FMODB ID: 525NZ
Calculation Name: 4PD3-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4PD3
Chain ID: A
UniProt ID: P05095
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 928 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -24515568.57738 |
---|---|
FMO2-HF: Nuclear repulsion | 24139354.050561 |
FMO2-HF: Total energy | -376214.52682 |
FMO2-MP2: Total energy | -377309.189864 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:8:GLU)
Summations of interaction energy for
fragment #1(A:8:GLU)
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. |
-103.833 | -109.814 | 32.479 | -15.838 | -10.659 | 0.099 |
Interaction energy analysis for fragmet #1(A:8:GLU)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 10 | PRO | 0 | -0.033 | -0.027 | 3.703 | -5.248 | -3.201 | -0.006 | -1.055 | -0.986 | 0.004 |
4 | A | 11 | GLU | -1 | -0.867 | -0.959 | 4.233 | 27.208 | 27.595 | -0.001 | -0.038 | -0.348 | 0.000 |
5 | A | 12 | ARG | 1 | 0.865 | 0.935 | 2.121 | -58.534 | -57.565 | 5.146 | -2.245 | -3.870 | 0.000 |
6 | A | 13 | TYR | 0 | -0.080 | -0.075 | 1.500 | -35.793 | -45.652 | 27.342 | -12.337 | -5.146 | 0.094 |
7 | A | 14 | LEU | 0 | -0.051 | -0.021 | 6.873 | -3.400 | -3.400 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 15 | PHE | 0 | 0.043 | 0.022 | 8.831 | -2.032 | -2.032 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | VAL | 0 | 0.059 | 0.016 | 9.340 | 2.096 | 2.096 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | ASP | -1 | -0.878 | -0.903 | 11.084 | 22.168 | 22.168 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | ARG | 1 | 0.828 | 0.875 | 6.224 | -22.818 | -22.818 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | ALA | 0 | -0.005 | 0.030 | 5.545 | 5.043 | 5.043 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | VAL | 0 | -0.041 | -0.016 | 4.616 | 1.562 | 1.725 | -0.001 | -0.004 | -0.157 | 0.000 |
14 | A | 21 | ILE | 0 | -0.003 | 0.004 | 6.532 | -4.037 | -4.037 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 32 | ALA | 0 | 0.015 | -0.011 | 28.281 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 33 | LYS | 1 | 0.955 | 0.972 | 28.981 | -11.301 | -11.301 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 34 | LYS | 1 | 0.832 | 0.905 | 32.122 | -9.268 | -9.268 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 35 | LEU | 0 | -0.017 | 0.005 | 28.156 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 36 | VAL | 0 | -0.039 | -0.020 | 31.453 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 37 | TRP | 0 | -0.025 | -0.019 | 24.052 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 38 | ILE | 0 | -0.007 | -0.001 | 30.945 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 39 | PRO | 0 | 0.061 | 0.016 | 31.524 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 40 | SER | 0 | -0.074 | -0.053 | 29.441 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 41 | GLU | -1 | -0.896 | -0.940 | 31.010 | 9.463 | 9.463 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 42 | ARG | 1 | 0.794 | 0.865 | 28.499 | -9.833 | -9.833 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 43 | HIS | 0 | -0.027 | -0.010 | 23.104 | 0.873 | 0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 44 | GLY | 0 | 0.035 | 0.021 | 25.515 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 45 | PHE | 0 | 0.021 | 0.005 | 26.673 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 46 | GLU | -1 | -0.804 | -0.880 | 26.628 | 11.281 | 11.281 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 47 | ALA | 0 | 0.026 | 0.009 | 27.333 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 48 | ALA | 0 | -0.015 | -0.005 | 29.289 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 49 | SER | 0 | 0.006 | -0.007 | 32.807 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 50 | ILE | 0 | 0.038 | 0.007 | 35.288 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 51 | LYS | 1 | 0.757 | 0.870 | 38.434 | -8.296 | -8.296 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 52 | GLU | -1 | -0.928 | -0.966 | 41.094 | 6.929 | 6.929 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 53 | GLU | -1 | -0.864 | -0.917 | 43.195 | 7.589 | 7.589 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 54 | ARG | 1 | 0.821 | 0.891 | 45.522 | -6.994 | -6.994 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 55 | GLY | 0 | 0.000 | 0.006 | 48.472 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 56 | ASP | -1 | -0.925 | -0.962 | 47.448 | 6.720 | 6.720 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 57 | GLU | -1 | -0.818 | -0.886 | 44.857 | 7.147 | 7.147 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 58 | VAL | 0 | -0.043 | -0.032 | 39.990 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 59 | MET | 0 | 0.002 | 0.012 | 41.583 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 60 | VAL | 0 | 0.038 | 0.025 | 36.759 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 61 | GLU | -1 | -0.843 | -0.914 | 36.770 | 8.204 | 8.204 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 62 | LEU | 0 | -0.002 | 0.006 | 31.921 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 63 | ALA | 0 | -0.037 | -0.015 | 28.676 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 64 | GLU | -1 | -0.867 | -0.925 | 24.817 | 12.526 | 12.526 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 65 | ASN | 0 | -0.062 | -0.056 | 27.806 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 66 | GLY | 0 | -0.004 | 0.017 | 30.088 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 67 | LYN | 0 | 0.025 | 0.052 | 33.136 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 68 | LYS | 1 | 0.833 | 0.887 | 35.788 | -8.141 | -8.141 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 69 | ALA | 0 | -0.014 | -0.008 | 37.140 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 70 | MET | 0 | 0.020 | 0.014 | 39.048 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 71 | VAL | 0 | -0.006 | 0.000 | 37.054 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 72 | ASN | 0 | 0.038 | -0.004 | 40.546 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 73 | LYS | 1 | 0.858 | 0.907 | 40.637 | -7.078 | -7.078 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 74 | ASP | -1 | -0.967 | -0.985 | 40.576 | 7.960 | 7.960 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 75 | ASP | -1 | -0.838 | -0.891 | 37.310 | 8.440 | 8.440 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 76 | ILE | 0 | -0.038 | -0.010 | 35.792 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 77 | GLN | 0 | 0.014 | 0.001 | 31.646 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 78 | LYS | 1 | 0.897 | 0.938 | 32.336 | -8.592 | -8.592 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 79 | MET | 0 | 0.039 | 0.031 | 24.991 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 80 | ASN | 0 | -0.004 | -0.012 | 25.213 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 81 | PRO | 0 | 0.050 | 0.023 | 25.777 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 82 | PRO | 0 | 0.047 | 0.004 | 22.355 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 83 | LYS | 1 | 0.902 | 0.971 | 21.495 | -12.393 | -12.393 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 84 | PHE | 0 | 0.002 | -0.020 | 22.409 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 85 | SER | 0 | -0.054 | -0.017 | 18.188 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 86 | LYS | 1 | 0.837 | 0.905 | 13.287 | -19.871 | -19.871 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 87 | VAL | 0 | -0.007 | 0.028 | 16.655 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 88 | GLU | -1 | -0.725 | -0.876 | 15.333 | 19.494 | 19.494 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 89 | ASP | -1 | -0.816 | -0.919 | 18.593 | 12.371 | 12.371 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 90 | MET | 0 | -0.043 | -0.011 | 21.668 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 91 | ALA | 0 | 0.014 | 0.007 | 23.891 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 92 | GLU | -1 | -0.867 | -0.953 | 21.676 | 13.431 | 13.431 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 93 | LEU | 0 | -0.075 | -0.023 | 23.060 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 94 | THR | 0 | 0.044 | 0.034 | 26.476 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 95 | CYS | 0 | -0.072 | -0.033 | 28.583 | -0.589 | -0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 96 | LEU | 0 | 0.050 | 0.047 | 28.395 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 97 | ASN | 0 | -0.033 | -0.027 | 29.080 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 98 | GLU | -1 | -0.689 | -0.833 | 28.385 | 10.548 | 10.548 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 99 | ALA | 0 | 0.043 | 0.039 | 27.231 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 100 | SER | 0 | 0.001 | -0.014 | 25.290 | 0.655 | 0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 101 | VAL | 0 | -0.041 | -0.015 | 23.768 | 0.628 | 0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 102 | LEU | 0 | 0.022 | 0.011 | 22.392 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 103 | HIS | 0 | -0.040 | -0.017 | 19.906 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 104 | ASN | 0 | -0.007 | -0.017 | 19.232 | 1.128 | 1.128 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 105 | LEU | 0 | 0.014 | 0.009 | 17.784 | 1.055 | 1.055 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 106 | LYS | 1 | 0.954 | 0.985 | 16.762 | -14.438 | -14.438 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 107 | ASP | -1 | -0.765 | -0.879 | 15.722 | 19.742 | 19.742 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 108 | ARG | 1 | 0.777 | 0.882 | 13.437 | -17.671 | -17.671 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 109 | TYR | 0 | -0.050 | -0.033 | 12.022 | 2.677 | 2.677 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 110 | TYR | 0 | -0.065 | -0.051 | 11.079 | 1.759 | 1.759 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 111 | SER | 0 | -0.025 | -0.005 | 9.829 | 1.501 | 1.501 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 112 | GLY | 0 | 0.001 | -0.001 | 7.280 | 4.099 | 4.099 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 113 | LEU | 0 | -0.029 | -0.008 | 8.222 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 114 | ILE | 0 | -0.022 | -0.016 | 10.410 | -2.139 | -2.139 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 115 | TYR | 0 | 0.017 | 0.002 | 12.801 | -2.348 | -2.348 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 116 | THR | 0 | 0.014 | -0.003 | 15.280 | 0.768 | 0.768 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 117 | TYR | 0 | 0.017 | 0.011 | 18.126 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 118 | SER | 0 | -0.004 | -0.009 | 21.570 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 119 | GLY | 0 | 0.087 | 0.049 | 24.706 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 120 | LEU | 0 | 0.028 | 0.020 | 26.328 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 121 | PHE | 0 | -0.043 | -0.006 | 25.640 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 122 | CYS | 0 | -0.044 | -0.016 | 20.485 | 0.617 | 0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 123 | VAL | 0 | -0.008 | -0.003 | 19.940 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 124 | VAL | 0 | -0.004 | -0.011 | 15.762 | 0.857 | 0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 125 | ILE | 0 | 0.023 | 0.014 | 15.494 | -0.780 | -0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 126 | ASN | 0 | -0.011 | -0.010 | 14.523 | 2.764 | 2.764 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 127 | PRO | 0 | 0.040 | 0.020 | 10.074 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 128 | TYR | 0 | -0.050 | -0.033 | 11.757 | 0.861 | 0.861 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 129 | LYS | 1 | 0.908 | 0.953 | 3.947 | -63.026 | -62.714 | -0.001 | -0.159 | -0.152 | 0.001 |
113 | A | 130 | ASN | 0 | 0.001 | 0.005 | 9.791 | -1.606 | -1.606 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 131 | LEU | 0 | 0.023 | -0.001 | 6.004 | 4.789 | 4.789 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 132 | PRO | 0 | -0.015 | 0.016 | 5.146 | -4.594 | -4.594 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 133 | ILE | 0 | 0.039 | 0.006 | 7.831 | -1.640 | -1.640 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 134 | TYR | 0 | -0.026 | -0.020 | 9.749 | -1.240 | -1.240 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 135 | SER | 0 | 0.071 | 0.048 | 11.180 | -1.416 | -1.416 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 136 | GLU | -1 | -0.853 | -0.940 | 13.917 | 14.384 | 14.384 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 137 | ASN | 0 | -0.014 | -0.015 | 12.578 | -1.045 | -1.045 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 138 | ILE | 0 | -0.033 | -0.009 | 9.976 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 139 | ILE | 0 | -0.015 | 0.002 | 14.550 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 140 | GLU | -1 | -0.768 | -0.890 | 17.993 | 12.277 | 12.277 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 141 | MET | 0 | -0.061 | -0.011 | 12.467 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 142 | TYR | 0 | -0.006 | -0.043 | 14.378 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 143 | ARG | 1 | 0.828 | 0.922 | 19.477 | -12.408 | -12.408 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 144 | GLY | 0 | -0.031 | -0.014 | 23.012 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 145 | LYS | 1 | 0.802 | 0.923 | 18.175 | -14.912 | -14.912 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 146 | LYS | 1 | 0.861 | 0.906 | 24.018 | -10.977 | -10.977 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 147 | ARG | 1 | 0.830 | 0.899 | 22.411 | -11.982 | -11.982 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 148 | HIS | 0 | 0.012 | 0.006 | 21.184 | 0.864 | 0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 149 | GLU | -1 | -0.781 | -0.868 | 20.777 | 11.755 | 11.755 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 150 | MET | 0 | -0.042 | -0.018 | 14.424 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 151 | PRO | 0 | 0.039 | 0.038 | 12.719 | -0.583 | -0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 152 | PRO | 0 | -0.040 | 0.003 | 15.290 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 153 | HIS | 0 | 0.030 | 0.024 | 13.061 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 154 | ILE | 0 | -0.001 | 0.002 | 16.412 | -1.016 | -1.016 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 155 | TYR | 0 | 0.025 | 0.011 | 15.640 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 156 | ALA | 0 | 0.037 | 0.037 | 19.070 | -0.691 | -0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 157 | ILE | 0 | -0.004 | -0.006 | 20.902 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 158 | SER | 0 | -0.027 | -0.024 | 21.842 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 159 | GLU | -1 | -0.745 | -0.824 | 22.887 | 11.064 | 11.064 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 160 | SER | 0 | -0.006 | -0.001 | 24.674 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 161 | ALA | 0 | 0.011 | 0.012 | 26.877 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 162 | TYR | 0 | -0.033 | -0.044 | 27.446 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 163 | ARG | 1 | 0.827 | 0.888 | 26.934 | -10.838 | -10.838 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 164 | CYS | 0 | 0.011 | 0.002 | 30.206 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 165 | MET | 0 | -0.054 | -0.009 | 32.326 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 166 | LEU | 0 | -0.083 | -0.031 | 31.826 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 167 | GLN | 0 | -0.113 | -0.063 | 34.162 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 168 | ASP | -1 | -0.802 | -0.894 | 34.909 | 8.458 | 8.458 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 169 | ARG | 1 | 0.779 | 0.872 | 37.726 | -7.633 | -7.633 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 170 | GLU | -1 | -0.847 | -0.892 | 37.842 | 7.694 | 7.694 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 171 | ASP | -1 | -0.784 | -0.898 | 36.596 | 8.279 | 8.279 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 172 | GLN | 0 | -0.015 | -0.015 | 31.926 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 173 | SER | 0 | -0.033 | -0.024 | 32.288 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 174 | ILE | 0 | -0.007 | 0.001 | 25.833 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 175 | LEU | 0 | -0.012 | -0.006 | 29.058 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 176 | CYS | 0 | -0.016 | -0.002 | 25.558 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 177 | THR | 0 | 0.048 | 0.022 | 26.971 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 178 | GLY | 0 | 0.049 | 0.012 | 25.417 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 179 | GLU | -1 | -0.898 | -0.962 | 25.288 | 11.738 | 11.738 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 180 | SER | 0 | 0.029 | 0.005 | 24.974 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 181 | GLY | 0 | 0.003 | -0.003 | 23.412 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 182 | ALA | 0 | 0.022 | 0.018 | 21.068 | 0.682 | 0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 183 | GLY | 0 | 0.002 | 0.016 | 19.216 | 0.935 | 0.935 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 184 | LYS | 1 | 0.824 | 0.920 | 20.296 | -11.163 | -11.163 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 185 | THR | 0 | 0.051 | 0.025 | 22.785 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 186 | GLU | -1 | -0.785 | -0.878 | 18.104 | 15.908 | 15.908 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 187 | ASN | 0 | -0.003 | -0.005 | 18.807 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 188 | THR | 0 | 0.025 | 0.000 | 20.266 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 189 | LYS | 1 | 0.814 | 0.896 | 19.211 | -15.712 | -15.712 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 190 | LYS | 1 | 0.844 | 0.938 | 15.136 | -18.615 | -18.615 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 191 | VAL | 0 | 0.041 | 0.028 | 19.740 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 192 | ILE | 0 | -0.002 | -0.007 | 22.645 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 193 | GLN | 0 | -0.048 | -0.033 | 16.610 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 194 | TYR | 0 | -0.035 | -0.040 | 19.495 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 195 | LEU | 0 | 0.019 | 0.001 | 21.748 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 196 | ALA | 0 | -0.012 | -0.010 | 24.816 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 197 | HIS | 0 | -0.028 | -0.004 | 21.088 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 198 | VAL | 0 | -0.015 | -0.010 | 23.432 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 199 | ALA | 0 | -0.031 | 0.002 | 25.798 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 200 | SER | 0 | -0.029 | -0.017 | 27.481 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 215 | GLU | -1 | -0.686 | -0.810 | 28.775 | 10.262 | 10.262 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 216 | ARG | 1 | 0.850 | 0.884 | 26.446 | -10.222 | -10.222 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 217 | GLN | 0 | -0.015 | -0.021 | 27.911 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 218 | LEU | 0 | 0.021 | 0.002 | 28.996 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 219 | LEU | 0 | -0.053 | -0.038 | 23.710 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 220 | GLN | 0 | 0.042 | 0.019 | 27.619 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 221 | ALA | 0 | 0.049 | 0.015 | 30.378 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 222 | ASN | 0 | -0.043 | -0.013 | 28.107 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 223 | PRO | 0 | 0.054 | 0.031 | 28.441 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 224 | ILE | 0 | -0.005 | 0.009 | 30.725 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 225 | LEU | 0 | -0.002 | -0.017 | 33.256 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 226 | GLU | -1 | -0.890 | -0.923 | 28.382 | 11.096 | 11.096 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 227 | SER | 0 | -0.019 | -0.024 | 32.553 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 228 | PHE | 0 | 0.037 | 0.000 | 35.173 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 229 | GLY | 0 | 0.034 | 0.035 | 35.881 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 230 | ASN | 0 | -0.031 | -0.019 | 29.799 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 231 | ALA | 0 | 0.019 | 0.011 | 34.050 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 232 | LYS | 1 | 0.872 | 0.950 | 32.042 | -9.466 | -9.466 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 233 | THR | 0 | 0.006 | -0.007 | 33.557 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 234 | VAL | 0 | 0.000 | -0.019 | 33.992 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 235 | LYS | 1 | 0.900 | 0.951 | 30.857 | -9.790 | -9.790 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 236 | ASN | 0 | -0.020 | -0.013 | 26.282 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 237 | ASP | -1 | -0.802 | -0.890 | 28.331 | 10.640 | 10.640 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 238 | ASN | 0 | -0.040 | -0.033 | 27.444 | -0.649 | -0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 239 | SER | 0 | -0.003 | 0.013 | 28.766 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 240 | SER | 0 | 0.009 | -0.016 | 30.706 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 241 | ARG | 1 | 0.713 | 0.822 | 32.562 | -8.916 | -8.916 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 242 | PHE | 0 | 0.017 | 0.000 | 33.537 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 243 | GLY | 0 | -0.003 | 0.017 | 34.237 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 244 | LYS | 1 | 0.858 | 0.911 | 28.776 | -11.075 | -11.075 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 245 | PHE | 0 | 0.036 | -0.003 | 32.420 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 246 | ILE | 0 | 0.017 | 0.015 | 29.039 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 247 | ARG | 1 | 0.816 | 0.912 | 32.238 | -8.007 | -8.007 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 248 | ILE | 0 | 0.013 | 0.007 | 29.213 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 249 | ASN | 0 | -0.012 | -0.022 | 32.712 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 250 | PHE | 0 | 0.035 | -0.003 | 29.530 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 251 | ASP | -1 | -0.771 | -0.855 | 35.505 | 7.999 | 7.999 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 252 | VAL | 0 | 0.019 | 0.003 | 37.448 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 253 | THR | 0 | -0.101 | -0.071 | 37.698 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 254 | GLY | 0 | 0.059 | 0.036 | 34.190 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 255 | TYR | 0 | -0.042 | -0.012 | 32.016 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 256 | ILE | 0 | 0.020 | 0.020 | 28.944 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 257 | VAL | 0 | -0.071 | -0.036 | 33.448 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 258 | GLY | 0 | -0.010 | -0.007 | 35.276 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 259 | ALA | 0 | -0.007 | 0.012 | 32.736 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 260 | ASN | 0 | -0.054 | -0.024 | 34.807 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 261 | ILE | 0 | 0.015 | 0.006 | 33.433 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 262 | GLU | -1 | -0.768 | -0.840 | 36.291 | 7.540 | 7.540 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 263 | THR | 0 | -0.014 | -0.010 | 36.461 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 264 | TYR | 0 | -0.058 | -0.042 | 38.049 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 265 | LEU | 0 | -0.015 | -0.010 | 38.201 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 266 | LEU | 0 | 0.016 | 0.026 | 39.663 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 267 | GLU | -1 | -0.748 | -0.842 | 39.083 | 7.954 | 7.954 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 268 | LYS | 1 | 0.794 | 0.879 | 41.679 | -6.607 | -6.607 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 269 | SER | 0 | -0.003 | -0.016 | 44.640 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 270 | ARG | 1 | 0.776 | 0.883 | 39.127 | -8.251 | -8.251 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 271 | ALA | 0 | -0.030 | -0.010 | 43.451 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 272 | VAL | 0 | -0.052 | -0.030 | 45.326 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 273 | ARG | 1 | 0.864 | 0.908 | 46.828 | -6.453 | -6.453 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 274 | GLN | 0 | -0.031 | -0.035 | 41.989 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 275 | ALA | 0 | 0.039 | 0.034 | 41.259 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 276 | LYS | 1 | 0.866 | 0.904 | 42.027 | -7.578 | -7.578 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 277 | ASP | -1 | -0.843 | -0.905 | 38.468 | 8.060 | 8.060 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 278 | GLU | -1 | -0.820 | -0.881 | 37.813 | 8.698 | 8.698 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 279 | ARG | 1 | 0.769 | 0.857 | 35.882 | -8.895 | -8.895 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 280 | THR | 0 | 0.060 | 0.023 | 39.310 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 281 | PHE | 0 | -0.012 | -0.014 | 37.700 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 282 | HIS | 0 | 0.052 | 0.031 | 32.151 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 283 | ILE | 0 | 0.025 | 0.022 | 37.112 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 284 | PHE | 0 | -0.011 | -0.005 | 39.423 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 285 | TYR | 0 | 0.026 | 0.019 | 38.915 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 286 | GLN | 0 | -0.022 | 0.017 | 35.556 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 287 | LEU | 0 | 0.019 | 0.017 | 39.379 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 288 | LEU | 0 | 0.016 | 0.015 | 42.944 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 289 | SER | 0 | -0.050 | -0.044 | 40.222 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 290 | GLY | 0 | 0.004 | 0.000 | 41.051 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 291 | ALA | 0 | -0.019 | 0.012 | 41.858 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 292 | GLY | 0 | 0.031 | 0.006 | 45.229 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 293 | GLU | -1 | -0.892 | -0.950 | 47.268 | 6.021 | 6.021 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 294 | HIS | 0 | 0.012 | 0.006 | 50.990 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 295 | LEU | 0 | 0.053 | 0.028 | 46.014 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 296 | LYS | 1 | 0.834 | 0.902 | 45.980 | -6.929 | -6.929 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 297 | SER | 0 | -0.022 | -0.002 | 50.913 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 298 | ASP | -1 | -0.929 | -0.968 | 52.336 | 5.925 | 5.925 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 299 | LEU | 0 | -0.059 | -0.037 | 48.251 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 300 | LEU | 0 | -0.038 | 0.000 | 52.197 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 301 | LEU | 0 | -0.028 | -0.001 | 47.471 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 302 | GLU | -1 | -0.805 | -0.877 | 51.087 | 5.724 | 5.724 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 303 | GLY | 0 | 0.036 | 0.009 | 49.196 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 304 | PHE | 0 | 0.018 | -0.006 | 42.731 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 305 | ASN | 0 | 0.001 | -0.013 | 47.660 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 306 | ASN | 0 | -0.059 | -0.017 | 50.457 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 307 | TYR | 0 | 0.033 | 0.020 | 49.078 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 308 | ARG | 1 | 0.795 | 0.896 | 50.363 | -5.700 | -5.700 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 309 | PHE | 0 | -0.009 | 0.004 | 48.494 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 310 | LEU | 0 | -0.033 | 0.018 | 44.379 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 311 | SER | 0 | 0.041 | 0.021 | 45.043 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 312 | ASN | 0 | -0.077 | -0.062 | 42.396 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 313 | GLY | 0 | 0.001 | 0.020 | 45.076 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 314 | TYR | 0 | -0.064 | -0.066 | 38.311 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 315 | ILE | 0 | -0.011 | 0.013 | 37.246 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 316 | PRO | 0 | 0.016 | 0.019 | 36.006 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 317 | ILE | 0 | 0.018 | -0.001 | 30.531 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 318 | PRO | 0 | -0.026 | -0.012 | 29.134 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 319 | GLY | 0 | -0.003 | -0.004 | 27.782 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 320 | GLN | 0 | -0.045 | -0.022 | 28.535 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 321 | GLN | 0 | -0.062 | -0.045 | 30.862 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 322 | ASP | -1 | -0.759 | -0.846 | 34.343 | 8.753 | 8.753 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 323 | LYS | 1 | 0.934 | 0.952 | 36.489 | -7.845 | -7.845 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 324 | ASP | -1 | -0.824 | -0.896 | 33.378 | 9.059 | 9.059 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 325 | ASN | 0 | 0.051 | 0.006 | 30.319 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 326 | PHE | 0 | -0.056 | -0.005 | 33.855 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 327 | GLN | 0 | -0.024 | -0.018 | 36.328 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 328 | GLU | -1 | -0.827 | -0.895 | 29.189 | 10.620 | 10.620 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 329 | THR | 0 | 0.006 | -0.009 | 33.736 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 330 | MET | 0 | -0.060 | -0.025 | 35.283 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 331 | GLU | -1 | -0.920 | -0.959 | 34.067 | 9.082 | 9.082 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 332 | ALA | 0 | 0.004 | 0.005 | 32.600 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 333 | MET | 0 | -0.020 | -0.022 | 34.109 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 334 | HIS | 0 | 0.006 | 0.013 | 37.521 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 335 | ILE | 0 | -0.030 | -0.011 | 32.239 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 336 | MET | 0 | -0.093 | -0.025 | 34.896 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 337 | GLY | 0 | 0.020 | 0.011 | 36.714 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 338 | PHE | 0 | -0.076 | -0.037 | 39.004 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 339 | SER | 0 | 0.002 | -0.030 | 42.122 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 340 | HIS | 0 | 0.066 | 0.010 | 45.361 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 341 | GLU | -1 | -0.834 | -0.890 | 46.642 | 6.020 | 6.020 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 342 | GLU | -1 | -0.770 | -0.812 | 45.657 | 6.989 | 6.989 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 343 | ILE | 0 | 0.037 | 0.020 | 41.477 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 344 | LEU | 0 | 0.018 | 0.006 | 44.812 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 345 | SER | 0 | -0.019 | -0.024 | 47.895 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 346 | MET | 0 | -0.027 | -0.008 | 41.887 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 347 | LEU | 0 | -0.014 | -0.012 | 42.647 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 348 | LYS | 1 | 0.902 | 0.955 | 46.575 | -5.962 | -5.962 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 349 | VAL | 0 | 0.001 | 0.011 | 48.150 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 350 | VAL | 0 | 0.000 | 0.014 | 43.697 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 351 | SER | 0 | 0.006 | -0.007 | 46.854 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 352 | SER | 0 | -0.054 | -0.045 | 49.625 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 353 | VAL | 0 | -0.014 | -0.011 | 47.359 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 354 | LEU | 0 | 0.001 | 0.004 | 46.460 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 355 | GLN | 0 | -0.035 | -0.045 | 50.469 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 356 | PHE | 0 | -0.002 | -0.011 | 53.177 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 357 | GLY | 0 | 0.007 | 0.002 | 53.501 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 358 | ASN | 0 | -0.017 | -0.028 | 53.994 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 359 | ILE | 0 | -0.047 | -0.017 | 56.573 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 360 | SER | 0 | -0.017 | -0.001 | 59.778 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 361 | PHE | 0 | 0.008 | 0.004 | 60.328 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 362 | LYS | 1 | 0.893 | 0.939 | 63.966 | -4.731 | -4.731 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 363 | LYS | 1 | 0.891 | 0.942 | 66.790 | -4.485 | -4.485 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 364 | GLU | -1 | -0.848 | -0.887 | 69.579 | 4.555 | 4.555 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 365 | ARG | 1 | 0.954 | 0.968 | 73.097 | -4.122 | -4.122 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 366 | ASN | 0 | -0.014 | -0.006 | 76.090 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 367 | THR | 0 | 0.043 | 0.010 | 76.338 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 368 | ASP | -1 | -0.901 | -0.944 | 72.003 | 4.481 | 4.481 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 369 | GLN | 0 | -0.013 | -0.007 | 70.444 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 370 | ALA | 0 | 0.002 | 0.002 | 66.497 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 371 | SER | 0 | -0.037 | -0.041 | 68.323 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 372 | MET | 0 | 0.029 | 0.002 | 64.762 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 373 | PRO | 0 | -0.073 | -0.040 | 67.432 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 374 | GLU | -1 | -0.829 | -0.898 | 64.126 | 4.908 | 4.908 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 375 | ASN | 0 | -0.047 | -0.035 | 65.864 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 376 | THR | 0 | 0.015 | 0.008 | 61.822 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 377 | VAL | 0 | 0.001 | -0.005 | 58.579 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 378 | ALA | 0 | 0.043 | 0.024 | 60.169 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 379 | GLN | 0 | 0.024 | 0.006 | 61.306 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 380 | LYS | 1 | 0.848 | 0.904 | 56.889 | -5.604 | -5.604 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 381 | LEU | 0 | -0.004 | 0.009 | 55.354 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 382 | CYS | 0 | -0.048 | -0.028 | 57.565 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 383 | HIS | 0 | 0.004 | 0.009 | 57.304 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 384 | LEU | 0 | -0.049 | -0.015 | 52.739 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 385 | LEU | 0 | -0.027 | -0.017 | 53.475 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 386 | GLY | 0 | 0.020 | 0.018 | 56.717 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 387 | MET | 0 | -0.015 | 0.008 | 58.741 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 388 | ASN | 0 | 0.025 | 0.002 | 62.342 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 389 | VAL | 0 | 0.095 | 0.036 | 64.670 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 390 | MET | 0 | -0.027 | -0.013 | 65.884 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 391 | GLU | -1 | -0.962 | -0.968 | 67.173 | 4.652 | 4.652 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 392 | PHE | 0 | 0.068 | 0.019 | 59.826 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 393 | THR | 0 | -0.001 | -0.014 | 64.908 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 394 | ARG | 1 | 0.932 | 0.965 | 66.906 | -4.537 | -4.537 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 395 | ALA | 0 | 0.002 | 0.004 | 65.067 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 396 | ILE | 0 | 0.035 | 0.020 | 60.762 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 397 | LEU | 0 | -0.003 | 0.015 | 64.560 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 398 | THR | 0 | -0.071 | -0.037 | 67.694 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 399 | PRO | 0 | 0.033 | 0.036 | 65.301 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 400 | ARG | 1 | 0.852 | 0.900 | 67.708 | -4.480 | -4.480 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 401 | ILE | 0 | -0.014 | 0.000 | 65.336 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 402 | LYS | 1 | 0.965 | 0.978 | 66.356 | -4.879 | -4.879 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 403 | VAL | 0 | 0.018 | 0.018 | 66.149 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 404 | GLY | 0 | 0.058 | 0.037 | 69.439 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 405 | ARG | 1 | 0.857 | 0.909 | 71.207 | -4.332 | -4.332 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 406 | ASP | -1 | -0.819 | -0.895 | 70.192 | 4.561 | 4.561 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 407 | TYR | 0 | -0.032 | -0.024 | 71.676 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 408 | VAL | 0 | 0.019 | 0.000 | 72.997 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 409 | GLN | 0 | -0.037 | 0.003 | 71.945 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 410 | LYS | 1 | 0.948 | 0.986 | 66.984 | -4.786 | -4.786 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 411 | ALA | 0 | 0.012 | 0.001 | 70.114 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 412 | GLN | 0 | -0.030 | -0.012 | 63.000 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 413 | THR | 0 | 0.041 | 0.018 | 66.867 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 414 | LYS | 1 | 0.859 | 0.905 | 61.821 | -5.148 | -5.148 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 415 | GLU | -1 | -0.840 | -0.913 | 62.141 | 5.138 | 5.138 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 416 | GLN | 0 | -0.047 | -0.025 | 61.199 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 417 | ALA | 0 | 0.019 | 0.012 | 61.406 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 418 | ASP | -1 | -0.759 | -0.867 | 58.553 | 5.515 | 5.515 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 419 | PHE | 0 | 0.014 | 0.008 | 55.119 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 420 | ALA | 0 | 0.000 | 0.012 | 56.588 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 421 | VAL | 0 | -0.021 | -0.013 | 55.973 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 422 | GLU | -1 | -0.772 | -0.856 | 52.868 | 6.165 | 6.165 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 423 | ALA | 0 | -0.016 | -0.003 | 52.335 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 424 | LEU | 0 | -0.014 | -0.004 | 52.940 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 425 | ALA | 0 | 0.004 | 0.026 | 51.028 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 426 | LYS | 1 | 0.828 | 0.899 | 48.276 | -6.180 | -6.180 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 427 | ALA | 0 | 0.008 | 0.004 | 48.249 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 428 | THR | 0 | -0.030 | -0.032 | 49.782 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 429 | TYR | 0 | -0.013 | -0.028 | 40.344 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 430 | GLU | -1 | -0.810 | -0.906 | 44.975 | 6.817 | 6.817 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 431 | ARG | 1 | 0.770 | 0.866 | 45.453 | -6.016 | -6.016 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 432 | LEU | 0 | 0.016 | 0.011 | 44.351 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 433 | PHE | 0 | 0.012 | 0.008 | 36.887 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 434 | ARG | 1 | 0.779 | 0.852 | 41.674 | -6.364 | -6.364 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 435 | TRP | 0 | -0.032 | -0.022 | 43.514 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 436 | LEU | 0 | 0.015 | 0.009 | 38.175 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 437 | VAL | 0 | -0.002 | -0.001 | 37.954 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 438 | HIS | 0 | 0.017 | -0.003 | 39.758 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 439 | ARG | 1 | 0.727 | 0.848 | 41.750 | -7.462 | -7.462 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 440 | ILE | 0 | 0.037 | 0.010 | 35.424 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 441 | ASN | 0 | 0.001 | -0.011 | 38.346 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 442 | LYS | 1 | 0.809 | 0.901 | 39.733 | -6.826 | -6.826 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 443 | ALA | 0 | -0.033 | -0.007 | 38.945 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 444 | LEU | 0 | -0.010 | 0.010 | 33.877 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 445 | ASP | -1 | -0.870 | -0.919 | 35.363 | 8.321 | 8.321 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 446 | ARG | 1 | 0.831 | 0.889 | 36.735 | -7.636 | -7.636 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 447 | THR | 0 | 0.050 | 0.021 | 36.689 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 448 | LYS | 1 | 0.888 | 0.947 | 38.057 | -8.205 | -8.205 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 449 | ARG | 1 | 0.894 | 0.926 | 41.166 | -7.088 | -7.088 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 450 | GLN | 0 | 0.008 | -0.012 | 41.290 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 451 | GLY | 0 | 0.027 | 0.037 | 42.182 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 452 | ALA | 0 | -0.027 | -0.007 | 38.852 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 453 | SER | 0 | 0.056 | 0.044 | 37.112 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 454 | PHE | 0 | -0.018 | -0.028 | 34.922 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 455 | ILE | 0 | 0.063 | 0.049 | 29.081 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 456 | GLY | 0 | -0.032 | -0.016 | 32.080 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 457 | ILE | 0 | -0.017 | -0.024 | 26.279 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 458 | LEU | 0 | -0.022 | -0.004 | 29.975 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 459 | ASP | -1 | -0.818 | -0.887 | 28.101 | 11.563 | 11.563 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 460 | ILE | 0 | 0.029 | 0.000 | 29.505 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 461 | ALA | 0 | 0.018 | 0.015 | 29.935 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 462 | GLY | 0 | 0.025 | -0.004 | 30.306 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 463 | PHE | 0 | -0.004 | 0.006 | 31.246 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 464 | GLU | -1 | -0.789 | -0.858 | 33.040 | 9.276 | 9.276 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 465 | ILE | 0 | 0.037 | 0.025 | 34.451 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 466 | PHE | 0 | -0.053 | -0.042 | 34.384 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 467 | GLU | -1 | -0.924 | -0.963 | 37.563 | 8.012 | 8.012 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 468 | LEU | 0 | -0.054 | -0.026 | 40.199 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 469 | ASN | 0 | -0.005 | -0.015 | 39.653 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 470 | SER | 0 | 0.036 | -0.005 | 42.114 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 471 | PHE | 0 | 0.025 | 0.007 | 43.573 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 472 | GLU | -1 | -0.707 | -0.821 | 41.187 | 7.274 | 7.274 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 473 | GLN | 0 | 0.007 | -0.013 | 38.246 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 474 | LEU | 0 | 0.029 | 0.027 | 40.116 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 475 | CYS | 0 | -0.035 | -0.019 | 42.234 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 476 | ILE | 0 | -0.007 | 0.013 | 34.958 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 477 | ASN | 0 | 0.038 | 0.006 | 37.380 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 478 | TYR | 0 | -0.033 | -0.054 | 38.815 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 479 | THR | 0 | -0.022 | -0.012 | 37.220 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 480 | ASN | 0 | -0.048 | -0.031 | 33.577 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 481 | GLU | -1 | -0.760 | -0.883 | 36.584 | 8.078 | 8.078 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 482 | LYS | 1 | 0.839 | 0.885 | 39.221 | -7.076 | -7.076 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 483 | LEU | 0 | -0.019 | -0.007 | 34.103 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 484 | GLN | 0 | 0.003 | 0.003 | 33.356 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 485 | GLN | 0 | -0.023 | -0.017 | 36.111 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 486 | LEU | 0 | 0.001 | 0.009 | 36.075 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 487 | PHE | 0 | -0.008 | 0.009 | 29.956 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 488 | ASN | 0 | -0.031 | -0.050 | 34.863 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 489 | HIS | 0 | -0.031 | -0.026 | 37.194 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 490 | THR | 0 | 0.006 | -0.016 | 33.980 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 491 | MET | 0 | -0.052 | -0.020 | 32.181 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 492 | PHE | 0 | 0.012 | 0.013 | 35.293 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 493 | ILE | 0 | 0.005 | 0.015 | 38.521 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 494 | LEU | 0 | 0.025 | -0.001 | 32.333 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 495 | GLU | -1 | -0.821 | -0.871 | 33.991 | 9.143 | 9.143 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 496 | GLN | 0 | -0.044 | -0.038 | 36.662 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 497 | GLU | -1 | -0.824 | -0.892 | 36.367 | 8.354 | 8.354 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 498 | GLU | -1 | -0.763 | -0.864 | 33.753 | 9.179 | 9.179 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 499 | TYR | 0 | -0.074 | -0.058 | 36.253 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 500 | GLN | 0 | 0.006 | 0.006 | 39.304 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 501 | ARG | 1 | 0.755 | 0.862 | 34.150 | -8.841 | -8.841 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 502 | GLU | -1 | -0.764 | -0.838 | 35.177 | 8.625 | 8.625 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 503 | GLY | 0 | -0.002 | -0.005 | 39.068 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 504 | ILE | 0 | -0.071 | -0.030 | 38.637 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 505 | GLU | -1 | -0.884 | -0.938 | 42.703 | 6.437 | 6.437 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 506 | TRP | 0 | -0.054 | -0.034 | 40.123 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 507 | ASN | 0 | -0.049 | -0.022 | 44.428 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 508 | PHE | 0 | -0.033 | -0.012 | 39.984 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 509 | ILE | 0 | 0.015 | 0.007 | 44.367 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 510 | ASP | -1 | -0.751 | -0.865 | 42.097 | 7.707 | 7.707 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 511 | PHE | 0 | 0.082 | 0.025 | 38.533 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 512 | GLY | 0 | 0.009 | 0.011 | 41.018 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 513 | LEU | 0 | -0.027 | -0.041 | 41.851 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 514 | ASP | -1 | -0.800 | -0.875 | 41.371 | 7.550 | 7.550 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 515 | LEU | 0 | -0.031 | -0.009 | 38.863 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 516 | GLN | 0 | -0.035 | 0.000 | 42.888 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 517 | PRO | 0 | 0.049 | 0.026 | 46.193 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 518 | CYS | 0 | -0.061 | -0.028 | 42.749 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 519 | ILE | 0 | 0.027 | 0.009 | 42.726 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 520 | ASP | -1 | -0.823 | -0.887 | 46.409 | 6.282 | 6.282 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 521 | LEU | 0 | -0.007 | 0.024 | 48.027 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 522 | ILE | 0 | 0.001 | 0.005 | 44.759 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 523 | GLU | -1 | -0.821 | -0.865 | 47.154 | 6.737 | 6.737 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 524 | ARG | 1 | 0.860 | 0.894 | 50.153 | -6.042 | -6.042 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 525 | PRO | 0 | -0.044 | -0.022 | 53.774 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 526 | ALA | 0 | 0.017 | -0.010 | 56.955 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 527 | ASN | 0 | -0.061 | -0.019 | 56.441 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 528 | PRO | 0 | 0.107 | 0.072 | 58.196 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 529 | PRO | 0 | -0.019 | -0.013 | 57.136 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 530 | GLY | 0 | 0.036 | 0.038 | 52.986 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 531 | VAL | 0 | -0.011 | -0.019 | 49.161 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 532 | LEU | 0 | -0.021 | -0.009 | 47.599 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 533 | ALA | 0 | 0.001 | 0.012 | 51.682 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 534 | LEU | 0 | 0.041 | 0.017 | 55.262 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 535 | LEU | 0 | -0.020 | 0.010 | 51.054 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 536 | ASP | -1 | -0.837 | -0.895 | 54.032 | 5.973 | 5.973 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 537 | GLU | -1 | -0.878 | -0.925 | 56.363 | 5.120 | 5.120 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 538 | GLU | -1 | -0.803 | -0.897 | 58.039 | 5.196 | 5.196 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 539 | CYS | 0 | -0.077 | -0.030 | 56.305 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 540 | TRP | 0 | -0.051 | -0.003 | 59.045 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 541 | PHE | 0 | -0.005 | -0.003 | 62.411 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 542 | PRO | 0 | 0.006 | -0.003 | 63.417 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 543 | LYS | 1 | 0.838 | 0.906 | 64.697 | -4.722 | -4.722 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 544 | ALA | 0 | 0.035 | 0.050 | 61.042 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 545 | THR | 0 | -0.018 | -0.029 | 59.570 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 546 | ASP | -1 | -0.792 | -0.906 | 54.267 | 5.962 | 5.962 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 547 | LYS | 1 | 0.750 | 0.860 | 53.174 | -5.966 | -5.966 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 548 | THR | 0 | 0.057 | 0.021 | 58.000 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 549 | PHE | 0 | 0.009 | 0.010 | 51.852 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 550 | VAL | 0 | 0.003 | 0.008 | 53.390 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 551 | GLU | -1 | -0.956 | -0.990 | 55.964 | 5.325 | 5.325 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 552 | LYS | 1 | 0.824 | 0.895 | 59.357 | -5.260 | -5.260 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 553 | LEU | 0 | 0.006 | 0.004 | 51.760 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 554 | VAL | 0 | -0.041 | -0.037 | 55.475 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 555 | GLN | 0 | -0.111 | -0.057 | 57.244 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 556 | GLU | -1 | -0.895 | -0.942 | 58.369 | 5.208 | 5.208 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 557 | GLN | 0 | -0.020 | -0.037 | 54.027 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 558 | GLY | 0 | 0.018 | 0.021 | 54.974 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 559 | SER | 0 | -0.062 | -0.035 | 56.143 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 560 | HIS | 0 | -0.001 | 0.021 | 49.706 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 561 | SER | 0 | 0.016 | 0.004 | 50.454 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 562 | LYS | 1 | 0.880 | 0.943 | 43.282 | -7.266 | -7.266 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 563 | PHE | 0 | 0.006 | 0.008 | 47.372 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 564 | GLN | 0 | -0.019 | -0.018 | 46.985 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 565 | LYS | 1 | 0.993 | 0.978 | 50.216 | -5.817 | -5.817 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 566 | PRO | 0 | 0.017 | 0.014 | 49.624 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 567 | ARG | 1 | 0.859 | 0.927 | 47.484 | -6.828 | -6.828 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 568 | GLN | 0 | 0.009 | -0.016 | 51.557 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 569 | LEU | 0 | -0.021 | -0.007 | 54.127 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 570 | LYS | 1 | 0.946 | 0.972 | 55.195 | -5.538 | -5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 571 | ASP | -1 | -0.782 | -0.862 | 48.955 | 6.712 | 6.712 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 572 | LYS | 1 | 0.914 | 0.951 | 46.923 | -6.644 | -6.644 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 573 | ALA | 0 | 0.033 | 0.024 | 46.430 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 574 | ASP | -1 | -0.814 | -0.908 | 48.464 | 6.088 | 6.088 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 575 | PHE | 0 | -0.061 | -0.037 | 48.259 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 576 | CYM | -1 | -0.750 | -0.799 | 46.010 | 6.932 | 6.932 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 577 | ILE | 0 | -0.013 | 0.000 | 44.475 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 578 | ILE | 0 | -0.047 | -0.019 | 42.733 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 579 | HIS | 0 | 0.007 | -0.014 | 39.346 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 580 | TYR | 0 | -0.018 | -0.034 | 33.445 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 581 | ALA | 0 | -0.036 | -0.001 | 34.843 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 582 | GLY | 0 | -0.007 | -0.006 | 35.873 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 583 | LYS | 1 | 0.694 | 0.787 | 38.727 | -7.230 | -7.230 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 584 | VAL | 0 | -0.030 | -0.005 | 38.507 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 585 | ASP | -1 | -0.814 | -0.908 | 41.635 | 7.107 | 7.107 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 586 | TYR | 0 | -0.001 | -0.010 | 41.939 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 587 | LYS | 1 | 0.825 | 0.911 | 45.812 | -6.581 | -6.581 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 588 | ALA | 0 | 0.018 | 0.000 | 48.058 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 589 | ASP | -1 | -0.814 | -0.893 | 49.975 | 6.165 | 6.165 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 590 | GLU | -1 | -0.901 | -0.965 | 49.428 | 6.642 | 6.642 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 591 | TRP | 0 | -0.014 | -0.009 | 46.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 592 | LEU | 0 | 0.022 | 0.006 | 51.440 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 593 | MET | 0 | -0.068 | -0.027 | 51.698 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 594 | LYS | 1 | 0.780 | 0.874 | 45.567 | -6.946 | -6.946 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 595 | ASN | 0 | 0.024 | 0.002 | 49.828 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 596 | MET | 0 | 0.027 | 0.030 | 51.929 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 597 | ASP | -1 | -0.774 | -0.879 | 51.722 | 6.356 | 6.356 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 598 | PRO | 0 | 0.016 | 0.011 | 54.232 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 599 | LEU | 0 | 0.018 | 0.010 | 55.775 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 600 | ASN | 0 | 0.030 | 0.003 | 57.900 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 601 | ASP | -1 | -0.810 | -0.915 | 60.896 | 5.122 | 5.122 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 602 | ASN | 0 | -0.060 | -0.012 | 62.626 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 603 | VAL | 0 | 0.038 | 0.007 | 59.208 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 604 | ALA | 0 | 0.058 | 0.036 | 58.496 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 605 | THR | 0 | -0.071 | -0.054 | 59.443 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 606 | LEU | 0 | -0.051 | -0.029 | 62.166 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 607 | LEU | 0 | 0.005 | 0.007 | 55.730 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 608 | HIS | 0 | 0.008 | 0.003 | 57.733 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 609 | GLN | 0 | -0.086 | -0.051 | 59.005 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 610 | SER | 0 | 0.004 | 0.015 | 57.668 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 611 | SER | 0 | 0.011 | -0.009 | 60.101 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 612 | ASP | -1 | -0.870 | -0.907 | 54.588 | 5.936 | 5.936 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 613 | ARG | 1 | 0.904 | 0.903 | 54.798 | -5.759 | -5.759 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 614 | PHE | 0 | 0.034 | 0.028 | 46.700 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 615 | VAL | 0 | -0.002 | -0.013 | 52.140 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 616 | ALA | 0 | 0.032 | 0.024 | 53.823 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 617 | GLU | -1 | -0.902 | -0.937 | 49.869 | 6.474 | 6.474 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 618 | LEU | 0 | -0.026 | -0.008 | 48.173 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 619 | TRP | 0 | -0.024 | -0.021 | 51.394 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 620 | LYS | 1 | 0.945 | 0.992 | 54.023 | -5.812 | -5.812 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 621 | ASP | -1 | -0.819 | -0.864 | 52.231 | 6.087 | 6.087 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 622 | VAL | 0 | 0.025 | 0.021 | 54.789 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 623 | ASP | -1 | -0.866 | -0.917 | 55.959 | 5.710 | 5.710 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 651 | ARG | 1 | 0.806 | 0.894 | 52.160 | -6.046 | -6.046 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 652 | THR | 0 | -0.061 | -0.072 | 53.444 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 653 | VAL | 0 | -0.024 | -0.018 | 47.418 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 654 | GLY | 0 | 0.050 | 0.030 | 48.576 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 655 | GLN | 0 | -0.009 | 0.000 | 49.112 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 656 | LEU | 0 | 0.025 | 0.003 | 48.980 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 657 | TYR | 0 | -0.030 | -0.029 | 40.270 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 658 | LYS | 1 | 0.963 | 0.975 | 45.162 | -6.005 | -6.005 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 659 | GLU | -1 | -0.930 | -0.934 | 47.101 | 6.255 | 6.255 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 660 | SER | 0 | -0.011 | -0.012 | 43.546 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 661 | LEU | 0 | 0.005 | 0.004 | 40.818 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 662 | THR | 0 | -0.030 | -0.026 | 43.262 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 663 | LYS | 1 | 0.839 | 0.924 | 42.111 | -7.471 | -7.471 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 664 | LEU | 0 | 0.001 | -0.004 | 37.165 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 665 | MET | 0 | -0.034 | -0.006 | 38.615 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 666 | ALA | 0 | 0.001 | 0.008 | 42.102 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 667 | THR | 0 | -0.019 | -0.016 | 40.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 668 | LEU | 0 | 0.016 | 0.005 | 35.548 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 669 | ARG | 1 | 0.851 | 0.915 | 38.470 | -7.391 | -7.391 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 670 | ASN | 0 | -0.064 | -0.025 | 40.849 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 671 | THR | 0 | -0.057 | -0.014 | 36.040 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 672 | ASN | 0 | 0.069 | 0.023 | 32.273 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 673 | PRO | 0 | -0.041 | 0.002 | 32.917 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 674 | ASN | 0 | 0.003 | -0.007 | 27.582 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 675 | PHE | 0 | 0.032 | 0.010 | 27.847 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 676 | VAL | 0 | -0.005 | -0.006 | 22.163 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 677 | ARG | 1 | 0.837 | 0.916 | 23.214 | -11.714 | -11.714 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 678 | CYS | 0 | -0.029 | 0.001 | 20.685 | 0.806 | 0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 679 | ILE | 0 | -0.013 | -0.002 | 19.595 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 680 | ILE | 0 | 0.028 | 0.011 | 19.102 | 1.126 | 1.126 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 681 | PRO | 0 | 0.007 | 0.026 | 16.087 | -0.650 | -0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 682 | ASN | 0 | -0.034 | -0.062 | 16.987 | -0.857 | -0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 683 | HIS | 0 | 0.063 | 0.016 | 20.886 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 684 | GLU | -1 | -0.860 | -0.904 | 20.553 | 14.724 | 14.724 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 685 | LYS | 1 | 0.868 | 0.958 | 19.424 | -12.553 | -12.553 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 686 | ARG | 1 | 0.953 | 0.980 | 15.057 | -19.406 | -19.406 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 687 | ALA | 0 | 0.049 | 0.036 | 10.834 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 688 | GLY | 0 | 0.009 | 0.003 | 12.078 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 689 | LYS | 1 | 0.808 | 0.888 | 12.689 | -16.047 | -16.047 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 690 | LEU | 0 | 0.019 | 0.012 | 16.505 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 691 | ASP | -1 | -0.810 | -0.897 | 18.597 | 12.381 | 12.381 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 692 | PRO | 0 | -0.017 | -0.022 | 22.404 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 693 | HIS | 0 | 0.044 | 0.015 | 23.738 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 694 | LEU | 0 | -0.001 | 0.015 | 22.689 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 695 | VAL | 0 | -0.027 | -0.005 | 20.559 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 696 | LEU | 0 | -0.020 | -0.015 | 23.862 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 697 | ASP | -1 | -0.813 | -0.900 | 27.073 | 10.045 | 10.045 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 698 | GLN | 0 | -0.036 | -0.029 | 22.792 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 699 | LEU | 0 | -0.051 | -0.026 | 23.687 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 700 | ARG | 1 | 0.820 | 0.903 | 27.459 | -10.449 | -10.449 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 701 | CYS | 0 | -0.020 | -0.007 | 30.109 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 702 | ASN | 0 | -0.005 | -0.004 | 25.457 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 703 | GLY | 0 | 0.091 | 0.053 | 29.662 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 704 | VAL | 0 | -0.029 | -0.015 | 25.389 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 705 | LEU | 0 | 0.000 | -0.016 | 28.617 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 706 | GLU | -1 | -0.772 | -0.848 | 30.855 | 8.383 | 8.383 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 707 | GLY | 0 | 0.040 | 0.018 | 30.870 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 708 | ILE | 0 | -0.027 | -0.016 | 27.205 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 709 | ARG | 1 | 0.781 | 0.852 | 31.319 | -8.304 | -8.304 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 710 | ILE | 0 | -0.002 | 0.008 | 34.622 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 711 | CYS | 0 | -0.034 | -0.016 | 31.562 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 712 | ARG | 1 | 0.878 | 0.919 | 33.396 | -9.180 | -9.180 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 713 | GLN | 0 | -0.058 | -0.017 | 35.452 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 714 | GLY | 0 | 0.029 | 0.023 | 37.638 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 715 | PHE | 0 | -0.055 | -0.034 | 36.587 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 716 | PRO | 0 | 0.013 | 0.021 | 31.371 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 717 | ASN | 0 | -0.038 | -0.020 | 29.371 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 718 | ARG | 1 | 0.772 | 0.848 | 29.891 | -9.671 | -9.671 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 719 | ILE | 0 | 0.007 | 0.014 | 28.399 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 720 | VAL | 0 | 0.022 | 0.013 | 28.454 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 721 | PHE | 0 | 0.028 | -0.013 | 31.197 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 722 | GLN | 0 | 0.012 | -0.011 | 30.295 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 723 | GLU | -1 | -0.829 | -0.908 | 25.954 | 11.165 | 11.165 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 724 | PHE | 0 | 0.031 | 0.006 | 28.766 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 725 | ARG | 1 | 0.826 | 0.868 | 31.609 | -8.265 | -8.265 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 726 | GLN | 0 | -0.039 | -0.015 | 25.626 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 727 | ARG | 1 | 0.789 | 0.890 | 23.824 | -11.525 | -11.525 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 728 | TYR | 0 | 0.024 | -0.034 | 29.049 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 729 | GLU | -1 | -0.745 | -0.835 | 33.188 | 8.125 | 8.125 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 730 | ILE | 0 | -0.059 | -0.026 | 32.709 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 731 | LEU | 0 | -0.004 | 0.001 | 35.203 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 732 | THR | 0 | -0.030 | -0.010 | 37.802 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 733 | PRO | 0 | 0.017 | 0.006 | 38.707 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 734 | ASN | 0 | -0.001 | -0.009 | 40.343 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 735 | ALA | 0 | -0.013 | 0.012 | 42.622 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 736 | ILE | 0 | -0.013 | -0.007 | 37.925 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 737 | PRO | 0 | 0.011 | 0.016 | 41.976 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 738 | LYS | 1 | 0.995 | 0.996 | 40.918 | -6.630 | -6.630 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 739 | GLY | 0 | -0.003 | -0.012 | 38.718 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 740 | PHE | 0 | -0.059 | -0.047 | 39.598 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 741 | MET | 0 | -0.017 | -0.012 | 36.287 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 742 | ASP | -1 | -0.783 | -0.863 | 39.333 | 7.121 | 7.121 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 743 | GLY | 0 | -0.021 | 0.002 | 37.015 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 744 | LYS | 1 | 0.879 | 0.940 | 37.813 | -7.251 | -7.251 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 745 | GLN | 0 | 0.059 | -0.001 | 39.462 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 746 | ALA | 0 | -0.071 | -0.026 | 38.250 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 747 | CYS | 0 | -0.013 | 0.021 | 36.310 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 748 | GLU | -1 | -0.852 | -0.943 | 38.725 | 7.084 | 7.084 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 749 | ARG | 1 | 0.861 | 0.941 | 42.115 | -6.862 | -6.862 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 750 | MET | 0 | -0.036 | -0.004 | 34.783 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 751 | ILE | 0 | 0.016 | 0.011 | 38.531 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 752 | ARG | 1 | 0.783 | 0.862 | 41.670 | -6.506 | -6.506 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 753 | ALA | 0 | -0.029 | -0.018 | 42.617 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 754 | LEU | 0 | -0.031 | -0.017 | 38.010 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 755 | GLU | -1 | -0.881 | -0.911 | 42.609 | 6.370 | 6.370 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 756 | LEU | 0 | -0.008 | 0.018 | 39.229 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 757 | ASP | -1 | -0.767 | -0.907 | 43.553 | 6.836 | 6.836 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 758 | PRO | 0 | 0.003 | 0.007 | 43.688 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 759 | ASN | 0 | -0.011 | -0.001 | 44.595 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 760 | LEU | 0 | 0.008 | 0.010 | 40.038 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 761 | TYR | 0 | -0.027 | -0.013 | 38.936 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 762 | ARG | 1 | 0.864 | 0.924 | 39.113 | -7.402 | -7.402 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 763 | ILE | 0 | -0.014 | -0.001 | 38.849 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 764 | GLY | 0 | 0.062 | 0.047 | 38.519 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 765 | GLN | 0 | 0.008 | -0.001 | 38.513 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 766 | SER | 0 | -0.124 | -0.090 | 34.018 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 767 | LYS | 1 | 0.774 | 0.866 | 30.901 | -9.072 | -9.072 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 768 | ILE | 0 | -0.018 | -0.005 | 34.080 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 769 | PHE | 0 | 0.003 | 0.008 | 34.016 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 770 | PHE | 0 | 0.022 | -0.010 | 33.441 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 771 | ARG | 1 | 0.853 | 0.927 | 34.812 | -7.528 | -7.528 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 772 | ALA | 0 | 0.046 | 0.019 | 33.230 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 773 | GLY | 0 | -0.046 | -0.024 | 33.173 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 774 | VAL | 0 | -0.005 | -0.001 | 34.683 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 775 | LEU | 0 | 0.046 | 0.011 | 29.878 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 776 | ALA | 0 | -0.025 | -0.018 | 30.822 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 777 | HIS | 0 | -0.011 | 0.000 | 31.794 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 778 | LEU | 0 | 0.027 | 0.014 | 33.615 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 779 | GLU | -1 | -0.770 | -0.863 | 27.615 | 11.145 | 11.145 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 780 | GLU | -1 | -0.830 | -0.892 | 31.081 | 9.444 | 9.444 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 781 | GLU | -1 | -0.747 | -0.840 | 33.082 | 7.979 | 7.979 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 782 | ARG | 1 | 0.821 | 0.926 | 27.664 | -10.460 | -10.460 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 783 | ALA | 0 | -0.028 | -0.014 | 30.258 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 784 | SER | 0 | -0.007 | -0.005 | 31.725 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 785 | GLU | -1 | -0.794 | -0.878 | 35.407 | 7.735 | 7.735 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 786 | GLN | 0 | -0.059 | -0.038 | 29.882 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 787 | THR | 0 | -0.029 | -0.032 | 31.734 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 788 | LYS | 1 | 0.821 | 0.906 | 34.052 | -7.734 | -7.734 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 789 | SER | 0 | 0.008 | 0.001 | 35.850 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 790 | ASP | -1 | -0.839 | -0.923 | 31.885 | 9.351 | 9.351 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 791 | TYR | 0 | -0.091 | -0.051 | 35.213 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 792 | LEU | 0 | -0.009 | -0.016 | 37.855 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 793 | LYS | 1 | 0.834 | 0.934 | 34.290 | -8.869 | -8.869 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 794 | ARG | 1 | 0.888 | 0.916 | 34.478 | -8.887 | -8.887 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 795 | ALA | 0 | -0.001 | 0.009 | 39.239 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 796 | ASN | 0 | 0.010 | -0.003 | 42.351 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 797 | GLU | -1 | -0.929 | -0.967 | 38.888 | 7.783 | 7.783 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 798 | LEU | 0 | -0.045 | -0.017 | 42.101 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 799 | VAL | 0 | 0.038 | 0.013 | 43.934 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 800 | GLN | 0 | -0.085 | -0.053 | 46.736 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 801 | TRP | 0 | -0.022 | -0.018 | 45.118 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 802 | ILE | 0 | -0.005 | -0.009 | 47.032 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 803 | ASN | 0 | -0.008 | -0.002 | 49.491 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 804 | ASP | -1 | -0.842 | -0.910 | 49.824 | 6.044 | 6.044 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 805 | LYS | 1 | 0.819 | 0.909 | 48.351 | -6.510 | -6.510 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 806 | GLN | 0 | -0.043 | -0.044 | 51.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 807 | ALA | 0 | 0.046 | 0.024 | 54.724 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 808 | SER | 0 | -0.060 | -0.033 | 54.067 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 809 | LEU | 0 | -0.066 | -0.030 | 53.325 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 810 | GLU | -1 | -0.850 | -0.901 | 57.203 | 5.256 | 5.256 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 811 | SER | 0 | -0.012 | 0.005 | 59.770 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 812 | ARG | 1 | 0.790 | 0.860 | 61.166 | -5.062 | -5.062 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 813 | ASP | -1 | -0.873 | -0.911 | 63.722 | 4.767 | 4.767 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 814 | PHE | 0 | -0.008 | -0.021 | 60.774 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 815 | GLY | 0 | 0.041 | 0.044 | 63.357 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 816 | ASP | -1 | -0.889 | -0.940 | 65.250 | 4.506 | 4.506 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 817 | SER | 0 | -0.053 | -0.033 | 65.615 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 818 | ILE | 0 | 0.028 | -0.003 | 65.808 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 819 | GLU | -1 | -0.921 | -0.961 | 62.580 | 4.965 | 4.965 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 820 | SER | 0 | -0.035 | -0.021 | 61.382 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 821 | VAL | 0 | 0.053 | 0.025 | 60.830 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 822 | GLN | 0 | 0.053 | 0.005 | 60.646 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 823 | SER | 0 | -0.033 | 0.001 | 57.103 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 824 | PHE | 0 | 0.071 | 0.034 | 56.273 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 825 | MET | 0 | -0.053 | -0.016 | 56.550 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 826 | ASN | 0 | -0.033 | -0.017 | 54.203 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 827 | ALA | 0 | 0.038 | 0.024 | 52.073 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 828 | HIS | 0 | 0.094 | 0.058 | 51.698 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 829 | LYS | 1 | 0.893 | 0.953 | 51.986 | -5.930 | -5.930 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 830 | GLU | -1 | -0.789 | -0.871 | 46.161 | 6.861 | 6.861 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 831 | TYR | 0 | 0.009 | -0.009 | 47.632 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 832 | LYS | 1 | 0.807 | 0.877 | 47.335 | -5.779 | -5.779 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 833 | LYS | 1 | 0.776 | 0.881 | 44.534 | -6.843 | -6.843 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 834 | THR | 0 | -0.051 | -0.045 | 41.916 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 835 | GLU | -1 | -0.786 | -0.884 | 42.311 | 6.825 | 6.825 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 836 | LYS | 1 | 0.767 | 0.874 | 43.471 | -6.218 | -6.218 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 837 | PRO | 0 | -0.003 | 0.000 | 41.425 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 838 | PRO | 0 | 0.006 | 0.007 | 38.246 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 839 | LYS | 1 | 0.877 | 0.918 | 39.787 | -7.497 | -7.497 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 840 | GLY | 0 | 0.056 | 0.035 | 42.159 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 841 | GLN | 0 | -0.029 | -0.024 | 36.003 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 842 | GLU | -1 | -0.764 | -0.858 | 37.844 | 8.176 | 8.176 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 843 | VAL | 0 | 0.039 | 0.021 | 39.446 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 844 | SER | 0 | 0.040 | 0.016 | 40.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 845 | GLU | -1 | -0.897 | -0.923 | 34.562 | 9.195 | 9.195 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 846 | LEU | 0 | -0.008 | -0.003 | 37.212 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 847 | GLU | -1 | -0.907 | -0.946 | 39.306 | 7.368 | 7.368 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 848 | ALA | 0 | -0.009 | 0.002 | 36.127 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 849 | ILE | 0 | -0.033 | -0.026 | 33.996 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 850 | TYR | 0 | 0.004 | -0.002 | 36.430 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 851 | ASN | 0 | -0.007 | -0.011 | 39.465 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 852 | SER | 0 | -0.002 | 0.009 | 33.302 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 853 | LEU | 0 | -0.025 | 0.007 | 35.531 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 854 | GLN | 0 | 0.057 | 0.019 | 37.234 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 855 | THR | 0 | -0.096 | -0.054 | 36.937 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 856 | LYS | 1 | 0.886 | 0.925 | 31.575 | -9.592 | -9.592 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 857 | LEU | 0 | 0.046 | 0.029 | 35.845 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 858 | ARG | 1 | 0.942 | 0.965 | 38.603 | -7.866 | -7.866 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 859 | LEU | 0 | -0.042 | -0.014 | 34.303 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 860 | ILE | 0 | -0.052 | -0.014 | 34.373 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 861 | LYS | 1 | 0.892 | 0.941 | 37.837 | -7.399 | -7.399 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 862 | ARG | 1 | 0.782 | 0.882 | 39.660 | -8.047 | -8.047 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 863 | GLU | -1 | -0.864 | -0.940 | 42.797 | 7.138 | 7.138 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 864 | PRO | 0 | -0.012 | -0.023 | 43.922 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 865 | PHE | 0 | 0.028 | 0.010 | 42.058 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 866 | VAL | 0 | 0.022 | 0.018 | 44.393 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 867 | ALA | 0 | 0.005 | 0.007 | 44.886 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 868 | PRO | 0 | -0.011 | -0.009 | 46.339 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 869 | ALA | 0 | -0.013 | -0.033 | 48.918 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 870 | GLY | 0 | 0.063 | 0.054 | 50.815 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 871 | LEU | 0 | -0.001 | 0.004 | 45.164 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 872 | THR | 0 | -0.055 | -0.043 | 45.199 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 873 | PRO | 0 | 0.036 | 0.001 | 43.162 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 874 | ASN | 0 | -0.003 | 0.003 | 45.758 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 875 | GLU | -1 | -0.842 | -0.875 | 48.937 | 6.134 | 6.134 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 876 | ILE | 0 | 0.002 | 0.019 | 44.556 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 877 | ASP | -1 | -0.830 | -0.924 | 47.491 | 6.383 | 6.383 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 878 | SER | 0 | 0.006 | 0.021 | 48.829 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 879 | THR | 0 | -0.053 | -0.047 | 50.504 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 880 | TRP | 0 | -0.038 | -0.026 | 45.743 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 881 | SER | 0 | -0.029 | -0.034 | 50.267 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 882 | ALA | 0 | -0.056 | -0.018 | 53.128 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 883 | LEU | 0 | 0.038 | 0.024 | 49.716 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 884 | GLU | -1 | -0.819 | -0.898 | 50.187 | 6.304 | 6.304 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 885 | LYS | 1 | 0.813 | 0.908 | 53.670 | -5.221 | -5.221 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 886 | ALA | 0 | 0.041 | 0.025 | 56.671 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 887 | GLU | -1 | -0.805 | -0.884 | 52.060 | 6.055 | 6.055 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 888 | GLN | 0 | -0.033 | -0.037 | 56.063 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 889 | GLU | -1 | -0.809 | -0.890 | 59.690 | 4.981 | 4.981 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 890 | HIS | 0 | -0.049 | -0.007 | 58.198 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 891 | ALA | 0 | 0.010 | -0.008 | 58.701 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 892 | GLU | -1 | -0.793 | -0.858 | 60.697 | 4.758 | 4.758 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 893 | ALA | 0 | 0.014 | -0.003 | 64.265 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 894 | LEU | 0 | 0.029 | 0.037 | 59.773 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 895 | ARG | 1 | 0.801 | 0.849 | 63.818 | -4.854 | -4.854 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 896 | ILE | 0 | -0.072 | -0.051 | 65.493 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 897 | GLU | -1 | -0.727 | -0.840 | 66.393 | 4.483 | 4.483 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | A | 898 | LEU | 0 | -0.036 | -0.018 | 64.438 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | A | 899 | LYS | 1 | 0.865 | 0.943 | 67.492 | -4.593 | -4.593 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | A | 900 | ARG | 1 | 0.814 | 0.890 | 70.959 | -4.449 | -4.449 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | A | 901 | GLN | 0 | 0.031 | 0.000 | 67.750 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | A | 902 | LYS | 1 | 0.895 | 0.943 | 65.789 | -4.795 | -4.795 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | A | 903 | LYS | 1 | 0.940 | 0.970 | 72.026 | -4.169 | -4.169 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | A | 904 | ILE | 0 | 0.056 | 0.030 | 73.544 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | A | 905 | ALA | 0 | 0.009 | 0.017 | 72.411 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | A | 906 | VAL | 0 | -0.032 | -0.024 | 74.569 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | A | 907 | LEU | 0 | -0.020 | -0.004 | 77.325 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | A | 908 | LEU | 0 | 0.081 | 0.045 | 75.173 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | A | 909 | GLN | 0 | 0.027 | 0.024 | 75.942 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | A | 910 | LYS | 1 | 0.909 | 0.950 | 79.063 | -3.920 | -3.920 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | A | 911 | TYR | 0 | 0.035 | -0.005 | 82.030 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | A | 912 | ASN | 0 | 0.001 | -0.004 | 79.264 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | A | 913 | ARG | 1 | 0.868 | 0.931 | 80.137 | -3.912 | -3.912 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | A | 914 | ILE | 0 | -0.003 | -0.002 | 84.170 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | A | 915 | LEU | 0 | 0.032 | 0.022 | 85.432 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | A | 916 | LYS | 1 | 0.940 | 0.964 | 80.448 | -3.904 | -3.904 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | A | 917 | LYS | 1 | 0.919 | 0.979 | 86.572 | -3.457 | -3.457 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | A | 918 | LEU | 0 | -0.019 | -0.006 | 89.266 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | A | 919 | GLU | -1 | -0.878 | -0.945 | 85.880 | 3.654 | 3.654 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | A | 920 | ASN | 0 | -0.056 | -0.026 | 86.985 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | A | 921 | TRP | 0 | -0.033 | -0.017 | 91.021 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | A | 922 | ALA | 0 | 0.056 | 0.015 | 93.965 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | A | 923 | THR | 0 | -0.017 | -0.005 | 91.915 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | A | 924 | THR | 0 | -0.049 | -0.034 | 94.469 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | A | 925 | LYS | 1 | 0.790 | 0.898 | 96.277 | -3.180 | -3.180 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | A | 926 | SER | 0 | 0.001 | -0.014 | 97.526 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | A | 927 | VAL | 0 | -0.075 | -0.021 | 99.027 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | A | 928 | TYR | 0 | -0.046 | -0.010 | 101.535 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | A | 946 | LYS | 1 | 0.834 | 0.892 | 113.843 | -2.744 | -2.744 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | A | 947 | ASN | 0 | 0.029 | 0.000 | 109.713 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | A | 948 | LEU | 0 | 0.017 | 0.027 | 107.373 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | A | 949 | GLU | -1 | -0.728 | -0.864 | 108.218 | 2.835 | 2.835 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | A | 950 | ALA | 0 | -0.029 | -0.007 | 108.726 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | A | 951 | PHE | 0 | 0.007 | -0.013 | 104.266 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | A | 952 | ASP | -1 | -0.875 | -0.925 | 104.031 | 3.024 | 3.024 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | A | 953 | GLY | 0 | 0.028 | 0.009 | 104.992 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | A | 954 | GLU | -1 | -0.842 | -0.897 | 100.397 | 3.176 | 3.176 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | A | 955 | CYS | 0 | 0.005 | 0.002 | 100.496 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | A | 956 | GLN | 0 | -0.013 | -0.010 | 100.280 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | A | 957 | SER | 0 | -0.047 | -0.034 | 101.364 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | A | 958 | LEU | 0 | -0.033 | -0.012 | 94.790 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | A | 959 | GLU | -1 | -0.830 | -0.888 | 96.455 | 3.267 | 3.267 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | A | 960 | GLY | 0 | 0.017 | 0.005 | 96.513 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | A | 961 | GLN | 0 | -0.066 | -0.040 | 93.642 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | A | 962 | SER | 0 | 0.001 | -0.031 | 92.255 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | A | 963 | ASN | 0 | -0.019 | -0.006 | 91.715 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | A | 964 | SER | 0 | 0.063 | 0.034 | 92.290 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | A | 965 | ASP | -1 | -0.905 | -0.936 | 89.548 | 3.513 | 3.513 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | A | 966 | LEU | 0 | -0.039 | -0.025 | 86.896 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | A | 967 | LEU | 0 | 0.028 | 0.006 | 87.486 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | A | 968 | SER | 0 | -0.014 | 0.005 | 88.481 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | A | 969 | ILE | 0 | -0.057 | -0.030 | 82.834 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | A | 970 | LEU | 0 | 0.020 | 0.005 | 83.709 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | A | 971 | ALA | 0 | 0.026 | 0.026 | 84.234 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | A | 972 | GLN | 0 | -0.012 | -0.001 | 82.223 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | A | 973 | LEU | 0 | -0.037 | -0.024 | 78.465 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | A | 974 | THR | 0 | -0.046 | -0.030 | 79.852 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | A | 975 | GLU | -1 | -0.903 | -0.940 | 81.054 | 3.892 | 3.892 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | A | 976 | LEU | 0 | -0.083 | -0.040 | 76.173 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | A | 977 | ASN | 0 | -0.026 | -0.014 | 76.240 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | A | 978 | TYR | 0 | 0.001 | 0.014 | 74.435 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | A | 979 | ASN | 0 | 0.019 | -0.006 | 72.146 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | A | 980 | GLY | 0 | 0.035 | 0.015 | 76.383 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | A | 981 | VAL | 0 | -0.003 | -0.006 | 77.876 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
907 | A | 982 | PRO | 0 | 0.016 | 0.014 | 80.278 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
908 | A | 983 | GLU | -1 | -0.809 | -0.885 | 78.815 | 3.858 | 3.858 | 0.000 | 0.000 | 0.000 | 0.000 |
909 | A | 984 | LEU | 0 | -0.024 | -0.021 | 79.817 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | A | 985 | THR | 0 | -0.027 | -0.001 | 82.985 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | A | 986 | GLU | -1 | -0.849 | -0.921 | 84.946 | 3.542 | 3.542 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | A | 987 | ARG | 1 | 0.850 | 0.920 | 80.027 | -3.881 | -3.881 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | A | 988 | LYS | 1 | 0.808 | 0.906 | 85.941 | -3.494 | -3.494 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | A | 989 | ASP | -1 | -0.799 | -0.897 | 88.639 | 3.416 | 3.416 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | A | 990 | THR | 0 | -0.024 | -0.027 | 88.073 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | A | 991 | PHE | 0 | -0.012 | -0.004 | 89.311 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | A | 992 | PHE | 0 | -0.019 | -0.001 | 91.169 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | A | 993 | ALA | 0 | 0.024 | 0.014 | 93.986 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | A | 994 | GLN | 0 | -0.012 | 0.000 | 92.556 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | A | 995 | GLN | 0 | -0.032 | -0.030 | 94.797 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | A | 996 | TRP | 0 | 0.008 | 0.001 | 96.797 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | A | 997 | THR | 0 | -0.071 | -0.063 | 97.408 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | A | 998 | GLY | 0 | 0.056 | 0.041 | 98.990 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
924 | A | 999 | VAL | 0 | 0.040 | 0.021 | 100.257 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
925 | A | 1000 | LYS | 1 | 0.827 | 0.931 | 102.710 | -3.012 | -3.012 | 0.000 | 0.000 | 0.000 | 0.000 |
926 | A | 1001 | SER | 0 | -0.044 | -0.032 | 102.081 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
927 | A | 1002 | SER | 0 | -0.028 | -0.002 | 104.342 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
928 | A | 1003 | ALA | 0 | -0.029 | -0.016 | 106.564 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |