FMODB ID: R8ZM8
Calculation Name: 2G3M-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2G3M
Chain ID: C
UniProt ID: P0CD66
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 691 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18637624.114583 |
---|---|
FMO2-HF: Nuclear repulsion | 18360027.896417 |
FMO2-HF: Total energy | -277596.218166 |
FMO2-MP2: Total energy | -278419.814066 |
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(C:3:ILE)
Summations of interaction energy for
fragment #1(C:3:ILE)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-6.84 | -3.123 | 7.717 | -3.395 | -8.036 | -0.002 |
Interaction energy analysis for fragmet #1(C:3:ILE)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | C | 5 | LYS | 1 | 0.917 | 0.966 | 2.210 | -1.942 | -0.746 | 4.197 | -1.845 | -3.547 | 0.011 |
4 | C | 6 | ILE | 0 | 0.025 | 0.015 | 5.261 | -0.255 | -0.239 | -0.001 | -0.001 | -0.014 | 0.000 |
5 | C | 7 | TYR | 0 | -0.010 | 0.002 | 7.061 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 8 | GLU | -1 | -0.770 | -0.874 | 11.417 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 9 | ASN | 0 | -0.024 | -0.027 | 15.140 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 10 | LYS | 1 | 0.847 | 0.910 | 18.202 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 11 | GLY | 0 | 0.038 | 0.023 | 20.811 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 12 | VAL | 0 | -0.006 | 0.001 | 16.442 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 13 | TYR | 0 | -0.019 | -0.021 | 13.795 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 14 | LYS | 1 | 0.836 | 0.920 | 10.018 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 15 | VAL | 0 | -0.001 | 0.001 | 8.574 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 16 | VAL | 0 | -0.040 | -0.033 | 4.105 | -0.141 | 0.008 | -0.001 | -0.012 | -0.136 | 0.000 |
15 | C | 17 | ILE | 0 | -0.005 | 0.000 | 4.523 | -0.541 | -0.350 | -0.001 | -0.052 | -0.138 | 0.000 |
16 | C | 18 | GLY | 0 | 0.039 | -0.001 | 2.036 | -0.498 | 0.159 | 3.105 | -2.050 | -1.712 | -0.001 |
17 | C | 19 | GLU | -1 | -0.996 | -1.006 | 2.567 | -1.879 | -1.371 | 0.388 | 1.023 | -1.918 | -0.008 |
18 | C | 20 | PRO | 0 | -0.031 | -0.011 | 5.195 | 0.240 | 0.335 | -0.001 | -0.004 | -0.089 | 0.000 |
19 | C | 21 | PHE | 0 | 0.003 | -0.003 | 8.633 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 22 | PRO | 0 | 0.004 | 0.013 | 11.500 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 23 | PRO | 0 | 0.068 | 0.040 | 14.363 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 24 | ILE | 0 | 0.034 | 0.018 | 17.506 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 25 | GLU | -1 | -0.876 | -0.913 | 14.569 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 26 | PHE | 0 | -0.015 | 0.001 | 16.328 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 27 | PRO | 0 | -0.014 | -0.002 | 16.433 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 28 | LEU | 0 | 0.049 | 0.001 | 14.342 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 29 | GLU | -1 | -0.845 | -0.908 | 16.689 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 30 | GLN | 0 | 0.004 | 0.023 | 17.716 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 31 | LYS | 1 | 0.896 | 0.945 | 12.742 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 32 | ILE | 0 | 0.007 | 0.019 | 13.889 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 33 | SER | 0 | -0.003 | -0.023 | 11.733 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 34 | SER | 0 | -0.030 | -0.029 | 11.821 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 35 | ASN | 0 | -0.083 | -0.047 | 13.640 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 36 | LYS | 1 | 0.890 | 0.975 | 15.243 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 37 | SER | 0 | -0.030 | -0.048 | 12.633 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 38 | LEU | 0 | 0.035 | -0.007 | 9.282 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 39 | SER | 0 | 0.037 | 0.012 | 12.525 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 40 | GLU | -1 | -0.870 | -0.897 | 15.346 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 41 | LEU | 0 | -0.070 | -0.024 | 13.375 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 42 | GLY | 0 | -0.016 | 0.001 | 17.217 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 43 | LEU | 0 | -0.060 | -0.032 | 13.783 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 44 | THR | 0 | 0.007 | 0.010 | 12.758 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 45 | ILE | 0 | -0.014 | -0.014 | 7.531 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 46 | VAL | 0 | 0.010 | 0.009 | 8.980 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 47 | GLN | 0 | -0.008 | -0.003 | 3.281 | -0.973 | -0.068 | 0.031 | -0.454 | -0.482 | -0.004 |
46 | C | 48 | GLN | 0 | -0.003 | -0.024 | 7.728 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 49 | GLY | 0 | 0.006 | -0.001 | 10.361 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 50 | ASN | 0 | -0.047 | -0.020 | 11.179 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 51 | LYS | 1 | 0.921 | 0.972 | 10.964 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 52 | VAL | 0 | 0.029 | 0.029 | 7.533 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 53 | ILE | 0 | -0.046 | -0.018 | 10.231 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 54 | VAL | 0 | -0.002 | -0.009 | 11.092 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 55 | GLU | -1 | -0.927 | -0.961 | 13.333 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 56 | LYS | 1 | 0.853 | 0.908 | 16.190 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 57 | SER | 0 | 0.022 | 0.025 | 18.924 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 58 | LEU | 0 | -0.025 | -0.003 | 22.258 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 59 | ASP | -1 | -0.819 | -0.900 | 25.435 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 60 | LEU | 0 | -0.004 | -0.024 | 28.785 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 61 | LYS | 1 | 0.873 | 0.909 | 32.176 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 62 | GLU | -1 | -0.775 | -0.819 | 25.289 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 63 | HIS | 1 | 0.827 | 0.906 | 30.062 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 64 | ILE | 0 | -0.012 | -0.003 | 24.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 65 | ILE | 0 | 0.027 | 0.031 | 27.830 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 66 | GLY | 0 | 0.032 | 0.025 | 27.025 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 67 | LEU | 0 | -0.046 | -0.035 | 23.169 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 68 | GLY | 0 | 0.000 | -0.010 | 26.477 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 69 | GLU | -1 | -0.820 | -0.927 | 29.068 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 70 | LYS | 1 | 0.816 | 0.902 | 26.829 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 71 | ALA | 0 | 0.030 | 0.030 | 32.145 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 72 | PHE | 0 | -0.016 | -0.032 | 32.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 73 | GLU | -1 | -0.780 | -0.866 | 34.886 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 74 | LEU | 0 | -0.043 | -0.019 | 33.546 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 75 | ASP | -1 | -0.850 | -0.914 | 31.294 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 76 | ARG | 1 | 0.815 | 0.879 | 28.057 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 77 | LYS | 1 | 0.821 | 0.907 | 28.554 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 78 | ARG | 1 | 0.766 | 0.885 | 28.666 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 79 | LYS | 1 | 0.964 | 1.005 | 28.328 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 80 | ARG | 1 | 0.784 | 0.869 | 21.562 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 81 | TYR | 0 | -0.051 | -0.039 | 25.048 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 82 | VAL | 0 | -0.007 | -0.007 | 23.798 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 83 | MET | 0 | -0.043 | -0.007 | 22.120 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 84 | TYR | 0 | -0.007 | -0.030 | 23.040 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 85 | ASN | 0 | 0.047 | 0.060 | 25.700 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 86 | VAL | 0 | -0.009 | -0.006 | 28.468 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 87 | ASP | -1 | -0.753 | -0.856 | 31.617 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 88 | ALA | 0 | 0.007 | 0.001 | 34.998 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 89 | GLY | 0 | 0.034 | 0.020 | 36.333 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 90 | ALA | 0 | -0.019 | 0.005 | 39.995 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 91 | TYR | 0 | -0.065 | -0.048 | 37.909 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 92 | LYS | 1 | 0.919 | 0.957 | 39.415 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 93 | LYS | 1 | 0.883 | 0.915 | 38.617 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 94 | TYR | 0 | -0.109 | -0.090 | 35.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 95 | GLN | 0 | -0.025 | 0.007 | 34.996 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 96 | ASP | -1 | -0.796 | -0.888 | 28.479 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 97 | PRO | 0 | -0.098 | -0.043 | 27.963 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 98 | LEU | 0 | 0.007 | -0.019 | 30.058 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 99 | TYR | 0 | 0.015 | -0.004 | 30.771 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 100 | VAL | 0 | -0.045 | -0.009 | 28.555 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 101 | SER | 0 | -0.020 | -0.019 | 24.239 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 102 | ILE | 0 | -0.010 | -0.005 | 24.149 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 103 | PRO | 0 | -0.021 | 0.011 | 19.459 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 104 | LEU | 0 | -0.011 | -0.018 | 20.090 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 105 | PHE | 0 | 0.000 | 0.008 | 19.514 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 106 | ILE | 0 | 0.008 | -0.017 | 22.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 107 | SER | 0 | -0.060 | -0.043 | 24.162 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 108 | VAL | 0 | 0.020 | -0.004 | 25.977 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 109 | LYS | 1 | 0.863 | 0.911 | 24.596 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 110 | ASP | -1 | -0.890 | -0.941 | 29.477 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 111 | GLY | 0 | -0.017 | -0.008 | 32.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 112 | VAL | 0 | -0.039 | -0.007 | 27.041 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 113 | ALA | 0 | -0.022 | -0.014 | 27.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 114 | THR | 0 | -0.007 | -0.006 | 21.028 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 115 | GLY | 0 | -0.010 | -0.008 | 22.087 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 116 | TYR | 0 | 0.009 | 0.006 | 17.407 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 117 | PHE | 0 | -0.005 | -0.004 | 17.675 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 118 | PHE | 0 | 0.069 | 0.010 | 13.958 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 119 | ASN | 0 | -0.047 | -0.015 | 14.402 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 120 | SER | 0 | 0.019 | -0.017 | 14.434 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 121 | ALA | 0 | -0.031 | -0.015 | 16.265 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 122 | SER | 0 | 0.003 | 0.005 | 16.549 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 123 | LYS | 1 | 0.945 | 0.979 | 19.167 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 124 | VAL | 0 | -0.030 | -0.017 | 16.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 125 | ILE | 0 | -0.036 | -0.018 | 18.611 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 126 | PHE | 0 | 0.035 | 0.013 | 19.294 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 127 | ASP | -1 | -0.754 | -0.853 | 21.038 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 128 | VAL | 0 | 0.026 | 0.014 | 22.613 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 129 | GLY | 0 | 0.050 | 0.018 | 24.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 130 | LEU | 0 | -0.091 | -0.037 | 25.682 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 131 | GLU | -1 | -0.882 | -0.937 | 21.157 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 132 | GLU | -1 | -0.881 | -0.942 | 23.279 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 133 | TYR | 0 | -0.021 | -0.013 | 25.163 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 134 | ASP | -1 | -0.817 | -0.896 | 25.037 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 135 | LYS | 1 | 0.856 | 0.918 | 20.141 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 136 | VAL | 0 | -0.033 | -0.003 | 20.514 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 137 | ILE | 0 | 0.025 | 0.009 | 17.217 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 138 | VAL | 0 | 0.000 | 0.001 | 15.863 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 139 | THR | 0 | -0.011 | -0.008 | 14.944 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 140 | ILE | 0 | 0.028 | 0.013 | 12.397 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 141 | PRO | 0 | -0.033 | -0.005 | 13.203 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 142 | GLU | -1 | -0.825 | -0.896 | 11.840 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 143 | ASP | -1 | -0.879 | -0.921 | 7.878 | -1.418 | -1.418 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 144 | SER | 0 | 0.001 | -0.017 | 6.227 | -0.716 | -0.716 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 145 | VAL | 0 | -0.017 | -0.008 | 7.457 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | C | 146 | GLU | -1 | -0.765 | -0.842 | 8.289 | -0.589 | -0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 147 | PHE | 0 | -0.002 | -0.009 | 10.169 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 148 | TYR | 0 | -0.039 | -0.057 | 12.322 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 149 | VAL | 0 | 0.018 | 0.026 | 14.674 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 150 | ILE | 0 | -0.056 | -0.032 | 17.019 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 151 | GLU | -1 | -0.785 | -0.893 | 20.195 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 152 | GLY | 0 | 0.047 | 0.056 | 22.571 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 153 | PRO | 0 | -0.037 | -0.030 | 26.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 154 | ARG | 1 | 0.865 | 0.886 | 28.602 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 155 | ILE | 0 | 0.044 | 0.002 | 28.989 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 156 | GLU | -1 | -0.830 | -0.876 | 29.081 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 157 | ASP | -1 | -0.788 | -0.868 | 27.772 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 158 | VAL | 0 | -0.023 | -0.002 | 23.540 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 159 | LEU | 0 | 0.029 | 0.005 | 24.917 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | C | 160 | GLU | -1 | -0.842 | -0.862 | 26.949 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 161 | LYS | 1 | 0.836 | 0.909 | 22.492 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 162 | TYR | 0 | 0.019 | 0.000 | 21.301 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 163 | THR | 0 | -0.022 | -0.015 | 23.185 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 164 | GLU | -1 | -0.879 | -0.918 | 24.011 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 165 | LEU | 0 | -0.066 | -0.016 | 17.225 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 166 | THR | 0 | -0.012 | -0.021 | 20.522 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 167 | GLY | 0 | -0.014 | 0.003 | 22.504 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 168 | LYS | 1 | 0.832 | 0.904 | 25.922 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 169 | PRO | 0 | -0.016 | -0.004 | 29.360 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 170 | PHE | 0 | -0.018 | 0.010 | 32.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 171 | LEU | 0 | 0.007 | -0.008 | 34.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 172 | PRO | 0 | -0.025 | 0.016 | 37.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 173 | PRO | 0 | 0.051 | 0.030 | 40.389 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 174 | MET | 0 | 0.028 | 0.003 | 44.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 175 | TRP | 0 | 0.004 | -0.024 | 45.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 176 | ALA | 0 | -0.009 | 0.006 | 42.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 177 | PHE | 0 | -0.050 | -0.014 | 40.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 178 | GLY | 0 | 0.010 | 0.004 | 45.529 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 179 | TYR | 0 | 0.011 | 0.000 | 48.255 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 180 | MET | 0 | -0.033 | 0.021 | 45.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 181 | ILE | 0 | 0.007 | 0.008 | 49.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 182 | SER | 0 | -0.002 | -0.048 | 48.120 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 183 | ARG | 1 | 0.923 | 0.960 | 50.330 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 184 | TYR | 0 | -0.002 | 0.039 | 47.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 185 | SER | 0 | 0.018 | -0.036 | 50.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 186 | TYR | 0 | -0.105 | -0.058 | 52.124 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 187 | TYR | 0 | -0.019 | -0.013 | 54.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 188 | PRO | 0 | -0.002 | -0.008 | 57.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 189 | GLN | 0 | 0.071 | 0.002 | 57.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 190 | ASP | -1 | -0.832 | -0.916 | 58.830 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 191 | LYS | 1 | 0.825 | 0.892 | 60.198 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 192 | VAL | 0 | -0.032 | -0.005 | 55.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 193 | VAL | 0 | 0.006 | 0.001 | 58.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 194 | GLU | -1 | -0.797 | -0.871 | 60.504 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 195 | LEU | 0 | -0.006 | 0.004 | 57.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 196 | VAL | 0 | 0.004 | -0.001 | 56.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 197 | ASP | -1 | -0.768 | -0.854 | 59.441 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 198 | ILE | 0 | -0.037 | -0.018 | 63.069 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 199 | MET | 0 | -0.016 | -0.003 | 56.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 200 | GLN | 0 | -0.027 | -0.017 | 58.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 201 | LYS | 1 | 0.842 | 0.930 | 61.830 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 202 | GLU | -1 | -0.905 | -0.960 | 64.031 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 203 | GLY | 0 | -0.007 | 0.007 | 62.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | C | 204 | PHE | 0 | -0.016 | -0.004 | 57.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | C | 205 | ARG | 1 | 0.830 | 0.895 | 54.505 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | C | 206 | VAL | 0 | 0.017 | 0.013 | 53.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 207 | ALA | 0 | -0.017 | 0.005 | 50.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 208 | GLY | 0 | 0.039 | 0.003 | 49.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 209 | VAL | 0 | -0.025 | -0.002 | 50.880 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 210 | PHE | 0 | 0.004 | -0.022 | 43.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 211 | LEU | 0 | -0.026 | -0.014 | 48.424 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 212 | ASP | -1 | -0.742 | -0.884 | 46.514 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 213 | ILE | 0 | 0.052 | -0.005 | 44.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 214 | HIS | 0 | -0.047 | 0.012 | 47.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 215 | TYR | 0 | -0.036 | -0.027 | 45.551 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 216 | MET | 0 | -0.019 | 0.037 | 44.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 217 | ASP | -1 | -0.810 | -0.898 | 50.090 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 218 | SER | 0 | -0.106 | -0.069 | 49.853 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 219 | TYR | 0 | -0.026 | -0.023 | 45.973 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 220 | LYS | 1 | 0.868 | 0.942 | 45.225 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 221 | LEU | 0 | 0.061 | 0.042 | 39.728 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 222 | PHE | 0 | 0.014 | 0.012 | 40.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 223 | THR | 0 | -0.027 | -0.017 | 45.958 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 224 | TRP | 0 | 0.038 | -0.008 | 49.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 225 | HIS | 0 | -0.019 | -0.005 | 52.568 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 226 | PRO | 0 | 0.038 | 0.007 | 54.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 227 | TYR | 0 | -0.028 | -0.017 | 57.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 228 | ARG | 1 | 0.859 | 0.932 | 53.547 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 229 | PHE | 0 | -0.008 | -0.005 | 54.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 230 | PRO | 0 | 0.029 | 0.026 | 57.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 231 | GLU | -1 | -0.901 | -0.948 | 59.512 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 232 | PRO | 0 | 0.073 | 0.037 | 54.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 233 | LYS | 1 | 0.861 | 0.911 | 56.051 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 234 | LYS | 1 | 0.865 | 0.937 | 57.326 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 235 | LEU | 0 | -0.012 | -0.003 | 54.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 236 | ILE | 0 | 0.026 | 0.006 | 52.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 237 | ASP | -1 | -0.821 | -0.887 | 55.636 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 238 | GLU | -1 | -0.902 | -0.952 | 58.522 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 239 | LEU | 0 | 0.010 | 0.006 | 54.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 240 | HIS | 0 | -0.010 | -0.006 | 51.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 241 | LYS | 1 | 0.900 | 0.968 | 56.582 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 242 | ARG | 1 | 0.653 | 0.785 | 59.168 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 243 | ASN | 0 | -0.072 | -0.038 | 55.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 244 | VAL | 0 | -0.032 | -0.002 | 53.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 245 | LYS | 1 | 0.840 | 0.921 | 48.669 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 246 | LEU | 0 | 0.013 | -0.001 | 49.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 247 | ILE | 0 | -0.034 | -0.008 | 44.037 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 248 | THR | 0 | 0.019 | 0.018 | 44.885 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 249 | ILE | 0 | 0.009 | 0.013 | 42.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 250 | VAL | 0 | -0.054 | -0.027 | 39.628 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 251 | ASP | -1 | -0.806 | -0.914 | 38.981 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 252 | HIS | 0 | 0.069 | 0.016 | 33.271 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 253 | GLY | 0 | -0.043 | -0.022 | 36.177 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 254 | ILE | 0 | -0.009 | 0.003 | 37.576 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 255 | ARG | 1 | 0.861 | 0.910 | 39.715 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 256 | VAL | 0 | -0.034 | -0.006 | 39.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 257 | ASP | -1 | -0.855 | -0.928 | 42.533 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 258 | GLN | 0 | 0.019 | -0.007 | 45.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 259 | ASN | 0 | -0.026 | -0.006 | 47.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 260 | TYR | 0 | -0.040 | -0.020 | 42.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 261 | SER | 0 | 0.056 | 0.013 | 44.851 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 262 | PRO | 0 | 0.051 | 0.027 | 41.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 263 | PHE | 0 | 0.030 | 0.011 | 39.225 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 264 | LEU | 0 | -0.022 | -0.010 | 40.230 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 265 | SER | 0 | -0.013 | -0.004 | 40.882 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 266 | GLY | 0 | 0.043 | 0.016 | 37.087 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 267 | MET | 0 | 0.021 | 0.015 | 35.662 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 268 | GLY | 0 | -0.013 | -0.001 | 33.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 269 | LYS | 1 | 0.800 | 0.909 | 31.232 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 270 | PHE | 0 | -0.011 | 0.003 | 31.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 271 | CYS | 0 | -0.056 | -0.014 | 28.753 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 272 | GLU | -1 | -0.818 | -0.877 | 27.716 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 273 | ILE | 0 | -0.013 | -0.010 | 27.803 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 274 | GLU | -1 | -0.893 | -0.967 | 21.852 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 275 | SER | 0 | -0.107 | -0.069 | 25.988 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 276 | GLY | 0 | -0.009 | 0.004 | 28.643 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 277 | GLU | -1 | -0.862 | -0.892 | 29.701 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 278 | LEU | 0 | 0.011 | -0.008 | 31.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 279 | PHE | 0 | 0.001 | -0.004 | 30.676 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 280 | VAL | 0 | -0.045 | -0.032 | 32.740 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 281 | GLY | 0 | 0.032 | 0.017 | 36.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 282 | LYS | 1 | 0.805 | 0.883 | 37.189 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 283 | MET | 0 | 0.024 | 0.043 | 38.122 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 284 | TRP | 0 | 0.052 | 0.021 | 40.839 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 285 | PRO | 0 | -0.014 | -0.003 | 42.168 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 286 | GLY | 0 | -0.004 | 0.004 | 43.976 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 287 | THR | 0 | -0.025 | -0.023 | 41.293 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 288 | THR | 0 | 0.012 | 0.015 | 38.166 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 289 | VAL | 0 | 0.023 | 0.025 | 35.520 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 290 | TYR | 0 | 0.019 | -0.026 | 32.334 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 291 | PRO | 0 | 0.022 | 0.046 | 32.357 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 292 | ASP | -1 | -0.678 | -0.867 | 26.119 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 293 | PHE | 0 | 0.024 | -0.006 | 28.224 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 294 | PHE | 0 | -0.004 | -0.003 | 22.545 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 295 | ARG | 1 | 0.805 | 0.912 | 24.100 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 296 | GLU | -1 | -0.872 | -0.931 | 25.992 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 297 | ASP | -1 | -0.818 | -0.926 | 27.657 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 298 | THR | 0 | -0.007 | -0.006 | 29.378 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | C | 299 | ARG | 1 | 0.838 | 0.921 | 24.532 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | C | 300 | GLU | -1 | -0.903 | -0.925 | 31.599 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | C | 301 | TRP | 0 | -0.010 | -0.009 | 33.922 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | C | 302 | TRP | 0 | 0.005 | -0.014 | 34.365 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | C | 303 | ALA | 0 | -0.015 | -0.008 | 34.835 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | C | 304 | GLY | 0 | 0.005 | 0.000 | 36.722 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | C | 305 | LEU | 0 | 0.013 | 0.010 | 39.193 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | C | 306 | ILE | 0 | -0.012 | -0.001 | 37.902 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | C | 307 | SER | 0 | -0.043 | -0.030 | 40.725 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | C | 308 | GLU | -1 | -0.946 | -0.971 | 42.363 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | C | 309 | TRP | 0 | 0.007 | 0.010 | 44.000 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | C | 310 | LEU | 0 | 0.013 | -0.003 | 41.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | C | 311 | SER | 0 | -0.107 | -0.050 | 45.839 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | C | 312 | GLN | 0 | -0.017 | 0.004 | 48.359 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | C | 313 | GLY | 0 | -0.004 | -0.008 | 49.654 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | C | 314 | VAL | 0 | -0.030 | 0.003 | 46.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | C | 315 | ASP | -1 | -0.781 | -0.886 | 46.941 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | C | 316 | GLY | 0 | -0.021 | -0.013 | 43.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | C | 317 | ILE | 0 | -0.024 | -0.012 | 39.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | C | 318 | TRP | 0 | 0.012 | -0.001 | 39.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | C | 319 | LEU | 0 | -0.027 | -0.009 | 34.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | C | 320 | ASP | -1 | -0.775 | -0.901 | 37.304 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | C | 321 | MET | 0 | -0.077 | -0.037 | 36.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | C | 322 | ASN | 0 | 0.012 | -0.007 | 32.700 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | C | 323 | GLU | -1 | -0.779 | -0.832 | 30.698 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | C | 324 | PRO | 0 | -0.054 | -0.040 | 28.295 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | C | 325 | THR | 0 | 0.023 | -0.023 | 31.347 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | C | 326 | ASP | -1 | -0.777 | -0.848 | 34.107 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | C | 327 | PHE | 0 | 0.012 | -0.005 | 35.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | C | 328 | SER | 0 | -0.086 | -0.063 | 36.094 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | C | 329 | ARG | 1 | 0.978 | 0.983 | 30.660 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | C | 330 | ALA | 0 | 0.015 | 0.009 | 37.570 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | C | 331 | ILE | 0 | -0.056 | -0.047 | 40.003 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | C | 332 | GLU | -1 | -0.894 | -0.933 | 38.295 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | C | 333 | ILE | 0 | -0.023 | -0.016 | 37.891 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | C | 334 | ARG | 1 | 0.909 | 0.951 | 42.312 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | C | 335 | ASP | -1 | -0.909 | -0.952 | 45.425 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | C | 336 | VAL | 0 | -0.050 | -0.023 | 43.836 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | C | 337 | LEU | 0 | -0.035 | -0.023 | 43.528 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | C | 338 | SER | 0 | -0.044 | 0.003 | 47.546 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | C | 339 | SER | 0 | -0.001 | -0.012 | 49.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | C | 340 | LEU | 0 | -0.020 | -0.003 | 48.049 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | C | 341 | PRO | 0 | 0.007 | 0.028 | 50.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | C | 342 | VAL | 0 | -0.056 | -0.040 | 47.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | C | 343 | GLN | 0 | 0.013 | 0.006 | 46.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | C | 344 | PHE | 0 | -0.013 | -0.010 | 42.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | C | 345 | ARG | 1 | 0.874 | 0.932 | 34.578 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | C | 346 | ASP | -1 | -0.815 | -0.890 | 39.106 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | C | 347 | ASP | -1 | -0.864 | -0.917 | 33.438 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | C | 348 | ARG | 1 | 0.881 | 0.901 | 34.113 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | C | 349 | LEU | 0 | -0.006 | 0.007 | 28.589 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | C | 350 | VAL | 0 | -0.025 | -0.002 | 31.585 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | C | 351 | THR | 0 | -0.046 | -0.033 | 34.128 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | C | 352 | THR | 0 | -0.024 | -0.007 | 29.153 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | C | 353 | PHE | 0 | 0.021 | -0.005 | 28.436 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | C | 354 | PRO | 0 | -0.017 | -0.001 | 28.988 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | C | 355 | ASP | -1 | -0.888 | -0.961 | 25.382 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | C | 356 | ASN | 0 | -0.051 | -0.016 | 24.907 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | C | 357 | VAL | 0 | 0.026 | 0.039 | 26.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | C | 358 | VAL | 0 | -0.044 | -0.021 | 22.746 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | C | 359 | HIS | 0 | -0.018 | -0.003 | 22.521 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | C | 360 | TYR | 0 | -0.050 | -0.055 | 21.613 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | C | 361 | LEU | 0 | -0.015 | 0.003 | 17.667 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | C | 362 | ARG | 1 | 0.805 | 0.883 | 14.584 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | C | 363 | GLY | 0 | 0.005 | 0.004 | 18.588 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | C | 364 | LYS | 1 | 0.908 | 0.980 | 11.738 | 0.679 | 0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | C | 365 | ARG | 1 | 0.834 | 0.904 | 18.143 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | C | 366 | VAL | 0 | -0.035 | -0.024 | 16.295 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | C | 367 | LYS | 1 | 0.981 | 0.983 | 18.658 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | C | 368 | HIS | 0 | 0.044 | 0.016 | 20.465 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | C | 369 | GLU | -1 | -0.825 | -0.913 | 19.752 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | C | 370 | LYS | 1 | 0.811 | 0.886 | 15.661 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | C | 371 | VAL | 0 | 0.000 | -0.003 | 18.074 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | C | 372 | ARG | 1 | 0.786 | 0.886 | 20.320 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | C | 373 | ASN | 0 | 0.038 | 0.011 | 22.012 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | C | 374 | ALA | 0 | 0.000 | 0.000 | 21.827 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | C | 375 | TYR | 0 | -0.026 | -0.015 | 23.833 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | C | 376 | PRO | 0 | 0.036 | 0.030 | 26.685 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | C | 377 | LEU | 0 | -0.042 | -0.002 | 23.356 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | C | 378 | TYR | 0 | -0.036 | -0.066 | 20.779 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | C | 379 | GLU | -1 | -0.795 | -0.891 | 27.602 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | C | 380 | ALA | 0 | 0.033 | 0.017 | 30.568 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | C | 381 | MET | 0 | -0.052 | -0.014 | 24.735 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | C | 382 | ALA | 0 | -0.007 | -0.003 | 30.337 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | C | 383 | THR | 0 | 0.025 | -0.001 | 32.449 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | C | 384 | PHE | 0 | 0.015 | 0.005 | 32.932 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | C | 385 | LYS | 1 | 0.843 | 0.905 | 31.469 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | C | 386 | GLY | 0 | 0.082 | 0.052 | 34.829 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | C | 387 | PHE | 0 | 0.039 | 0.018 | 38.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | C | 388 | ARG | 1 | 0.893 | 0.951 | 35.292 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | C | 389 | THR | 0 | -0.018 | -0.006 | 37.667 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | C | 390 | SER | 0 | -0.020 | -0.003 | 39.908 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | C | 391 | HIS | 0 | -0.080 | -0.034 | 41.869 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | C | 392 | ARG | 1 | 0.842 | 0.921 | 42.289 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | C | 393 | ASN | 0 | -0.020 | -0.032 | 41.582 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | C | 394 | GLU | -1 | -0.894 | -0.925 | 41.770 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | C | 395 | ILE | 0 | -0.011 | -0.009 | 37.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | C | 396 | PHE | 0 | -0.004 | -0.005 | 40.306 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | C | 397 | ILE | 0 | 0.014 | 0.010 | 35.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | C | 398 | LEU | 0 | -0.052 | 0.005 | 37.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | C | 399 | SER | 0 | 0.010 | 0.004 | 32.803 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | C | 400 | ARG | 1 | 0.825 | 0.892 | 35.552 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | C | 401 | ALA | 0 | 0.019 | 0.021 | 30.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | C | 402 | GLY | 0 | 0.005 | -0.015 | 28.915 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | C | 403 | TYR | 0 | -0.012 | -0.021 | 18.352 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | C | 404 | ALA | 0 | 0.027 | 0.013 | 21.468 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | C | 405 | GLY | 0 | 0.040 | 0.012 | 23.392 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | C | 406 | ILE | 0 | -0.024 | -0.009 | 25.123 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | C | 407 | GLN | 0 | 0.045 | 0.014 | 25.484 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | C | 408 | ARG | 1 | 0.806 | 0.895 | 22.557 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | C | 409 | TYR | 0 | -0.049 | -0.046 | 27.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | C | 410 | ALA | 0 | 0.001 | 0.006 | 32.449 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | C | 411 | PHE | 0 | -0.003 | 0.000 | 33.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | C | 412 | ILE | 0 | 0.008 | -0.003 | 31.360 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | C | 413 | TRP | 0 | -0.028 | -0.025 | 35.932 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | C | 414 | THR | 0 | -0.022 | -0.042 | 37.416 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | C | 415 | GLY | 0 | 0.040 | 0.040 | 38.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | C | 416 | ASP | -1 | -0.864 | -0.918 | 39.665 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | C | 417 | ASN | 0 | 0.010 | 0.016 | 42.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | C | 418 | THR | 0 | 0.043 | -0.001 | 43.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | C | 419 | PRO | 0 | -0.010 | 0.015 | 46.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | C | 420 | SER | 0 | 0.022 | -0.004 | 47.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | C | 421 | TRP | 0 | 0.007 | -0.005 | 49.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | C | 422 | ASP | -1 | -0.854 | -0.910 | 45.317 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | C | 423 | ASP | -1 | -0.744 | -0.820 | 43.654 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | C | 424 | LEU | 0 | -0.017 | 0.005 | 44.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | C | 425 | LYS | 1 | 0.946 | 0.966 | 43.562 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | C | 426 | LEU | 0 | 0.017 | 0.021 | 38.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | C | 427 | GLN | 0 | 0.014 | -0.011 | 39.710 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | C | 428 | LEU | 0 | -0.011 | 0.015 | 40.148 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | C | 429 | GLN | 0 | -0.034 | -0.035 | 36.793 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | C | 430 | LEU | 0 | -0.014 | 0.002 | 35.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | C | 431 | VAL | 0 | -0.007 | -0.005 | 35.270 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | C | 432 | LEU | 0 | 0.010 | -0.001 | 35.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | C | 433 | GLY | 0 | 0.004 | 0.015 | 32.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | C | 434 | LEU | 0 | -0.001 | 0.006 | 31.043 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | C | 435 | SER | 0 | -0.033 | -0.018 | 31.152 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | C | 436 | ILE | 0 | -0.075 | -0.034 | 30.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | C | 437 | SER | 0 | -0.031 | -0.041 | 27.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | C | 438 | GLY | 0 | 0.020 | 0.003 | 27.145 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | C | 439 | VAL | 0 | -0.021 | -0.005 | 28.672 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | C | 440 | PRO | 0 | 0.004 | 0.007 | 31.293 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | C | 441 | PHE | 0 | -0.025 | -0.024 | 34.541 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | C | 442 | VAL | 0 | 0.048 | 0.027 | 34.869 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | C | 443 | GLY | 0 | 0.023 | 0.006 | 37.916 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | C | 444 | CYS | 0 | 0.002 | 0.016 | 40.175 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | C | 445 | ASP | -1 | -0.775 | -0.863 | 42.625 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | C | 446 | ILE | 0 | -0.013 | -0.022 | 45.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | C | 447 | GLY | 0 | 0.028 | -0.013 | 48.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | C | 448 | GLY | 0 | -0.061 | -0.025 | 47.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | C | 449 | PHE | 0 | 0.048 | 0.029 | 45.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | C | 450 | GLN | 0 | -0.011 | -0.020 | 44.173 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | C | 451 | GLY | 0 | 0.033 | 0.012 | 48.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | C | 452 | ARG | 1 | 0.787 | 0.865 | 52.184 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | C | 453 | ASN | 0 | 0.040 | 0.027 | 47.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | C | 454 | PHE | 0 | -0.047 | -0.021 | 46.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | C | 455 | ALA | 0 | 0.027 | 0.004 | 51.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | C | 456 | GLU | -1 | -0.934 | -0.954 | 48.548 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | C | 457 | ILE | 0 | -0.014 | 0.000 | 49.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | C | 458 | ASP | -1 | -0.840 | -0.895 | 51.996 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | C | 459 | ASN | 0 | -0.001 | -0.019 | 53.629 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | C | 460 | SER | 0 | -0.044 | -0.041 | 55.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | C | 461 | MET | 0 | 0.049 | 0.006 | 56.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | C | 462 | ASP | -1 | -0.814 | -0.904 | 58.270 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | C | 463 | LEU | 0 | 0.000 | 0.013 | 51.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | C | 464 | LEU | 0 | 0.012 | 0.018 | 53.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | C | 465 | VAL | 0 | 0.002 | -0.004 | 53.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | C | 466 | LYS | 1 | 0.887 | 0.937 | 52.645 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | C | 467 | TYR | 0 | 0.008 | -0.019 | 46.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | C | 468 | TYR | 0 | -0.003 | -0.015 | 49.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | C | 469 | ALA | 0 | 0.008 | 0.014 | 50.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | C | 470 | LEU | 0 | -0.020 | 0.014 | 45.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | C | 471 | ALA | 0 | 0.038 | 0.009 | 45.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | C | 472 | LEU | 0 | -0.026 | 0.008 | 46.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | C | 473 | PHE | 0 | 0.022 | -0.011 | 45.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | C | 474 | PHE | 0 | -0.001 | 0.014 | 42.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | C | 475 | PRO | 0 | -0.010 | 0.000 | 39.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | C | 476 | PHE | 0 | 0.006 | -0.003 | 40.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | C | 477 | TYR | 0 | -0.015 | -0.020 | 42.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | C | 478 | ARG | 1 | 0.860 | 0.921 | 43.654 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | C | 479 | SER | 0 | -0.036 | 0.008 | 47.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | C | 480 | HIS | 0 | 0.027 | 0.027 | 45.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | C | 481 | LYS | 1 | 0.823 | 0.942 | 48.929 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | C | 482 | ALA | 0 | 0.031 | 0.012 | 48.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | C | 483 | THR | 0 | -0.029 | -0.039 | 50.119 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | C | 484 | ASP | -1 | -0.859 | -0.929 | 52.430 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | C | 485 | GLY | 0 | 0.060 | 0.033 | 53.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | C | 486 | ILE | 0 | -0.081 | -0.016 | 54.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | C | 487 | ASP | -1 | -0.908 | -0.956 | 56.283 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | C | 488 | THR | 0 | -0.009 | -0.013 | 54.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | C | 489 | GLU | -1 | -0.815 | -0.878 | 55.478 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | C | 490 | PRO | 0 | 0.048 | 0.006 | 56.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | C | 491 | VAL | 0 | -0.007 | -0.005 | 59.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | C | 492 | PHE | 0 | -0.051 | -0.013 | 59.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | C | 493 | LEU | 0 | -0.041 | -0.007 | 58.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | C | 494 | PRO | 0 | -0.002 | -0.010 | 63.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | C | 495 | ASP | -1 | -0.843 | -0.938 | 65.305 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | C | 496 | TYR | 0 | -0.036 | -0.012 | 64.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | C | 497 | TYR | 0 | 0.017 | -0.014 | 60.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | C | 498 | LYS | 1 | 0.871 | 0.955 | 61.171 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | C | 499 | GLU | -1 | -0.856 | -0.947 | 61.628 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | C | 500 | LYS | 1 | 0.870 | 0.935 | 59.692 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | C | 501 | VAL | 0 | -0.025 | -0.009 | 55.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | C | 502 | LYS | 1 | 0.840 | 0.921 | 57.309 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | C | 503 | GLU | -1 | -0.899 | -0.950 | 58.818 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | C | 504 | ILE | 0 | -0.051 | -0.022 | 53.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | C | 505 | VAL | 0 | -0.009 | -0.007 | 53.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | C | 506 | GLU | -1 | -0.857 | -0.924 | 54.640 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | C | 507 | LEU | 0 | -0.014 | -0.006 | 54.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | C | 508 | ARG | 1 | 0.800 | 0.888 | 45.203 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | C | 509 | TYR | 0 | -0.067 | -0.056 | 51.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | C | 510 | LYS | 1 | 0.867 | 0.933 | 53.321 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | C | 511 | PHE | 0 | 0.045 | 0.000 | 49.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | C | 512 | LEU | 0 | 0.017 | 0.031 | 47.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | C | 513 | PRO | 0 | -0.002 | 0.002 | 47.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | C | 514 | TYR | 0 | -0.017 | -0.013 | 44.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | C | 515 | ILE | 0 | 0.041 | 0.013 | 43.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | C | 516 | TYR | 0 | -0.024 | -0.033 | 42.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | C | 517 | SER | 0 | -0.018 | -0.027 | 42.878 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | C | 518 | LEU | 0 | -0.017 | 0.016 | 40.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | C | 519 | ALA | 0 | 0.007 | 0.012 | 38.966 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | C | 520 | LEU | 0 | -0.009 | 0.011 | 38.068 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | C | 521 | GLU | -1 | -0.830 | -0.895 | 36.771 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | C | 522 | ALA | 0 | -0.002 | 0.002 | 34.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | C | 523 | SER | 0 | -0.045 | -0.031 | 33.367 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | C | 524 | GLU | -1 | -0.840 | -0.903 | 33.503 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | C | 525 | LYS | 1 | 0.880 | 0.921 | 32.002 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | C | 526 | GLY | 0 | 0.049 | 0.023 | 30.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | C | 527 | HIS | 1 | 0.684 | 0.827 | 30.955 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | C | 528 | PRO | 0 | 0.050 | 0.037 | 32.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | C | 529 | VAL | 0 | 0.029 | 0.019 | 34.837 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | C | 530 | ILE | 0 | 0.005 | 0.015 | 38.212 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | C | 531 | ARG | 1 | 0.810 | 0.879 | 36.655 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | C | 532 | PRO | 0 | 0.074 | 0.066 | 34.834 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | C | 533 | LEU | 0 | 0.088 | 0.026 | 37.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | C | 534 | PHE | 0 | 0.023 | -0.002 | 32.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | C | 535 | TYR | 0 | -0.077 | -0.072 | 32.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | C | 536 | GLU | -1 | -0.810 | -0.889 | 35.490 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | C | 537 | PHE | 0 | -0.025 | -0.017 | 38.280 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | C | 538 | GLN | 0 | 0.022 | 0.019 | 31.096 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | C | 539 | ASP | -1 | -0.902 | -0.956 | 35.201 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | C | 540 | ASP | -1 | -0.804 | -0.887 | 36.974 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | C | 541 | ASP | -1 | -0.785 | -0.883 | 36.389 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | C | 542 | ASP | -1 | -0.867 | -0.918 | 38.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | C | 543 | MET | 0 | -0.033 | -0.021 | 38.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | C | 544 | TYR | 0 | -0.069 | -0.050 | 32.720 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | C | 545 | ARG | 1 | 0.902 | 0.951 | 37.313 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | C | 546 | ILE | 0 | -0.012 | 0.011 | 39.971 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | C | 547 | GLU | -1 | -0.784 | -0.885 | 37.701 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | C | 548 | ASP | -1 | -0.892 | -0.929 | 41.518 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | C | 549 | GLU | -1 | -0.800 | -0.912 | 43.650 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | C | 550 | TYR | 0 | -0.061 | -0.034 | 41.269 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | C | 551 | MET | 0 | -0.018 | 0.007 | 40.613 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | C | 552 | VAL | 0 | 0.022 | 0.015 | 41.389 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | C | 553 | GLY | 0 | 0.064 | 0.027 | 40.498 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | C | 554 | LYS | 1 | 0.846 | 0.896 | 38.203 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | C | 555 | TYR | 0 | 0.022 | 0.019 | 41.906 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | C | 556 | LEU | 0 | -0.006 | 0.020 | 45.650 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | C | 557 | LEU | 0 | 0.031 | 0.032 | 45.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | C | 558 | TYR | 0 | -0.062 | -0.065 | 46.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | C | 559 | ALA | 0 | 0.040 | 0.024 | 46.716 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | C | 560 | PRO | 0 | -0.003 | 0.006 | 46.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | C | 561 | ILE | 0 | 0.006 | 0.003 | 50.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | C | 562 | VAL | 0 | -0.037 | -0.012 | 47.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | C | 563 | SER | 0 | -0.028 | -0.063 | 50.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | C | 564 | LYS | 1 | 0.846 | 0.902 | 53.530 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | C | 565 | GLU | -1 | -0.934 | -0.921 | 54.065 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | C | 566 | GLU | -1 | -0.916 | -0.962 | 57.870 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | C | 567 | SER | 0 | -0.081 | -0.039 | 57.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | C | 568 | ARG | 1 | 0.836 | 0.894 | 47.927 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | C | 569 | LEU | 0 | -0.008 | -0.012 | 52.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | C | 570 | VAL | 0 | -0.033 | -0.018 | 49.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | C | 571 | THR | 0 | -0.016 | -0.017 | 46.237 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | C | 572 | LEU | 0 | 0.013 | 0.012 | 47.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | C | 573 | PRO | 0 | 0.041 | 0.020 | 43.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | C | 574 | ARG | 1 | 0.957 | 1.000 | 41.932 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | C | 575 | GLY | 0 | 0.005 | 0.005 | 46.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | C | 576 | LYS | 1 | 0.811 | 0.905 | 48.725 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | C | 577 | TRP | 0 | 0.006 | -0.017 | 45.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | C | 578 | TYR | 0 | -0.008 | -0.015 | 52.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | C | 579 | ASN | 0 | 0.000 | -0.016 | 54.127 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | C | 580 | TYR | 0 | -0.006 | -0.013 | 54.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | C | 581 | TRP | 0 | 0.002 | -0.001 | 55.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | C | 582 | ASN | 0 | -0.016 | -0.025 | 59.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | C | 583 | GLY | 0 | 0.018 | -0.001 | 59.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | C | 584 | GLU | -1 | -0.904 | -0.950 | 59.340 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | C | 585 | ILE | 0 | -0.038 | -0.011 | 55.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | C | 586 | ILE | 0 | -0.011 | 0.003 | 54.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | C | 587 | ASN | 0 | -0.025 | -0.022 | 53.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | C | 588 | GLY | 0 | 0.029 | -0.001 | 49.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | C | 589 | LYS | 1 | 0.665 | 0.801 | 43.998 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | C | 590 | SER | 0 | -0.031 | -0.022 | 48.848 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | C | 591 | VAL | 0 | 0.014 | 0.008 | 50.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | C | 592 | VAL | 0 | 0.007 | 0.012 | 52.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | C | 593 | LYS | 1 | 0.953 | 0.991 | 54.675 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | C | 594 | SER | 0 | 0.016 | 0.019 | 54.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | C | 595 | THR | 0 | -0.020 | -0.023 | 56.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | C | 596 | HIS | 0 | 0.042 | 0.034 | 57.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | C | 597 | GLU | -1 | -0.761 | -0.863 | 57.317 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | C | 598 | LEU | 0 | -0.008 | -0.009 | 53.692 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | C | 599 | PRO | 0 | -0.025 | -0.017 | 52.256 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | C | 600 | ILE | 0 | 0.016 | 0.022 | 51.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | C | 601 | TYR | 0 | 0.010 | 0.000 | 50.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | C | 602 | LEU | 0 | -0.020 | 0.002 | 49.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | C | 603 | ARG | 1 | 0.893 | 0.953 | 41.746 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | C | 604 | GLU | -1 | -0.878 | -0.927 | 49.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | C | 605 | GLY | 0 | 0.002 | 0.001 | 48.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | C | 606 | SER | 0 | -0.076 | -0.082 | 47.349 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | C | 607 | ILE | 0 | -0.018 | -0.014 | 48.482 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | C | 608 | ILE | 0 | -0.022 | -0.015 | 48.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | C | 609 | PRO | 0 | -0.005 | -0.001 | 48.731 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | C | 610 | LEU | 0 | -0.011 | -0.006 | 51.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | C | 611 | GLU | -1 | -0.834 | -0.898 | 53.933 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | C | 612 | GLY | 0 | -0.003 | -0.002 | 55.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | C | 613 | ASP | -1 | -0.870 | -0.924 | 55.819 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | C | 614 | GLU | -1 | -0.783 | -0.863 | 57.281 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | C | 615 | LEU | 0 | -0.009 | -0.002 | 52.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | C | 616 | ILE | 0 | 0.019 | 0.011 | 53.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | C | 617 | VAL | 0 | 0.010 | 0.001 | 53.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | C | 618 | TYR | 0 | 0.036 | 0.021 | 52.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | C | 619 | GLY | 0 | 0.049 | 0.049 | 51.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | C | 620 | GLU | -1 | -0.943 | -0.965 | 50.051 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | C | 621 | THR | 0 | -0.017 | -0.017 | 45.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | C | 622 | SER | 0 | -0.028 | -0.021 | 44.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | C | 623 | PHE | 0 | -0.018 | -0.007 | 43.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | C | 624 | LYS | 1 | 0.842 | 0.911 | 39.777 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | C | 625 | ARG | 1 | 0.840 | 0.896 | 44.514 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | C | 626 | TYR | 0 | 0.049 | -0.004 | 44.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | C | 627 | ASP | -1 | -0.791 | -0.862 | 45.059 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | C | 628 | ASN | 0 | -0.035 | -0.023 | 44.581 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | C | 629 | ALA | 0 | -0.026 | 0.012 | 45.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | C | 630 | GLU | -1 | -0.902 | -0.942 | 44.281 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | C | 631 | ILE | 0 | -0.018 | -0.010 | 47.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | C | 632 | THR | 0 | -0.006 | -0.005 | 47.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | C | 633 | SER | 0 | -0.007 | -0.007 | 50.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | C | 634 | SER | 0 | -0.052 | -0.033 | 51.109 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | C | 635 | SER | 0 | 0.027 | 0.005 | 53.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | C | 636 | ASN | 0 | -0.041 | -0.013 | 56.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | C | 637 | GLU | -1 | -0.826 | -0.909 | 56.497 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | C | 638 | ILE | 0 | 0.013 | 0.008 | 53.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | C | 639 | LYS | 1 | 0.895 | 0.940 | 52.566 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | C | 640 | PHE | 0 | 0.026 | 0.000 | 52.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | C | 641 | SER | 0 | -0.022 | -0.005 | 48.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | C | 642 | ARG | 1 | 0.841 | 0.901 | 49.593 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | C | 643 | GLU | -1 | -0.826 | -0.896 | 53.287 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | C | 644 | ILE | 0 | -0.037 | -0.017 | 53.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | C | 645 | TYR | 0 | -0.043 | -0.011 | 56.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | C | 646 | VAL | 0 | 0.042 | 0.022 | 57.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | C | 647 | SER | 0 | -0.024 | -0.016 | 59.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | C | 648 | LYS | 1 | 0.838 | 0.913 | 60.920 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | C | 649 | LEU | 0 | 0.031 | 0.024 | 57.712 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | C | 650 | THR | 0 | -0.037 | -0.031 | 58.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | C | 651 | ILE | 0 | 0.011 | -0.004 | 58.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | C | 652 | THR | 0 | -0.017 | 0.008 | 56.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | C | 653 | SER | 0 | 0.024 | -0.017 | 57.585 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | C | 654 | GLU | -1 | -0.823 | -0.906 | 57.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | C | 655 | LYS | 1 | 0.906 | 0.964 | 60.054 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | C | 656 | PRO | 0 | -0.006 | 0.000 | 63.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | C | 657 | VAL | 0 | 0.005 | 0.005 | 62.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | C | 658 | SER | 0 | -0.013 | -0.012 | 65.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | C | 659 | LYS | 1 | 0.824 | 0.900 | 67.704 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | C | 660 | ILE | 0 | 0.010 | 0.003 | 62.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | C | 661 | ILE | 0 | 0.026 | 0.013 | 64.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | C | 662 | VAL | 0 | -0.026 | -0.019 | 62.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | C | 663 | ASP | -1 | -0.775 | -0.900 | 60.900 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | C | 664 | ASP | -1 | -0.868 | -0.921 | 63.419 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | C | 665 | SER | 0 | -0.066 | -0.037 | 66.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | C | 666 | LYS | 1 | 0.917 | 0.974 | 68.100 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | C | 667 | GLU | -1 | -0.793 | -0.882 | 67.940 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | C | 668 | ILE | 0 | -0.091 | -0.041 | 66.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | C | 669 | GLN | 0 | -0.007 | -0.004 | 68.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | C | 670 | VAL | 0 | -0.040 | -0.008 | 65.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | C | 671 | GLU | -1 | -0.852 | -0.905 | 67.597 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | C | 672 | LYS | 1 | 0.912 | 0.957 | 66.389 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | C | 673 | THR | 0 | 0.004 | 0.003 | 64.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | C | 674 | MET | 0 | 0.012 | 0.012 | 61.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | C | 675 | GLN | 0 | -0.020 | 0.011 | 62.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | C | 676 | ASN | 0 | -0.050 | -0.023 | 60.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | C | 677 | THR | 0 | 0.019 | 0.020 | 60.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | C | 678 | TYR | 0 | 0.004 | -0.008 | 62.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | C | 679 | VAL | 0 | 0.028 | 0.015 | 62.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | C | 680 | ALA | 0 | 0.025 | 0.005 | 63.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | C | 681 | LYS | 1 | 0.835 | 0.891 | 64.140 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | C | 682 | ILE | 0 | 0.007 | 0.012 | 61.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | C | 683 | ASN | 0 | -0.048 | -0.025 | 64.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | C | 684 | GLN | 0 | -0.026 | -0.026 | 63.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | C | 685 | LYS | 1 | 0.839 | 0.907 | 60.730 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | C | 686 | ILE | 0 | 0.010 | 0.017 | 58.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | C | 687 | ARG | 1 | 0.922 | 0.956 | 58.300 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | C | 688 | GLY | 0 | 0.012 | 0.001 | 56.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | C | 689 | LYS | 1 | 0.755 | 0.875 | 56.204 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | C | 690 | ILE | 0 | 0.029 | 0.028 | 58.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | C | 691 | ASN | 0 | -0.032 | -0.003 | 59.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | C | 692 | LEU | 0 | 0.022 | 0.011 | 59.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | C | 693 | GLU | -1 | -0.874 | -0.939 | 62.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |