | 13.383 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLU | -1 | -0.856 | -0.908 | 19.462 | -11.306 | -11.306 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PHE | 0 | -0.005 | -0.008 | 18.655 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | LEU | 0 | -0.013 | -0.010 | 18.169 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | GLU | -1 | -0.792 | -0.893 | 21.729 | -11.808 | -11.808 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ASN | 0 | -0.042 | -0.055 | 24.473 | 0.842 | 0.842 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | TYR | 0 | -0.049 | -0.027 | 23.277 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | LEU | 0 | -0.012 | 0.001 | 21.780 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | LEU | 0 | -0.033 | -0.012 | 24.849 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | THR | 0 | -0.024 | -0.025 | 27.218 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | ASP | -1 | -0.801 | -0.888 | 30.072 | -8.916 | -8.916 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | GLU | -1 | -0.920 | -0.964 | 30.704 | -9.286 | -9.286 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | GLY | 0 | -0.020 | 0.000 | 27.469 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | LEU | 0 | -0.011 | -0.020 | 27.286 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | GLU | -1 | -0.803 | -0.876 | 29.414 | -8.664 | -8.664 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | ALA | 0 | 0.037 | 0.018 | 28.069 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | VAL | 0 | -0.064 | -0.037 | 24.919 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ASN | 0 | 0.021 | 0.008 | 27.625 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LYS | 1 | 0.780 | 0.882 | 31.050 | 8.854 | 8.854 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ASP | -1 | -0.843 | -0.887 | 26.099 | -10.911 | -10.911 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | LYS | 1 | 0.785 | 0.879 | 26.199 | 11.111 | 11.111 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | PRO | 0 | 0.003 | 0.006 | 30.060 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | LEU | 0 | -0.006 | -0.007 | 27.011 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | GLY | 0 | -0.027 | 0.010 | 30.781 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | ALA | 0 | 0.018 | 0.012 | 33.738 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | VAL | 0 | -0.011 | -0.023 | 30.995 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ALA | 0 | 0.000 | -0.011 | 29.137 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | LEU | 0 | -0.013 | -0.001 | 30.490 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | LYS | 1 | 0.815 | 0.908 | 32.192 | 8.645 | 8.645 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | SER | 0 | 0.040 | -0.014 | 35.108 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | TYR | 0 | 0.017 | -0.009 | 33.057 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | GLU | -1 | -0.805 | -0.903 | 35.554 | -8.358 | -8.358 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | GLU | -1 | -0.972 | -0.990 | 36.912 | -7.453 | -7.453 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLU | -1 | -0.929 | -0.940 | 37.879 | -7.783 | -7.783 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | LEU | 0 | 0.040 | 0.005 | 34.076 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ALA | 0 | -0.040 | -0.012 | 38.774 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | LYS | 1 | 0.821 | 0.891 | 41.426 | 7.335 | 7.335 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | ASP | -1 | -0.820 | -0.876 | 41.082 | -7.256 | -7.256 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | PRO | 0 | 0.004 | -0.016 | 42.580 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | ARG | 1 | 0.811 | 0.884 | 40.898 | 7.485 | 7.485 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ILE | 0 | -0.011 | 0.021 | 36.543 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | ALA | 0 | 0.035 | 0.018 | 39.646 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | ALA | 0 | -0.007 | 0.003 | 41.958 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | THR | 0 | -0.024 | -0.019 | 36.131 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | MET | 0 | 0.032 | 0.036 | 34.706 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | GLU | -1 | -0.876 | -0.927 | 38.595 | -6.929 | -6.929 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | ASN | 0 | -0.015 | -0.026 | 40.642 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | ALA | 0 | -0.001 | 0.003 | 35.705 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | GLN | 0 | -0.073 | -0.053 | 37.687 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | LYS | 1 | 0.797 | 0.895 | 39.380 | 7.136 | 7.136 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | GLY | 0 | 0.016 | 0.011 | 38.499 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | GLU | -1 | -0.825 | -0.892 | 35.429 | -8.799 | -8.799 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | ILE | 0 | 0.014 | -0.003 | 30.897 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | MET | 0 | -0.011 | 0.007 | 29.510 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | PRO | 0 | 0.033 | 0.011 | 29.462 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | ASN | 0 | -0.054 | -0.002 | 24.496 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | ILE | 0 | 0.003 | 0.002 | 24.210 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | PRO | 0 | 0.030 | 0.011 | 22.404 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLN | 0 | 0.020 | -0.018 | 24.720 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | MET | 0 | 0.007 | 0.016 | 27.987 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | SER | 0 | -0.033 | -0.011 | 26.936 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ALA | 0 | 0.017 | 0.012 | 29.019 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | PHE | 0 | 0.046 | 0.031 | 31.934 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | TRP | 0 | 0.017 | -0.004 | 29.280 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | TYR | 0 | 0.042 | 0.006 | 32.898 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ALA | 0 | -0.020 | 0.002 | 34.709 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | VAL | 0 | 0.070 | 0.025 | 37.203 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | ARG | 1 | 0.808 | 0.879 | 34.170 | 9.127 | 9.127 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | THR | 0 | -0.062 | -0.044 | 38.707 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | ALA | 0 | 0.031 | 0.024 | 41.053 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | VAL | 0 | 0.014 | 0.005 | 42.194 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | ILE | 0 | 0.013 | 0.016 | 41.823 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | ASN | 0 | -0.022 | -0.018 | 44.481 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | ALA | 0 | 0.041 | 0.027 | 46.982 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | ALA | 0 | -0.005 | -0.001 | 47.672 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | SER | 0 | -0.048 | -0.043 | 48.602 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | GLY | 0 | 0.004 | -0.001 | 50.800 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | ARG | 1 | 0.855 | 0.944 | 46.225 | 6.829 | 6.829 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | GLN | 0 | -0.007 | 0.006 | 46.211 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | THR | 0 | -0.014 | -0.039 | 50.670 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | VAL | 0 | 0.019 | -0.009 | 48.997 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | ASP | -1 | -0.826 | -0.906 | 48.454 | -6.456 | -6.456 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | GLU | -1 | -0.866 | -0.902 | 48.203 | -6.372 | -6.372 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | ALA | 0 | -0.072 | -0.020 | 45.867 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | LEU | 0 | -0.033 | -0.030 | 43.458 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | ALA | 0 | 0.006 | 0.023 | 43.849 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | MET | 0 | -0.035 | -0.007 | 38.191 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 807 | ASP | -1 | -0.836 | -0.924 | 42.737 | -7.359 | -7.359 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 808 | GLY | 0 | 0.056 | 0.005 | 40.734 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 809 | HIS | 0 | -0.051 | -0.026 | 39.171 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 810 | TRP | 0 | 0.011 | 0.004 | 36.971 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 811 | PHE | 0 | 0.020 | -0.001 | 36.115 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 812 | LEU | 0 | 0.000 | 0.002 | 35.115 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 813 | LYS | 1 | 0.826 | 0.937 | 33.069 | 8.334 | 8.334 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 814 | LEU | 0 | 0.012 | -0.006 | 31.429 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 815 | LEU | 0 | -0.015 | -0.003 | 30.481 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 816 | GLN | 0 | -0.060 | -0.037 | 26.406 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 817 | ALA | 0 | 0.025 | 0.023 | 26.566 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 818 | GLU | -1 | -0.752 | -0.854 | 25.580 | -12.102 | -12.102 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 819 | ARG | 1 | 0.809 | 0.892 | 25.253 | 10.965 | 10.965 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 820 | ASP | -1 | -0.852 | -0.916 | 22.811 | -13.214 | -13.214 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 821 | ARG | 1 | 0.783 | 0.883 | 20.611 | 12.255 | 12.255 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 822 | MET | 0 | 0.003 | 0.017 | 20.194 | -0.571 | -0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 823 | GLU | -1 | -0.838 | -0.927 | 20.919 | -13.436 | -13.436 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 824 | GLY | 0 | 0.006 | 0.010 | 17.406 | -0.841 | -0.841 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 825 | TRP | 0 | -0.007 | -0.016 | 16.175 | -0.998 | -0.998 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 826 | CYS | 0 | -0.066 | -0.020 | 16.335 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 827 | LYS | 1 | 0.839 | 0.898 | 15.189 | 18.332 | 18.332 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 828 | GLN | 0 | -0.084 | -0.037 | 11.087 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 829 | MET | 0 | 0.038 | 0.025 | 11.883 | -2.082 | -2.082 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 830 | GLU | -1 | -0.831 | -0.900 | 13.801 | -18.497 | -18.497 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 831 | ARG | 1 | 0.855 | 0.931 | 7.673 | 33.200 | 33.200 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 832 | GLU | -1 | -0.824 | -0.888 | 8.718 | -34.345 | -34.345 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 833 | GLU | -1 | -0.817 | -0.890 | 10.439 | -17.558 | -17.558 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 834 | ARG | 1 | 0.747 | 0.842 | 11.106 | 25.569 | 25.569 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 835 | GLU | -1 | -0.793 | -0.863 | 7.079 | -30.256 | -30.256 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 836 | ASN | 0 | -0.095 | -0.032 | 7.676 | -2.821 | -2.821 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 837 | ASN | 0 | -0.030 | -0.028 | 10.595 | 2.279 | 2.279 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 838 | LEU | 0 | -0.023 | -0.011 | 11.758 | 1.047 | 1.047 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 839 | PRO | 0 | 0.067 | 0.029 | 14.940 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 840 | GLU | -1 | -0.945 | -0.976 | 18.736 | -14.295 | -14.295 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 841 | ASP | -1 | -0.835 | -0.911 | 21.496 | -13.962 | -13.962 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 842 | ILE | 0 | 0.033 | 0.029 | 15.657 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 843 | LEU | 0 | 0.039 | 0.028 | 16.667 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 844 | GLY | 0 | -0.025 | -0.008 | 19.333 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 845 | LYS | 1 | 0.830 | 0.901 | 19.958 | 14.242 | 14.242 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 846 | ILE | 0 | 0.051 | 0.027 | 14.835 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 847 | ARG | 1 | 0.814 | 0.872 | 19.003 | 15.788 | 15.788 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 848 | THR | 0 | -0.035 | -0.006 | 21.929 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 849 | ALA | 0 | 0.014 | 0.032 | 20.369 | 0.514 | 0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 850 | VAL | 0 | 0.035 | 0.009 | 18.235 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 851 | GLY | 0 | 0.029 | 0.022 | 21.438 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 852 | SER | 0 | -0.074 | -0.064 | 24.863 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 853 | ALA | 0 | 0.033 | 0.020 | 23.079 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 854 | GLN | 0 | 0.041 | 0.003 | 21.499 | 0.733 | 0.733 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 855 | LEU | 0 | -0.024 | -0.007 | 25.770 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 856 | LEU | 0 | -0.035 | -0.013 | 28.595 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 857 | MET | 0 | 0.016 | 0.009 | 23.332 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 858 | ALA | 0 | -0.014 | 0.004 | 29.062 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 859 | GLN | 0 | -0.037 | -0.015 | 30.901 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 860 | LYS | 1 | 0.989 | 0.989 | 33.437 | 9.239 | 9.239 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 861 | PHE | 0 | 0.033 | 0.009 | 28.197 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 862 | TYR | 0 | -0.075 | -0.037 | 33.053 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 863 | GLN | 0 | 0.016 | -0.013 | 34.853 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 864 | PHE | 0 | 0.012 | 0.008 | 35.244 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 865 | ARG | 1 | 0.809 | 0.893 | 34.526 | 8.906 | 8.906 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 866 | GLU | -1 | -0.798 | -0.879 | 37.031 | -7.972 | -7.972 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 867 | LEU | 0 | 0.003 | 0.005 | 40.358 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 868 | CYS | 0 | -0.041 | -0.019 | 39.025 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 869 | GLU | -1 | -0.839 | -0.916 | 38.186 | -8.261 | -8.261 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 870 | GLU | -1 | -0.923 | -0.974 | 42.306 | -6.866 | -6.866 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 871 | ASN | 0 | -0.069 | -0.048 | 43.912 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 872 | LEU | 0 | -0.010 | 0.008 | 41.711 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 873 | ASN | 0 | 0.019 | 0.030 | 46.026 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 874 | PRO | 0 | -0.007 | -0.012 | 48.743 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 875 | ASN | 0 | -0.081 | -0.046 | 52.101 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 876 | ALA | 0 | -0.033 | -0.024 | 51.880 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 877 | HIS | 0 | 0.028 | 0.026 | 48.480 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 878 | PRO | 0 | 0.005 | -0.005 | 50.951 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 879 | ARG | 1 | 0.827 | 0.918 | 48.984 | 6.344 | 6.344 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 880 | PRO | 0 | 0.009 | 0.032 | 45.274 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 881 | THR | 0 | -0.028 | -0.022 | 47.351 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 882 | SER | 0 | 0.041 | 0.002 | 44.951 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 883 | GLN | 0 | 0.005 | 0.003 | 44.433 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 884 | ASP | -1 | -0.808 | -0.882 | 45.052 | -6.842 | -6.842 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 885 | LEU | 0 | -0.045 | -0.018 | 41.282 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 886 | ALA | 0 | 0.054 | 0.031 | 40.421 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 887 | GLY | 0 | 0.009 | 0.012 | 40.410 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 888 | PHE | 0 | -0.050 | -0.047 | 39.428 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 889 | TRP | 0 | -0.023 | -0.007 | 31.836 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 890 | ASP | -1 | -0.828 | -0.938 | 35.733 | -8.706 | -8.706 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 891 | MET | 0 | -0.077 | -0.037 | 36.329 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 892 | LEU | 0 | -0.040 | -0.019 | 32.299 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 893 | GLN | 0 | 0.030 | -0.021 | 30.605 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 894 | LEU | 0 | -0.031 | 0.006 | 31.431 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 895 | SER | 0 | -0.039 | -0.028 | 30.364 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 896 | ILE | 0 | 0.008 | -0.001 | 26.736 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 897 | GLU | -1 | -0.817 | -0.881 | 26.812 | -11.584 | -11.584 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 898 | ASN | 0 | -0.032 | -0.016 | 27.101 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 899 | ILE | 0 | -0.025 | -0.024 | 23.677 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 900 | SER | 0 | 0.019 | 0.011 | 22.763 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 901 | MET | 0 | -0.040 | -0.016 | 22.316 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 902 | LYS | 1 | 0.888 | 0.956 | 22.757 | 11.798 | 11.798 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 903 | PHE | 0 | 0.025 | 0.005 | 17.396 | -0.605 | -0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 904 | ASP | -1 | -0.821 | -0.893 | 17.986 | -15.901 | -15.901 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 905 | GLU | -1 | -0.956 | -0.984 | 19.046 | -14.199 | -14.199 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 906 | LEU | 0 | -0.035 | -0.025 | 16.047 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 907 | HIS | 0 | 0.025 | 0.008 | 14.236 | -2.198 | -2.198 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 908 | GLN | 0 | -0.096 | -0.039 | 14.526 | -0.641 | -0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 909 | LEU | 0 | -0.014 | -0.010 | 15.644 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 910 | LYS | 1 | 0.803 | 0.883 | 7.327 | 35.217 | 35.217 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 911 | ALA | 0 | 0.049 | 0.027 | 9.850 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 912 | ASN | 0 | -0.092 | -0.046 | 11.823 | 1.834 | 1.834 | 0.000 | 0.000 | 0.000 | 0.000 |