FMODB ID: JQKG9
Calculation Name: 5IKL-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5IKL
Chain ID: B
UniProt ID: Q9HZV9
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 523 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9653134.807745 |
---|---|
FMO2-HF: Nuclear repulsion | 9457609.036363 |
FMO2-HF: Total energy | -195525.771381 |
FMO2-MP2: Total energy | -196095.649956 |
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(B:2:PRO)
Summations of interaction energy for
fragment #1(B:2:PRO)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-9.073 | -2.858 | 1.11 | -2.988 | -4.337 | -0.023 |
Interaction energy analysis for fragmet #1(B:2:PRO)
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 | B | 4 | ILE | 0 | -0.009 | -0.004 | 3.857 | 1.211 | 2.571 | -0.013 | -0.579 | -0.768 | 0.002 |
4 | B | 5 | GLN | 0 | -0.048 | -0.019 | 6.066 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | SER | 0 | -0.052 | -0.040 | 8.973 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | GLU | -1 | -0.937 | -0.978 | 12.440 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | LEU | 0 | -0.086 | -0.032 | 15.633 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASP | -1 | -0.825 | -0.920 | 18.029 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | VAL | 0 | -0.029 | -0.025 | 19.358 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | ASN | 0 | -0.097 | -0.046 | 22.050 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | GLY | 0 | 0.076 | 0.059 | 24.583 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | GLU | -1 | -0.876 | -0.945 | 26.050 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | ASP | -1 | -0.823 | -0.894 | 24.199 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | PHE | 0 | 0.022 | 0.036 | 21.328 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | ALA | 0 | -0.001 | -0.003 | 24.554 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | ARG | 1 | 0.892 | 0.924 | 28.021 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ASN | 0 | -0.014 | 0.006 | 23.187 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | ARG | 1 | 0.872 | 0.924 | 25.250 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | GLU | -1 | -0.960 | -0.974 | 27.153 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ALA | 0 | 0.009 | 0.000 | 29.742 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | MET | 0 | -0.024 | 0.007 | 24.338 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | LEU | 0 | -0.016 | -0.013 | 28.871 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | ALA | 0 | 0.007 | 0.011 | 30.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | ALA | 0 | -0.018 | -0.006 | 30.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | VAL | 0 | -0.045 | -0.039 | 28.330 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | ALA | 0 | -0.008 | 0.000 | 31.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | GLY | 0 | 0.041 | 0.024 | 34.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | PHE | 0 | -0.045 | -0.030 | 30.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | ARG | 1 | 0.931 | 0.962 | 30.206 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | GLU | -1 | -0.895 | -0.939 | 36.013 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | LEU | 0 | -0.046 | -0.034 | 38.827 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | GLU | -1 | -0.830 | -0.890 | 34.950 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | GLN | 0 | 0.015 | 0.001 | 38.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | LYS | 1 | 1.003 | 1.012 | 41.292 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | VAL | 0 | -0.095 | -0.053 | 42.362 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | LEU | 0 | -0.021 | -0.014 | 39.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | ASP | -1 | -0.852 | -0.927 | 44.332 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | LYS | 1 | 0.738 | 0.852 | 47.208 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | ALA | 0 | 0.001 | -0.006 | 46.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | ALA | 0 | 0.048 | 0.025 | 48.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | GLU | -1 | -0.802 | -0.886 | 50.083 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | ALA | 0 | -0.048 | -0.008 | 51.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | ARG | 1 | 0.869 | 0.915 | 49.533 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | PRO | 0 | 0.009 | 0.005 | 53.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | LYS | 1 | 0.794 | 0.870 | 56.296 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PHE | 0 | 0.013 | 0.007 | 52.108 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | GLU | -1 | -0.782 | -0.870 | 54.355 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | LYS | 1 | 0.883 | 0.938 | 56.742 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | ARG | 1 | 0.922 | 0.978 | 58.049 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | GLY | 0 | 0.045 | 0.020 | 57.508 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | GLN | 0 | -0.139 | -0.078 | 53.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | LEU | 0 | -0.014 | 0.002 | 48.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | LEU | 0 | 0.029 | -0.005 | 47.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | PRO | 0 | -0.017 | -0.015 | 45.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ARG | 1 | 0.860 | 0.885 | 37.303 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | GLU | -1 | -0.791 | -0.865 | 42.878 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | ARG | 1 | 0.759 | 0.863 | 45.117 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | LEU | 0 | 0.040 | 0.006 | 39.963 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | ALA | 0 | -0.038 | -0.015 | 40.499 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | LEU | 0 | -0.023 | -0.001 | 41.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | LEU | 0 | 0.004 | 0.003 | 40.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.004 | -0.001 | 35.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | ASP | -1 | -0.766 | -0.873 | 35.401 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | PRO | 0 | -0.013 | -0.020 | 35.808 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | -0.012 | 0.001 | 33.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | ALA | 0 | -0.032 | 0.002 | 31.337 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | PRO | 0 | -0.022 | -0.005 | 27.346 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | PHE | 0 | 0.006 | -0.018 | 29.863 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | LEU | 0 | -0.029 | 0.004 | 26.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | GLU | -1 | -0.796 | -0.869 | 30.168 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | LEU | 0 | 0.018 | 0.009 | 30.439 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | SER | 0 | -0.024 | -0.038 | 33.299 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.021 | -0.028 | 34.967 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | LEU | 0 | 0.036 | 0.013 | 36.228 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | ALA | 0 | 0.011 | 0.013 | 38.303 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | GLY | 0 | 0.001 | -0.017 | 39.562 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | TYR | 0 | -0.045 | -0.029 | 40.971 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | LYS | 1 | 0.915 | 0.960 | 43.004 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | LEU | 0 | 0.004 | 0.014 | 41.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | HIS | 0 | -0.020 | 0.007 | 46.146 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 89 | ALA | 0 | -0.059 | -0.039 | 42.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 90 | GLY | 0 | 0.094 | 0.054 | 40.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 91 | GLY | 0 | -0.057 | -0.031 | 41.311 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 92 | GLY | 0 | 0.062 | 0.028 | 43.709 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 93 | ILE | 0 | -0.076 | -0.034 | 41.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 94 | ILE | 0 | -0.032 | 0.002 | 39.280 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 95 | ALA | 0 | 0.022 | -0.005 | 37.854 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 96 | GLY | 0 | 0.023 | 0.008 | 33.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 97 | ILE | 0 | -0.005 | 0.012 | 29.500 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 98 | GLY | 0 | 0.036 | 0.022 | 31.037 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 99 | TYR | 0 | -0.029 | 0.004 | 28.261 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 100 | ILE | 0 | 0.013 | 0.001 | 34.371 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 101 | ALA | 0 | 0.040 | 0.026 | 37.125 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 102 | GLY | 0 | -0.010 | -0.001 | 34.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 103 | VAL | 0 | -0.021 | -0.003 | 33.434 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 104 | ARG | 1 | 0.757 | 0.864 | 25.365 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 105 | CYS | 0 | -0.021 | -0.016 | 32.798 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 106 | LEU | 0 | -0.008 | -0.001 | 34.025 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 107 | VAL | 0 | -0.002 | 0.003 | 35.689 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 108 | SER | 0 | -0.004 | -0.020 | 37.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 109 | ALA | 0 | 0.072 | 0.037 | 40.741 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 110 | SER | 0 | -0.010 | 0.007 | 43.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 111 | ASN | 0 | 0.002 | -0.003 | 44.473 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 112 | SER | 0 | 0.004 | -0.038 | 46.525 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 113 | ALA | 0 | -0.025 | -0.002 | 48.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 114 | ILE | 0 | -0.013 | -0.004 | 46.191 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 115 | LYS | 1 | 0.901 | 0.948 | 48.914 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 116 | GLY | 0 | 0.083 | 0.072 | 52.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 117 | GLY | 0 | 0.011 | 0.002 | 49.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 118 | THR | 0 | -0.109 | -0.070 | 49.063 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 119 | ILE | 0 | 0.016 | 0.025 | 46.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 120 | SER | 0 | 0.028 | 0.018 | 45.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 121 | PRO | 0 | 0.081 | 0.024 | 46.656 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 122 | THR | 0 | 0.010 | -0.002 | 41.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 123 | GLY | 0 | 0.038 | 0.024 | 41.949 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 124 | LEU | 0 | -0.016 | 0.013 | 43.225 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 125 | LYS | 1 | 0.969 | 0.985 | 40.488 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 126 | LYS | 1 | 0.871 | 0.944 | 37.362 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 127 | THR | 0 | -0.060 | -0.041 | 38.894 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 128 | LEU | 0 | -0.003 | -0.004 | 40.178 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 129 | ARG | 1 | 0.794 | 0.878 | 29.487 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 130 | LEU | 0 | -0.001 | -0.004 | 35.283 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 131 | GLN | 0 | -0.004 | -0.011 | 36.408 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 132 | GLN | 0 | -0.029 | -0.011 | 32.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 133 | ILE | 0 | -0.012 | -0.001 | 30.981 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 134 | ALA | 0 | 0.035 | 0.017 | 32.494 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 135 | MET | 0 | -0.028 | -0.020 | 34.757 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 136 | GLU | -1 | -0.835 | -0.908 | 30.206 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 137 | ASN | 0 | -0.060 | -0.052 | 28.044 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 138 | LYS | 1 | 0.833 | 0.921 | 30.571 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 139 | LEU | 0 | -0.010 | -0.006 | 30.597 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 140 | PRO | 0 | 0.025 | 0.010 | 34.544 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 141 | VAL | 0 | -0.016 | -0.001 | 37.597 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 142 | VAL | 0 | 0.012 | 0.014 | 39.786 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 143 | THR | 0 | -0.042 | -0.032 | 41.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 144 | LEU | 0 | -0.016 | 0.002 | 43.848 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 145 | THR | 0 | -0.010 | -0.018 | 46.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 146 | GLU | -1 | -0.763 | -0.858 | 49.014 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 147 | SER | 0 | -0.014 | -0.007 | 50.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 148 | GLY | 0 | 0.027 | 0.037 | 52.216 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 149 | GLY | 0 | 0.007 | 0.009 | 53.191 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 150 | ALA | 0 | -0.006 | 0.003 | 51.564 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 151 | ASN | 0 | 0.008 | -0.006 | 51.881 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 152 | LEU | 0 | 0.058 | 0.029 | 53.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 153 | ASN | 0 | -0.061 | -0.041 | 55.267 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 154 | TYR | 0 | 0.013 | 0.004 | 50.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 155 | ALA | 0 | 0.021 | 0.015 | 52.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 156 | ALA | 0 | -0.010 | -0.017 | 54.478 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 157 | GLU | -1 | -0.945 | -0.953 | 49.553 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 158 | ILE | 0 | -0.028 | -0.035 | 49.165 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 159 | PHE | 0 | -0.005 | 0.006 | 50.677 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 160 | VAL | 0 | 0.010 | 0.012 | 51.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 161 | GLU | -1 | -0.905 | -0.971 | 47.106 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 162 | GLY | 0 | 0.028 | 0.004 | 47.556 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 163 | ALA | 0 | 0.008 | 0.010 | 48.820 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 164 | ARG | 1 | 0.921 | 0.958 | 44.585 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 165 | GLY | 0 | 0.049 | 0.038 | 44.763 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 166 | PHE | 0 | 0.043 | 0.018 | 45.787 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 167 | ALA | 0 | -0.008 | -0.008 | 47.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 168 | ASN | 0 | -0.037 | -0.038 | 41.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 169 | GLN | 0 | -0.030 | -0.016 | 43.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 170 | ALA | 0 | 0.022 | 0.025 | 45.335 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 171 | ARG | 1 | 0.923 | 0.956 | 42.517 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 172 | ILE | 0 | 0.018 | 0.004 | 39.808 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 173 | SER | 0 | 0.018 | -0.005 | 41.880 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 174 | ALA | 0 | -0.014 | -0.005 | 44.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 175 | MET | 0 | -0.046 | -0.023 | 36.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 176 | GLY | 0 | 0.004 | 0.007 | 39.941 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 177 | ILE | 0 | -0.081 | -0.038 | 36.445 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 178 | PRO | 0 | -0.011 | 0.011 | 39.590 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 179 | GLN | 0 | -0.036 | -0.032 | 41.299 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 180 | VAL | 0 | 0.012 | 0.003 | 43.520 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 181 | THR | 0 | -0.020 | -0.003 | 44.953 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 182 | VAL | 0 | 0.018 | 0.023 | 46.993 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 183 | VAL | 0 | 0.008 | -0.016 | 49.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 184 | HIS | 0 | -0.008 | -0.017 | 48.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 185 | GLY | 0 | 0.059 | 0.024 | 52.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 186 | SER | 0 | -0.096 | -0.054 | 55.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 187 | SER | 0 | 0.006 | -0.018 | 52.853 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 188 | THR | 0 | 0.020 | 0.009 | 54.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 189 | ALA | 0 | 0.022 | 0.013 | 56.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 190 | GLY | 0 | 0.009 | 0.003 | 55.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 191 | GLY | 0 | 0.022 | 0.007 | 52.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 192 | ALA | 0 | 0.020 | 0.025 | 52.986 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 193 | TYR | 0 | 0.014 | -0.008 | 52.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 194 | GLN | 0 | 0.007 | 0.030 | 46.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 195 | PRO | 0 | 0.009 | 0.005 | 49.147 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 196 | GLY | 0 | 0.021 | 0.015 | 51.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 197 | LEU | 0 | -0.042 | -0.024 | 49.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 198 | SER | 0 | 0.008 | -0.007 | 47.017 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 199 | ASP | -1 | -0.756 | -0.850 | 45.368 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 200 | TYR | 0 | -0.021 | 0.004 | 45.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 201 | VAL | 0 | -0.032 | -0.014 | 48.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 202 | VAL | 0 | -0.001 | 0.006 | 49.561 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 203 | VAL | 0 | -0.013 | 0.001 | 52.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 204 | VAL | 0 | -0.019 | -0.007 | 53.569 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 205 | ARG | 1 | 0.820 | 0.849 | 56.278 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 206 | GLY | 0 | -0.006 | 0.011 | 60.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 207 | LYS | 1 | 0.747 | 0.878 | 55.797 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 208 | ALA | 0 | -0.017 | 0.005 | 56.159 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 209 | LYS | 1 | 0.882 | 0.937 | 57.567 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 210 | MET | 0 | -0.029 | -0.009 | 55.675 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 211 | PHE | 0 | 0.036 | 0.030 | 58.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 212 | LEU | 0 | 0.008 | -0.001 | 58.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 213 | ALA | 0 | -0.008 | -0.013 | 61.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 214 | GLY | 0 | 0.044 | 0.029 | 63.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 215 | PRO | 0 | 0.015 | 0.000 | 65.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 216 | PRO | 0 | -0.019 | 0.003 | 66.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 217 | LEU | 0 | 0.036 | -0.014 | 68.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 218 | LEU | 0 | -0.022 | 0.004 | 62.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 219 | LYS | 1 | 0.861 | 0.931 | 66.436 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 220 | ALA | 0 | -0.020 | -0.007 | 69.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 221 | ALA | 0 | -0.027 | -0.015 | 70.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 222 | THR | 0 | -0.037 | -0.018 | 71.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 223 | GLY | 0 | 0.015 | 0.007 | 73.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 224 | GLU | -1 | -0.856 | -0.911 | 72.266 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 225 | ILE | 0 | -0.042 | -0.029 | 73.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 226 | ALA | 0 | 0.025 | 0.024 | 70.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 227 | SER | 0 | -0.013 | -0.020 | 69.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 228 | ASP | -1 | -0.852 | -0.945 | 64.239 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 229 | GLU | -1 | -0.800 | -0.920 | 63.049 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 230 | GLU | -1 | -0.870 | -0.927 | 65.475 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 231 | LEU | 0 | -0.015 | 0.001 | 66.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 232 | GLY | 0 | -0.041 | -0.037 | 62.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 233 | GLY | 0 | 0.042 | 0.027 | 61.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 234 | ALA | 0 | -0.027 | -0.009 | 59.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 235 | GLU | -1 | -0.864 | -0.932 | 60.365 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 236 | LEU | 0 | 0.012 | 0.014 | 63.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 237 | HIS | 0 | 0.006 | -0.005 | 59.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 238 | ALA | 0 | -0.027 | -0.006 | 58.992 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 239 | GLN | 0 | -0.056 | -0.025 | 60.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 240 | VAL | 0 | -0.053 | -0.017 | 63.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 241 | ALA | 0 | -0.025 | -0.015 | 62.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 242 | GLY | 0 | 0.013 | 0.023 | 60.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 243 | THR | 0 | -0.069 | -0.062 | 56.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 244 | ALA | 0 | -0.031 | -0.026 | 54.796 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 245 | GLU | -1 | -0.776 | -0.850 | 52.529 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 246 | TYR | 0 | -0.021 | -0.012 | 50.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 247 | LEU | 0 | 0.031 | 0.014 | 54.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 248 | ALA | 0 | -0.002 | 0.005 | 53.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 249 | GLU | -1 | -0.794 | -0.860 | 55.806 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 250 | ASN | 0 | -0.025 | -0.026 | 53.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 251 | ASP | -1 | -0.705 | -0.857 | 50.993 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 252 | ALA | 0 | 0.061 | 0.024 | 49.418 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 253 | ASP | -1 | -0.829 | -0.887 | 49.663 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 254 | GLY | 0 | 0.058 | 0.020 | 51.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 255 | VAL | 0 | -0.028 | -0.015 | 44.942 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 256 | ARG | 1 | 0.794 | 0.869 | 46.116 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 257 | LEU | 0 | 0.008 | 0.000 | 47.157 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 258 | ALA | 0 | 0.008 | 0.006 | 44.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 259 | ARG | 1 | 0.806 | 0.886 | 39.366 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 260 | GLU | -1 | -0.867 | -0.914 | 43.735 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 261 | ILE | 0 | -0.049 | -0.021 | 45.077 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 262 | VAL | 0 | -0.011 | -0.021 | 39.333 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 263 | GLY | 0 | 0.004 | -0.006 | 41.164 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 264 | MET | 0 | -0.039 | -0.007 | 42.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 265 | LEU | 0 | -0.010 | 0.017 | 40.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 266 | PRO | 0 | 0.010 | 0.013 | 40.121 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 267 | TRP | 0 | 0.009 | -0.019 | 34.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 268 | ASN | 0 | 0.026 | -0.016 | 33.177 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 269 | ALA | 0 | -0.005 | 0.001 | 33.658 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 270 | GLN | 0 | -0.039 | -0.013 | 35.198 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 271 | LEU | 0 | -0.043 | -0.007 | 29.390 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 272 | PRO | 0 | 0.008 | 0.018 | 28.283 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 273 | ALA | 0 | 0.007 | -0.002 | 28.598 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 274 | ARG | 1 | 0.913 | 0.958 | 18.686 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 275 | PRO | 0 | 0.010 | 0.012 | 23.556 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 276 | ALA | 0 | 0.057 | 0.024 | 18.938 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 277 | ARG | 1 | 0.867 | 0.907 | 18.112 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 278 | SER | 0 | -0.026 | -0.001 | 15.407 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 279 | TRP | 0 | 0.016 | 0.011 | 12.270 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 280 | ARG | 1 | 0.916 | 0.961 | 9.406 | 0.730 | 0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 281 | GLU | -1 | -0.727 | -0.840 | 11.216 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 282 | PRO | 0 | -0.039 | -0.010 | 10.263 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 283 | LEU | 0 | -0.024 | -0.016 | 6.744 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 284 | TYR | 0 | -0.027 | -0.013 | 9.354 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 285 | PRO | 0 | -0.006 | 0.004 | 14.020 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 286 | VAL | 0 | 0.051 | 0.004 | 17.169 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 287 | GLU | -1 | -0.771 | -0.874 | 18.495 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 288 | GLU | -1 | -0.781 | -0.892 | 17.079 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 289 | LEU | 0 | -0.015 | -0.006 | 16.612 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 290 | LEU | 0 | -0.078 | -0.040 | 20.150 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 291 | GLY | 0 | 0.027 | -0.005 | 22.200 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 292 | VAL | 0 | -0.022 | -0.001 | 17.268 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 293 | VAL | 0 | -0.047 | -0.018 | 20.010 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 294 | PRO | 0 | -0.034 | -0.016 | 21.842 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 295 | ALA | 0 | 0.031 | 0.014 | 24.965 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 296 | ASP | -1 | -0.896 | -0.942 | 28.421 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 297 | PRO | 0 | -0.026 | -0.022 | 27.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 298 | LYS | 1 | 0.901 | 0.939 | 27.847 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 299 | LYS | 1 | 0.831 | 0.919 | 24.008 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 300 | PRO | 0 | -0.015 | -0.017 | 22.220 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 301 | TYR | 0 | 0.015 | 0.004 | 18.148 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 302 | ASP | -1 | -0.736 | -0.846 | 13.268 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 303 | VAL | 0 | 0.009 | -0.006 | 14.408 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 304 | ARG | 1 | 0.791 | 0.841 | 9.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 305 | GLU | -1 | -0.694 | -0.805 | 11.630 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 306 | ILE | 0 | -0.031 | -0.009 | 13.814 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 307 | VAL | 0 | 0.004 | -0.001 | 9.269 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 308 | ALA | 0 | 0.017 | 0.013 | 9.655 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 309 | ARG | 1 | 0.763 | 0.850 | 10.687 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 310 | ILE | 0 | -0.033 | -0.025 | 12.659 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 311 | ALA | 0 | 0.012 | 0.023 | 8.124 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 312 | ASP | -1 | -0.734 | -0.872 | 8.995 | -0.790 | -0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 313 | GLY | 0 | -0.012 | -0.007 | 7.020 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 314 | SER | 0 | -0.041 | -0.034 | 6.649 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 315 | GLU | -1 | -0.985 | -0.979 | 2.654 | -11.750 | -7.643 | 1.119 | -2.243 | -2.983 | -0.025 |
308 | B | 316 | PHE | 0 | -0.020 | -0.016 | 3.653 | 0.949 | 1.386 | 0.003 | -0.099 | -0.341 | 0.000 |
309 | B | 317 | LEU | 0 | -0.021 | 0.004 | 4.103 | -0.120 | 0.167 | 0.002 | -0.065 | -0.224 | 0.000 |
310 | B | 318 | ASP | -1 | -0.813 | -0.890 | 4.966 | -0.041 | -0.017 | -0.001 | -0.002 | -0.021 | 0.000 |
311 | B | 319 | PHE | 0 | 0.000 | -0.009 | 7.716 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 320 | LYS | 1 | 0.866 | 0.918 | 10.857 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 321 | ASN | 0 | 0.007 | -0.006 | 11.729 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 322 | GLU | -1 | -0.834 | -0.916 | 12.913 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 323 | PHE | 0 | -0.100 | -0.036 | 15.961 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 324 | ASP | -1 | -0.796 | -0.907 | 17.392 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 325 | GLY | 0 | 0.075 | 0.051 | 16.050 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 326 | GLN | 0 | -0.015 | 0.000 | 17.071 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 327 | THR | 0 | -0.015 | -0.008 | 18.405 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 328 | VAL | 0 | 0.027 | 0.033 | 12.143 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 329 | CYS | 0 | -0.044 | -0.026 | 12.845 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 330 | GLY | 0 | 0.050 | 0.031 | 9.222 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 331 | HIS | 0 | 0.017 | 0.002 | 8.150 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 332 | LEU | 0 | 0.026 | 0.015 | 7.010 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 333 | ARG | 1 | 0.879 | 0.931 | 8.370 | 1.071 | 1.071 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 334 | ILE | 0 | 0.028 | 0.019 | 10.417 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 335 | GLU | -1 | -0.876 | -0.954 | 13.248 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 336 | GLY | 0 | -0.033 | -0.012 | 12.973 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 337 | HIS | 0 | -0.004 | 0.003 | 13.673 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 338 | ALA | 0 | -0.013 | -0.007 | 11.959 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 339 | CYS | 0 | -0.018 | -0.007 | 12.011 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 340 | GLY | 0 | 0.059 | 0.037 | 11.788 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 341 | LEU | 0 | -0.059 | -0.027 | 12.105 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 342 | ILE | 0 | -0.005 | -0.017 | 13.832 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 343 | GLY | 0 | 0.039 | 0.020 | 16.218 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 344 | ASN | 0 | -0.069 | -0.063 | 17.418 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 345 | ASN | 0 | 0.059 | 0.030 | 14.951 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 346 | GLY | 0 | 0.001 | -0.005 | 19.417 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 347 | PRO | 0 | -0.041 | -0.022 | 22.823 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 348 | ILE | 0 | 0.016 | 0.016 | 22.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 349 | THR | 0 | 0.044 | 0.009 | 22.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 350 | PRO | 0 | -0.017 | -0.017 | 24.779 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 351 | GLN | 0 | 0.015 | 0.001 | 21.851 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 352 | GLY | 0 | 0.057 | 0.028 | 20.131 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 353 | ALA | 0 | 0.015 | -0.006 | 20.822 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 354 | ALA | 0 | -0.030 | -0.014 | 22.951 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 355 | LYS | 1 | 0.774 | 0.893 | 14.081 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 356 | ALA | 0 | 0.079 | 0.027 | 18.331 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 357 | ALA | 0 | -0.017 | -0.006 | 19.489 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 358 | GLN | 0 | 0.013 | 0.012 | 18.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 359 | PHE | 0 | 0.019 | 0.005 | 11.945 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 360 | ILE | 0 | 0.028 | 0.016 | 17.088 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 361 | GLN | 0 | -0.028 | -0.018 | 19.630 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 362 | LEU | 0 | -0.040 | -0.016 | 15.331 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 363 | CYS | 0 | -0.023 | 0.000 | 15.763 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 364 | GLU | -1 | -0.779 | -0.872 | 17.497 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 365 | GLN | 0 | -0.073 | -0.034 | 19.489 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 366 | SER | 0 | -0.054 | -0.037 | 15.862 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 367 | ASN | 0 | -0.052 | -0.036 | 18.001 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 368 | THR | 0 | -0.049 | -0.010 | 13.937 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 369 | PRO | 0 | 0.005 | 0.002 | 16.795 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 370 | LEU | 0 | 0.005 | -0.005 | 16.569 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 371 | LEU | 0 | -0.003 | 0.004 | 14.474 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 372 | PHE | 0 | 0.027 | 0.001 | 16.929 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 373 | LEU | 0 | 0.027 | 0.006 | 15.495 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 374 | HIS | 0 | -0.064 | -0.007 | 19.289 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 375 | ASN | 0 | 0.043 | -0.001 | 20.933 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 376 | THR | 0 | 0.010 | 0.030 | 23.023 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 377 | THR | 0 | 0.025 | -0.008 | 24.921 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 378 | GLY | 0 | -0.014 | 0.007 | 27.237 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 379 | PHE | 0 | -0.031 | -0.011 | 26.560 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 380 | MET | 0 | 0.015 | 0.021 | 27.389 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 381 | VAL | 0 | 0.017 | 0.014 | 29.220 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 382 | GLY | 0 | 0.048 | 0.020 | 32.998 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 383 | THR | 0 | 0.002 | -0.013 | 34.858 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 384 | GLU | -1 | -0.877 | -0.924 | 30.215 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 385 | SER | 0 | 0.045 | 0.000 | 30.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 386 | GLU | -1 | -0.824 | -0.937 | 31.795 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 387 | ARG | 1 | 0.870 | 0.943 | 34.560 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 388 | GLN | 0 | -0.031 | -0.012 | 28.760 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 389 | GLY | 0 | -0.051 | -0.035 | 30.394 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 390 | VAL | 0 | 0.007 | 0.002 | 28.369 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 391 | ILE | 0 | 0.066 | 0.043 | 29.991 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 392 | LYS | 1 | 0.971 | 1.010 | 31.205 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 393 | HIS | 0 | 0.010 | 0.022 | 26.316 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 394 | GLY | 0 | 0.092 | 0.033 | 27.011 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 395 | SER | 0 | -0.058 | -0.036 | 28.291 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 396 | LYS | 1 | 0.851 | 0.907 | 26.747 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 397 | MET | 0 | -0.028 | 0.024 | 21.773 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 398 | ILE | 0 | 0.036 | 0.012 | 25.406 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 399 | GLN | 0 | -0.012 | -0.010 | 28.095 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 400 | ALA | 0 | 0.015 | 0.014 | 23.670 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 401 | VAL | 0 | -0.004 | -0.001 | 23.524 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 402 | ALA | 0 | 0.003 | 0.002 | 25.469 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 403 | ASN | 0 | -0.083 | -0.058 | 28.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 404 | ALA | 0 | 0.020 | 0.040 | 23.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 405 | ARG | 1 | 0.838 | 0.894 | 25.625 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 406 | VAL | 0 | -0.006 | 0.028 | 20.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 407 | PRO | 0 | 0.004 | -0.004 | 21.607 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 408 | LYS | 1 | 0.841 | 0.916 | 21.372 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 409 | LEU | 0 | 0.013 | 0.012 | 19.140 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 410 | THR | 0 | -0.011 | -0.018 | 20.931 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 411 | LEU | 0 | -0.005 | -0.003 | 19.542 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 412 | VAL | 0 | -0.017 | -0.016 | 22.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 413 | VAL | 0 | 0.022 | 0.019 | 19.950 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 414 | GLY | 0 | 0.048 | 0.026 | 23.232 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 415 | GLY | 0 | -0.007 | 0.009 | 25.193 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 416 | SER | 0 | -0.012 | -0.033 | 25.766 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 417 | TYR | 0 | 0.006 | 0.001 | 28.074 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 418 | GLY | 0 | 0.044 | 0.021 | 30.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 419 | ALA | 0 | -0.032 | -0.030 | 31.258 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 420 | GLY | 0 | 0.010 | 0.014 | 27.154 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 421 | ASN | 0 | -0.003 | -0.011 | 26.433 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 422 | TYR | 0 | 0.019 | -0.005 | 27.516 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 423 | ALA | 0 | 0.008 | -0.011 | 25.565 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 424 | MET | 0 | -0.005 | 0.036 | 19.510 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 425 | CYS | 0 | 0.008 | 0.029 | 23.671 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 426 | GLY | 0 | 0.055 | 0.033 | 25.631 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 427 | ARG | 1 | 0.769 | 0.853 | 28.084 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 428 | GLY | 0 | -0.039 | -0.018 | 31.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 429 | LEU | 0 | -0.055 | -0.029 | 28.141 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 430 | ASP | -1 | -0.869 | -0.909 | 28.854 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 431 | PRO | 0 | -0.011 | 0.001 | 25.951 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 432 | ARG | 1 | 0.789 | 0.888 | 24.856 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 433 | PHE | 0 | -0.011 | -0.013 | 24.908 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 434 | ILE | 0 | -0.009 | 0.008 | 25.018 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 435 | PHE | 0 | 0.021 | 0.017 | 24.912 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 436 | ALA | 0 | 0.018 | 0.010 | 25.669 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 437 | TRP | 0 | 0.054 | 0.037 | 19.368 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 438 | PRO | 0 | 0.016 | 0.022 | 26.707 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 439 | ASN | 0 | 0.021 | -0.015 | 25.193 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 440 | SER | 0 | -0.062 | -0.019 | 26.856 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 441 | ARG | 1 | 0.845 | 0.913 | 28.545 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 442 | THR | 0 | 0.015 | 0.006 | 29.923 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 443 | ALA | 0 | 0.003 | -0.005 | 31.891 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 444 | VAL | 0 | 0.015 | 0.003 | 33.718 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 445 | MET | 0 | -0.012 | 0.002 | 34.241 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 446 | GLY | 0 | 0.068 | 0.038 | 34.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 447 | GLY | 0 | 0.004 | -0.016 | 35.180 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 448 | ALA | 0 | -0.014 | -0.015 | 36.308 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 449 | GLN | 0 | -0.015 | 0.001 | 32.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 450 | ALA | 0 | 0.056 | 0.013 | 37.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 451 | GLY | 0 | 0.018 | 0.001 | 40.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 452 | LYS | 1 | 0.838 | 0.907 | 39.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 453 | VAL | 0 | -0.001 | 0.002 | 40.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 454 | LEU | 0 | 0.009 | -0.008 | 43.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 455 | ARG | 1 | 0.743 | 0.852 | 44.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 456 | ILE | 0 | 0.028 | 0.017 | 43.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 457 | VAL | 0 | 0.005 | 0.003 | 46.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 458 | THR | 0 | -0.090 | -0.079 | 49.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 459 | GLU | -1 | -0.847 | -0.892 | 48.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 460 | GLU | -1 | -0.924 | -0.941 | 50.258 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 461 | LYS | 1 | 0.844 | 0.940 | 52.617 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 469 | ALA | 0 | 0.017 | -0.004 | 55.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 470 | ASP | -1 | -0.802 | -0.897 | 56.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 471 | PRO | 0 | 0.042 | 0.018 | 53.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 472 | LYS | 1 | 0.819 | 0.888 | 51.666 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 473 | MET | 0 | -0.001 | -0.011 | 52.898 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 474 | LEU | 0 | -0.023 | -0.002 | 50.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 475 | GLU | -1 | -0.800 | -0.877 | 48.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 476 | MET | 0 | 0.004 | 0.007 | 47.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 477 | LEU | 0 | 0.002 | 0.008 | 48.425 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 478 | GLU | -1 | -0.769 | -0.843 | 43.161 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 479 | THR | 0 | 0.000 | -0.020 | 44.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 480 | VAL | 0 | -0.029 | -0.025 | 44.489 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 481 | THR | 0 | -0.046 | -0.032 | 42.994 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 482 | ALA | 0 | -0.025 | -0.003 | 40.372 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 483 | GLN | 0 | 0.036 | 0.013 | 40.561 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 484 | LYS | 1 | 0.910 | 0.958 | 41.814 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 485 | LEU | 0 | 0.001 | 0.006 | 38.241 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 486 | ASP | -1 | -0.771 | -0.894 | 35.904 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 487 | SER | 0 | -0.050 | 0.014 | 37.019 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 488 | GLN | 0 | -0.005 | -0.009 | 38.746 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 489 | SER | 0 | -0.045 | -0.028 | 34.199 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 490 | THR | 0 | -0.023 | -0.016 | 33.935 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 491 | ALA | 0 | 0.056 | 0.031 | 31.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 492 | LEU | 0 | -0.006 | -0.001 | 33.064 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 493 | TYR | 0 | -0.003 | -0.011 | 36.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 494 | GLY | 0 | 0.044 | 0.033 | 34.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 495 | THR | 0 | 0.012 | -0.020 | 33.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 496 | ALA | 0 | -0.087 | -0.031 | 35.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 497 | SER | 0 | -0.027 | -0.027 | 37.744 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 498 | LEU | 0 | -0.067 | -0.021 | 35.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 499 | TRP | 0 | -0.012 | -0.013 | 33.111 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 500 | ASP | -1 | -0.798 | -0.866 | 29.792 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 501 | ASP | -1 | -0.684 | -0.831 | 29.414 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 502 | GLY | 0 | 0.015 | 0.003 | 30.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 503 | LEU | 0 | -0.024 | 0.010 | 29.346 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 504 | VAL | 0 | -0.018 | -0.011 | 24.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 505 | ASP | -1 | -0.765 | -0.858 | 25.430 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 506 | PRO | 0 | 0.054 | 0.015 | 22.250 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 507 | ARG | 1 | 0.790 | 0.881 | 20.969 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 508 | ASP | -1 | -0.843 | -0.923 | 21.484 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 509 | SER | 0 | -0.044 | -0.044 | 18.924 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 510 | ARG | 1 | 0.744 | 0.837 | 12.480 | 0.605 | 0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 511 | ARG | 1 | 0.926 | 0.953 | 17.495 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 512 | LEU | 0 | -0.055 | -0.010 | 20.218 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 513 | LEU | 0 | 0.014 | -0.004 | 16.869 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 514 | GLY | 0 | 0.042 | 0.033 | 17.995 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 515 | TYR | 0 | -0.006 | -0.022 | 18.775 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 516 | LEU | 0 | -0.005 | -0.005 | 21.850 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 517 | LEU | 0 | 0.020 | 0.008 | 16.056 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 518 | ASP | -1 | -0.854 | -0.911 | 20.369 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 519 | ILE | 0 | -0.010 | -0.001 | 22.291 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 520 | CYS | 0 | -0.057 | -0.033 | 22.374 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 521 | ALA | 0 | -0.010 | 0.001 | 21.472 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 522 | GLU | -1 | -0.784 | -0.869 | 23.531 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 523 | ALA | 0 | -0.017 | 0.004 | 27.039 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 524 | GLU | -1 | -0.927 | -0.943 | 23.557 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 525 | ALA | 0 | -0.026 | -0.013 | 26.547 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 526 | ARG | 1 | 0.821 | 0.904 | 28.344 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 527 | PRO | 0 | -0.024 | 0.008 | 31.894 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 528 | LEU | 0 | -0.007 | -0.014 | 34.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 529 | LYS | 1 | 0.855 | 0.917 | 37.904 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 530 | GLY | 0 | 0.043 | 0.039 | 41.593 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 531 | ASN | 0 | 0.002 | -0.011 | 42.976 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 532 | SER | 0 | -0.004 | -0.008 | 46.522 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 533 | PHE | 0 | -0.049 | -0.035 | 48.839 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 534 | GLY | 0 | 0.012 | 0.021 | 47.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 535 | VAL | 0 | -0.033 | -0.026 | 47.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 536 | ALA | 0 | -0.005 | 0.003 | 50.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 537 | ARG | 1 | 0.778 | 0.880 | 51.142 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 538 | PHE | 0 | -0.021 | -0.009 | 55.384 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |