FMODB ID: 2J7QR
Calculation Name: 4L22-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4L22
Chain ID: A
UniProt ID: Q8DT31
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 753 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -20930121.108035 |
---|---|
FMO2-HF: Nuclear repulsion | 20630566.042411 |
FMO2-HF: Total energy | -299555.065624 |
FMO2-MP2: Total energy | -300441.064054 |
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:6:LYS)
Summations of interaction energy for
fragment #1(A:6:LYS)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-244.98 | -237.119 | 5.038 | -5.794 | -7.105 | -0.047 |
Interaction energy analysis for fragmet #1(A:6:LYS)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 8 | PHE | 0 | 0.074 | 0.045 | 3.660 | 1.842 | 3.768 | -0.008 | -0.808 | -1.109 | 0.000 |
4 | A | 9 | SER | 0 | -0.028 | -0.046 | 2.345 | 0.235 | 1.406 | 0.672 | -0.619 | -1.223 | -0.001 |
5 | A | 10 | LYS | 1 | 0.888 | 0.938 | 2.225 | 39.976 | 41.030 | 0.937 | -0.458 | -1.534 | 0.001 |
6 | A | 11 | TYR | 0 | -0.003 | 0.017 | 5.517 | 2.565 | 2.565 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 12 | VAL | 0 | 0.028 | 0.013 | 7.649 | 2.335 | 2.335 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 13 | GLN | 0 | -0.056 | -0.060 | 7.836 | 3.136 | 3.136 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 14 | GLU | -1 | -0.977 | -0.976 | 9.675 | -18.179 | -18.179 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 15 | LYS | 1 | 0.908 | 0.964 | 11.778 | 18.413 | 18.413 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 16 | THR | 0 | -0.029 | -0.008 | 12.689 | 1.150 | 1.150 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 17 | GLY | 0 | -0.019 | 0.009 | 12.882 | 0.964 | 0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 18 | GLN | 0 | -0.057 | -0.035 | 12.398 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 19 | ASN | 0 | 0.003 | 0.020 | 8.786 | -2.423 | -2.423 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 20 | LEU | 0 | 0.092 | 0.037 | 6.444 | 2.140 | 2.140 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 21 | GLU | -1 | -0.894 | -0.952 | 8.005 | -31.323 | -31.323 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 22 | GLN | 0 | -0.116 | -0.067 | 11.714 | 1.872 | 1.872 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 23 | LEU | 0 | 0.006 | 0.025 | 12.013 | 1.218 | 1.218 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 24 | SER | 0 | 0.021 | 0.003 | 14.964 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 25 | ASN | 0 | 0.067 | 0.006 | 16.296 | -1.592 | -1.592 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 26 | GLU | -1 | -0.861 | -0.934 | 17.092 | -14.444 | -14.444 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 27 | ALA | 0 | -0.006 | -0.005 | 16.684 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 28 | ILE | 0 | 0.013 | -0.001 | 11.644 | -0.657 | -0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 29 | TYR | 0 | 0.023 | 0.019 | 13.583 | -0.812 | -0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 30 | VAL | 0 | 0.033 | 0.024 | 15.734 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 31 | GLN | 0 | 0.013 | 0.005 | 12.147 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 32 | LEU | 0 | -0.025 | -0.022 | 9.718 | -0.674 | -0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 33 | LEU | 0 | -0.031 | 0.003 | 12.819 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 34 | HIS | 0 | -0.027 | -0.021 | 15.287 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 35 | PHE | 0 | -0.025 | -0.005 | 7.631 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 36 | VAL | 0 | 0.002 | -0.006 | 12.704 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 37 | LYS | 1 | 0.897 | 0.935 | 14.423 | 13.281 | 13.281 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 38 | GLU | -1 | -0.943 | -0.977 | 14.838 | -15.925 | -15.925 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 39 | ALA | 0 | -0.007 | 0.009 | 12.907 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 40 | ALA | 0 | 0.048 | 0.021 | 14.892 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 41 | LYS | 1 | 0.916 | 0.965 | 18.223 | 12.818 | 12.818 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 42 | ASP | -1 | -0.943 | -0.970 | 17.856 | -13.120 | -13.120 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 43 | MET | 0 | -0.058 | -0.012 | 15.929 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 44 | PRO | 0 | -0.014 | 0.006 | 20.445 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 45 | LYS | 1 | 0.834 | 0.918 | 23.807 | 9.602 | 9.602 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 46 | ASN | 0 | 0.035 | 0.004 | 26.075 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 47 | THR | 0 | -0.003 | -0.018 | 28.315 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 48 | SER | 0 | -0.001 | 0.011 | 31.455 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 49 | LYS | 1 | 0.961 | 0.993 | 33.983 | 6.914 | 6.914 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 50 | ARG | 1 | 0.971 | 1.006 | 37.323 | 6.998 | 6.998 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 51 | LYS | 1 | 0.770 | 0.899 | 32.631 | 8.433 | 8.433 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 52 | VAL | 0 | 0.033 | 0.013 | 35.216 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 53 | TYR | 0 | -0.034 | -0.031 | 35.322 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 54 | TYR | 0 | 0.012 | 0.000 | 34.818 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 55 | ILE | 0 | 0.007 | 0.009 | 36.274 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 56 | SER | 0 | -0.009 | -0.041 | 36.631 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 57 | ALA | 0 | 0.068 | 0.042 | 38.101 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 58 | GLU | -1 | -0.771 | -0.837 | 36.615 | -7.856 | -7.856 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 59 | PHE | 0 | 0.030 | 0.021 | 31.520 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 60 | LEU | 0 | -0.030 | 0.005 | 31.406 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 61 | ILE | 0 | 0.064 | 0.019 | 26.016 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 62 | GLY | 0 | 0.000 | -0.006 | 26.185 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 63 | LYS | 1 | 0.886 | 0.950 | 21.517 | 12.647 | 12.647 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 64 | LEU | 0 | -0.015 | -0.025 | 20.725 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 65 | LEU | 0 | -0.016 | 0.014 | 13.893 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 66 | SER | 0 | -0.004 | -0.018 | 15.530 | -0.645 | -0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 67 | ASN | 0 | 0.041 | 0.005 | 16.053 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 68 | ASN | 0 | 0.040 | 0.035 | 16.758 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 69 | LEU | 0 | -0.003 | 0.002 | 10.651 | -0.565 | -0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 70 | ILE | 0 | -0.026 | -0.029 | 13.002 | -0.812 | -0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 71 | ASN | 0 | -0.036 | -0.030 | 14.974 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 72 | LEU | 0 | 0.032 | 0.027 | 12.021 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 73 | GLY | 0 | 0.030 | 0.023 | 11.739 | -0.715 | -0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 74 | LEU | 0 | -0.071 | -0.044 | 6.539 | -2.132 | -2.132 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 75 | TYR | 0 | -0.086 | -0.066 | 8.523 | -2.309 | -2.309 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 76 | LYS | 1 | 1.008 | 0.987 | 8.729 | 24.976 | 24.976 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 77 | THR | 0 | 0.036 | 0.018 | 4.435 | 0.089 | 0.189 | -0.001 | -0.009 | -0.090 | 0.000 |
73 | A | 78 | VAL | 0 | 0.021 | 0.023 | 5.422 | -4.742 | -4.742 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 79 | LYS | 1 | 0.940 | 0.973 | 6.943 | 20.404 | 20.404 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 80 | ASP | -1 | -0.936 | -0.965 | 6.509 | -34.812 | -34.812 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 81 | GLU | -1 | -0.872 | -0.936 | 2.359 | -62.208 | -58.621 | 3.439 | -3.898 | -3.129 | -0.047 |
77 | A | 82 | LEU | 0 | -0.006 | 0.004 | 5.367 | 1.525 | 1.548 | -0.001 | -0.002 | -0.020 | 0.000 |
78 | A | 83 | ALA | 0 | 0.046 | 0.034 | 8.952 | 1.751 | 1.751 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 84 | ALA | 0 | -0.077 | -0.037 | 5.562 | 1.574 | 1.574 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 85 | ALA | 0 | 0.015 | 0.021 | 7.528 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 86 | GLY | 0 | -0.072 | -0.042 | 9.147 | 2.709 | 2.709 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 87 | LYS | 1 | 0.856 | 0.929 | 11.810 | 23.298 | 23.298 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 88 | SER | 0 | -0.032 | -0.015 | 12.614 | -0.802 | -0.802 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 89 | ILE | 0 | 0.096 | 0.032 | 11.807 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 90 | SER | 0 | -0.008 | -0.005 | 14.453 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 91 | GLN | 0 | -0.009 | 0.000 | 17.878 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 92 | VAL | 0 | -0.005 | 0.007 | 13.770 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 93 | GLU | -1 | -0.801 | -0.893 | 16.270 | -16.659 | -16.659 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 94 | ASP | -1 | -0.952 | -0.985 | 18.425 | -12.770 | -12.770 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 95 | VAL | 0 | -0.037 | 0.003 | 19.216 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 96 | GLU | -1 | -0.777 | -0.876 | 20.217 | -13.054 | -13.054 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 97 | LEU | 0 | 0.009 | 0.006 | 22.052 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 98 | GLU | -1 | -0.830 | -0.938 | 25.516 | -10.585 | -10.585 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 99 | PRO | 0 | 0.013 | 0.000 | 25.409 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 100 | SER | 0 | -0.045 | -0.030 | 28.515 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 101 | LEU | 0 | -0.004 | 0.014 | 29.586 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 102 | GLY | 0 | 0.009 | 0.007 | 33.143 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 103 | ASN | 0 | -0.034 | -0.022 | 34.854 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 104 | GLY | 0 | -0.002 | 0.008 | 36.519 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 105 | GLY | 0 | -0.039 | -0.033 | 36.277 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 106 | LEU | 0 | 0.066 | 0.047 | 36.821 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 107 | GLY | 0 | 0.069 | 0.032 | 35.310 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 108 | ARG | 1 | 0.737 | 0.845 | 26.954 | 10.071 | 10.071 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 109 | LEU | 0 | 0.015 | 0.008 | 32.095 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 110 | ALA | 0 | 0.046 | 0.038 | 33.528 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 111 | SER | 0 | -0.042 | -0.029 | 28.638 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 112 | CYM | -1 | -0.832 | -0.864 | 28.650 | -10.345 | -10.345 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 113 | PHE | 0 | 0.007 | 0.004 | 29.289 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 114 | ILE | 0 | 0.025 | -0.002 | 28.131 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 115 | ASP | -1 | -0.874 | -0.915 | 23.735 | -12.039 | -12.039 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 116 | SER | 0 | 0.044 | 0.025 | 25.535 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 117 | MET | 0 | -0.080 | -0.017 | 27.780 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 118 | ALA | 0 | 0.026 | 0.026 | 23.918 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 119 | THR | 0 | 0.020 | 0.000 | 23.112 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 120 | LEU | 0 | -0.070 | -0.027 | 24.228 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 121 | GLY | 0 | -0.060 | -0.017 | 26.251 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 122 | ILE | 0 | 0.031 | 0.020 | 27.052 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 123 | ASN | 0 | -0.044 | -0.028 | 29.494 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 124 | GLY | 0 | 0.016 | 0.001 | 30.639 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 125 | GLU | -1 | -0.772 | -0.866 | 29.871 | -9.602 | -9.602 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 126 | GLY | 0 | 0.034 | 0.025 | 31.525 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 127 | VAL | 0 | -0.028 | -0.023 | 33.319 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 128 | GLY | 0 | 0.071 | 0.018 | 35.517 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 129 | LEU | 0 | -0.037 | -0.008 | 36.695 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 130 | ASN | 0 | 0.012 | 0.001 | 32.513 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 131 | TYR | 0 | -0.056 | -0.033 | 34.772 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 132 | HIS | 1 | 0.843 | 0.903 | 34.408 | 8.081 | 8.081 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 133 | CYS | 0 | -0.056 | -0.018 | 34.691 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 134 | GLY | 0 | 0.078 | 0.035 | 35.938 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 135 | LEU | 0 | -0.057 | -0.016 | 36.626 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 136 | PHE | 0 | 0.011 | -0.014 | 38.527 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 137 | LYS | 1 | 0.942 | 0.978 | 33.841 | 8.481 | 8.481 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 138 | GLN | 0 | -0.047 | -0.028 | 37.221 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 139 | VAL | 0 | 0.001 | -0.003 | 37.820 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 140 | PHE | 0 | 0.000 | -0.001 | 39.332 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 141 | ARG | 1 | 0.898 | 0.944 | 41.761 | 7.112 | 7.112 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 142 | ASP | -1 | -0.874 | -0.933 | 45.229 | -6.120 | -6.120 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 143 | ASN | 0 | 0.061 | 0.004 | 46.340 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 144 | GLN | 0 | 0.024 | 0.019 | 46.864 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 145 | GLN | 0 | 0.015 | 0.000 | 42.882 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 146 | GLU | -1 | -0.899 | -0.939 | 43.764 | -6.446 | -6.446 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 147 | ALA | 0 | -0.046 | -0.037 | 42.049 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 148 | GLU | -1 | -0.881 | -0.944 | 39.324 | -7.189 | -7.189 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 149 | PRO | 0 | 0.056 | 0.036 | 38.300 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 150 | ASN | 0 | -0.084 | -0.044 | 33.563 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 151 | TYR | 0 | 0.030 | 0.016 | 33.566 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 152 | TRP | 0 | 0.018 | -0.009 | 26.875 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 153 | ILE | 0 | -0.049 | -0.005 | 28.247 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 154 | GLU | -1 | -0.889 | -0.940 | 25.294 | -10.505 | -10.505 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 155 | ASP | -1 | -0.953 | -0.983 | 27.143 | -9.817 | -9.817 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 156 | ASP | -1 | -0.904 | -0.939 | 21.907 | -12.858 | -12.858 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 157 | SER | 0 | 0.000 | -0.006 | 23.157 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 158 | TRP | 0 | 0.029 | -0.011 | 16.510 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 159 | LEU | 0 | -0.029 | -0.005 | 23.073 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 160 | VAL | 0 | -0.003 | -0.002 | 23.866 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 161 | PRO | 0 | 0.000 | 0.007 | 26.489 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 162 | THR | 0 | -0.060 | -0.065 | 29.484 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 163 | ALA | 0 | -0.018 | -0.020 | 32.227 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 164 | ILE | 0 | -0.027 | -0.001 | 34.878 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 165 | SER | 0 | -0.097 | -0.117 | 37.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 166 | TYR | 0 | -0.040 | -0.034 | 39.392 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 167 | ASP | -1 | -0.827 | -0.901 | 43.605 | -6.307 | -6.307 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 168 | VAL | 0 | -0.013 | -0.018 | 45.088 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 169 | PRO | 0 | -0.067 | -0.016 | 47.959 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 170 | PHE | 0 | 0.022 | 0.001 | 47.993 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 171 | ARG | 1 | 0.917 | 0.968 | 53.473 | 5.119 | 5.119 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 172 | ASP | -1 | -0.916 | -0.955 | 56.036 | -5.220 | -5.220 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 173 | PHE | 0 | -0.074 | -0.056 | 50.210 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 174 | THR | 0 | -0.006 | 0.003 | 49.538 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 175 | LEU | 0 | -0.059 | -0.020 | 46.034 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 176 | LYS | 1 | 0.880 | 0.941 | 43.837 | 6.447 | 6.447 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 177 | SER | 0 | -0.008 | 0.006 | 40.603 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 178 | LYS | 1 | 0.922 | 1.032 | 33.770 | 8.489 | 8.489 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 179 | LEU | 0 | 0.018 | 0.015 | 33.269 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 180 | ASP | -1 | -0.875 | -0.904 | 30.049 | -9.190 | -9.190 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 181 | ARG | 1 | 0.925 | 0.960 | 28.178 | 9.231 | 9.231 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 182 | ILE | 0 | 0.021 | 0.014 | 24.153 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 183 | ASP | -1 | -0.853 | -0.936 | 21.505 | -11.909 | -11.909 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 184 | ILE | 0 | -0.054 | -0.028 | 22.783 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 185 | LEU | 0 | 0.004 | -0.012 | 17.134 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 186 | GLY | 0 | 0.039 | 0.018 | 20.618 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 187 | TYR | 0 | -0.023 | -0.035 | 17.320 | -0.882 | -0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 188 | HIS | 0 | -0.048 | -0.019 | 13.957 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 189 | LYS | 1 | 0.888 | 0.966 | 16.942 | 12.040 | 12.040 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 190 | ASP | -1 | -0.870 | -0.936 | 17.250 | -14.594 | -14.594 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 191 | SER | 0 | -0.092 | -0.043 | 19.247 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 192 | LYS | 1 | 0.811 | 0.915 | 21.360 | 11.793 | 11.793 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 193 | ASN | 0 | 0.015 | 0.002 | 23.149 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 194 | TYR | 0 | -0.025 | -0.012 | 25.190 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 195 | LEU | 0 | -0.040 | -0.002 | 27.776 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 196 | ASN | 0 | -0.048 | -0.047 | 29.689 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 197 | LEU | 0 | 0.014 | 0.008 | 30.259 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 198 | PHE | 0 | 0.034 | 0.010 | 33.836 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 199 | ASP | -1 | -0.751 | -0.821 | 36.151 | -7.974 | -7.974 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 200 | ILE | 0 | -0.015 | -0.017 | 38.165 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 201 | ASP | -1 | -0.867 | -0.938 | 38.184 | -7.890 | -7.890 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 202 | GLY | 0 | -0.071 | -0.044 | 40.518 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 203 | LEU | 0 | 0.005 | 0.008 | 38.835 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 204 | ASP | -1 | -0.899 | -0.938 | 41.625 | -6.769 | -6.769 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 205 | TYR | 0 | 0.045 | 0.008 | 35.449 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 206 | GLY | 0 | 0.010 | 0.016 | 42.004 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 207 | LEU | 0 | -0.046 | -0.036 | 45.197 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 208 | ILE | 0 | -0.041 | -0.019 | 41.233 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 209 | LYS | 1 | 0.800 | 0.917 | 45.414 | 6.354 | 6.354 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 210 | ASP | -1 | -0.901 | -0.942 | 46.063 | -6.488 | -6.488 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 211 | GLY | 0 | 0.092 | 0.052 | 44.619 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 212 | ILE | 0 | -0.018 | -0.035 | 42.276 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 213 | THR | 0 | -0.032 | -0.005 | 44.768 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 214 | PHE | 0 | -0.004 | -0.018 | 45.636 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 215 | ASP | -1 | -0.819 | -0.895 | 48.653 | -5.699 | -5.699 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 216 | LYS | 1 | 0.926 | 0.977 | 48.332 | 6.135 | 6.135 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 217 | THR | 0 | -0.014 | -0.032 | 50.850 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 218 | GLU | -1 | -0.929 | -0.958 | 49.536 | -5.859 | -5.859 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 219 | ILE | 0 | 0.024 | 0.020 | 48.024 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 220 | LYS | 1 | 0.885 | 0.925 | 46.822 | 5.761 | 5.761 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 221 | LYS | 1 | 0.950 | 0.988 | 45.172 | 6.070 | 6.070 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 222 | ASN | 0 | 0.002 | -0.017 | 44.272 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 223 | LEU | 0 | 0.015 | 0.038 | 43.464 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 224 | THR | 0 | -0.021 | -0.061 | 38.688 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 225 | LEU | 0 | -0.011 | 0.007 | 38.918 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 226 | PHE | 0 | 0.033 | 0.006 | 39.248 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 227 | LEU | 0 | -0.014 | -0.001 | 37.683 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 228 | TYR | 0 | -0.144 | -0.127 | 40.699 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 229 | PRO | 0 | 0.023 | 0.020 | 44.017 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 230 | ASP | -1 | -0.909 | -0.968 | 45.933 | -5.992 | -5.992 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 231 | ASP | -1 | -0.838 | -0.941 | 49.073 | -6.038 | -6.038 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 232 | SER | 0 | -0.118 | -0.030 | 51.615 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 233 | ASP | -1 | -0.866 | -0.947 | 54.293 | -5.556 | -5.556 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 234 | LYS | 1 | 0.957 | 0.990 | 55.158 | 5.005 | 5.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 235 | ASN | 0 | -0.005 | -0.023 | 54.544 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 236 | GLY | 0 | 0.002 | 0.020 | 51.425 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 237 | GLU | -1 | -0.877 | -0.948 | 50.892 | -5.621 | -5.621 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 238 | LEU | 0 | -0.017 | -0.019 | 51.949 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 239 | LEU | 0 | -0.026 | 0.004 | 46.718 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 240 | ARG | 1 | 0.875 | 0.931 | 46.894 | 6.235 | 6.235 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 241 | ILE | 0 | 0.021 | 0.020 | 47.831 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 242 | TYR | 0 | 0.003 | -0.010 | 48.281 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 243 | GLN | 0 | -0.065 | -0.040 | 43.048 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 244 | GLN | 0 | -0.046 | -0.037 | 44.481 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 245 | TYR | 0 | 0.017 | -0.021 | 45.598 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 246 | PHE | 0 | 0.008 | 0.006 | 40.862 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 247 | MET | 0 | -0.014 | 0.009 | 40.069 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 248 | VAL | 0 | 0.007 | 0.024 | 41.928 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 249 | SER | 0 | -0.040 | -0.016 | 44.387 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 250 | ASN | 0 | -0.005 | -0.025 | 40.310 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 251 | ALA | 0 | -0.015 | 0.007 | 39.890 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 252 | ALA | 0 | 0.012 | 0.004 | 40.947 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 253 | GLN | 0 | -0.064 | -0.044 | 43.279 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 254 | LEU | 0 | 0.014 | 0.027 | 35.694 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 255 | LEU | 0 | -0.024 | -0.007 | 39.350 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 256 | ILE | 0 | -0.027 | -0.017 | 40.357 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 257 | ASP | -1 | -0.809 | -0.889 | 40.161 | -6.949 | -6.949 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 258 | GLU | -1 | -0.809 | -0.889 | 34.870 | -8.358 | -8.358 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 259 | ALA | 0 | -0.056 | -0.020 | 38.695 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 260 | LEU | 0 | -0.032 | -0.019 | 41.207 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 261 | GLU | -1 | -0.949 | -0.966 | 36.837 | -7.808 | -7.808 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 262 | ARG | 1 | 0.732 | 0.857 | 35.930 | 7.605 | 7.605 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 263 | GLY | 0 | -0.022 | -0.014 | 39.593 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 264 | SER | 0 | -0.064 | -0.007 | 43.130 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 265 | ASN | 0 | -0.045 | -0.038 | 44.872 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 266 | LEU | 0 | 0.076 | 0.016 | 46.807 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 267 | HIS | 1 | 0.802 | 0.868 | 49.098 | 5.561 | 5.561 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 268 | ASP | -1 | -0.831 | -0.909 | 47.219 | -6.228 | -6.228 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 269 | LEU | 0 | 0.071 | 0.031 | 44.320 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 270 | ALA | 0 | 0.033 | 0.023 | 44.405 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 271 | ASP | -1 | -0.968 | -0.980 | 43.994 | -6.502 | -6.502 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 272 | TYR | 0 | -0.123 | -0.068 | 40.579 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 273 | ALA | 0 | -0.030 | -0.012 | 39.631 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 274 | TYR | 0 | 0.028 | 0.000 | 40.018 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 275 | VAL | 0 | 0.005 | 0.005 | 39.918 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 276 | GLN | 0 | 0.020 | 0.013 | 39.019 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 277 | ILE | 0 | -0.026 | -0.010 | 40.157 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 278 | ASN | 0 | 0.012 | -0.012 | 38.325 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 279 | ASP | -1 | -0.861 | -0.959 | 41.087 | -6.685 | -6.685 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 280 | THR | 0 | -0.019 | -0.031 | 44.497 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 281 | HIS | 0 | 0.004 | 0.018 | 43.652 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 282 | PRO | 0 | -0.029 | -0.025 | 42.395 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 283 | SER | 0 | 0.036 | -0.021 | 45.050 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 284 | MET | 0 | -0.062 | -0.035 | 48.485 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 285 | VAL | 0 | 0.029 | -0.009 | 44.204 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 286 | ILE | 0 | 0.004 | 0.021 | 47.290 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 287 | PRO | 0 | 0.009 | -0.002 | 49.991 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 288 | GLU | -1 | -0.687 | -0.840 | 47.604 | -6.014 | -6.014 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 289 | LEU | 0 | 0.006 | -0.005 | 45.334 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 290 | ILE | 0 | -0.018 | -0.001 | 49.187 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 291 | ARG | 1 | 0.872 | 0.937 | 50.061 | 5.937 | 5.937 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 292 | LEU | 0 | -0.065 | -0.021 | 46.977 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 293 | LEU | 0 | 0.025 | 0.006 | 48.870 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 294 | ASN | 0 | -0.043 | -0.025 | 52.230 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 295 | GLU | -1 | -0.959 | -0.981 | 55.247 | -5.307 | -5.307 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 296 | LYS | 1 | 0.872 | 0.927 | 50.920 | 5.704 | 5.704 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 297 | HIS | 0 | -0.001 | 0.006 | 48.086 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 298 | GLY | 0 | -0.026 | 0.008 | 53.097 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 299 | LEU | 0 | -0.028 | -0.011 | 52.536 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 300 | ASP | -1 | -0.833 | -0.918 | 56.502 | -4.918 | -4.918 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 301 | PHE | 0 | 0.014 | 0.000 | 57.900 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 302 | TYR | 0 | -0.039 | -0.071 | 57.864 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 303 | GLU | -1 | -0.827 | -0.879 | 55.366 | -5.441 | -5.441 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 304 | ALA | 0 | -0.007 | -0.007 | 53.822 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 305 | VAL | 0 | -0.019 | -0.010 | 53.238 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 306 | ASP | -1 | -1.003 | -0.996 | 53.926 | -5.557 | -5.557 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 307 | ILE | 0 | 0.026 | 0.015 | 49.398 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 308 | VAL | 0 | -0.005 | -0.012 | 48.951 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 309 | LYS | 1 | 0.926 | 0.975 | 49.135 | 5.309 | 5.309 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 310 | ASN | 0 | -0.033 | -0.029 | 49.633 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 311 | MET | 0 | -0.073 | -0.023 | 44.110 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 312 | ILE | 0 | 0.003 | 0.007 | 44.569 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 313 | GLY | 0 | 0.020 | 0.018 | 43.885 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 314 | TYR | 0 | 0.014 | -0.011 | 44.241 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 315 | THR | 0 | -0.043 | -0.019 | 41.445 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 316 | ASN | 0 | 0.035 | 0.026 | 44.379 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 317 | HIS | 0 | -0.017 | -0.030 | 40.003 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 318 | THR | 0 | -0.007 | 0.012 | 45.327 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 319 | ILE | 0 | -0.010 | 0.013 | 48.716 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 320 | LEU | 0 | -0.011 | -0.006 | 51.110 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 321 | ALA | 0 | 0.035 | 0.006 | 53.902 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 322 | GLU | -1 | -1.012 | -1.000 | 55.789 | -5.327 | -5.327 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 323 | ALA | 0 | 0.016 | 0.015 | 52.383 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 324 | LEU | 0 | -0.039 | 0.003 | 51.096 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 325 | GLU | -1 | -0.767 | -0.854 | 49.379 | -6.138 | -6.138 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 326 | LYS | 1 | 0.801 | 0.875 | 52.638 | 5.481 | 5.481 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 327 | TRP | 0 | 0.042 | 0.011 | 50.668 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 328 | PRO | 0 | 0.023 | 0.024 | 56.721 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 329 | LEU | 0 | 0.078 | 0.037 | 59.275 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 330 | GLU | -1 | -0.984 | -0.989 | 60.743 | -4.892 | -4.892 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 331 | TYR | 0 | 0.041 | 0.005 | 56.888 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 332 | LEU | 0 | 0.035 | 0.027 | 54.668 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 333 | ASN | 0 | 0.001 | -0.011 | 57.308 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 334 | GLU | -1 | -0.924 | -0.965 | 58.164 | -5.087 | -5.087 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 335 | VAL | 0 | -0.015 | 0.008 | 52.461 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 336 | VAL | 0 | 0.001 | -0.022 | 52.198 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 337 | PRO | 0 | 0.024 | 0.025 | 55.409 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 338 | HIS | 0 | -0.017 | -0.018 | 53.043 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 339 | LEU | 0 | 0.023 | 0.004 | 52.098 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 340 | VAL | 0 | 0.013 | 0.020 | 56.092 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 341 | THR | 0 | 0.023 | 0.016 | 58.793 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 342 | ILE | 0 | -0.049 | -0.020 | 55.555 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 343 | ILE | 0 | 0.007 | -0.010 | 54.834 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 344 | GLU | -1 | -0.906 | -0.956 | 58.325 | -4.781 | -4.781 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 345 | HIS | 0 | -0.089 | -0.011 | 60.561 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 346 | LEU | 0 | 0.011 | -0.006 | 55.450 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 347 | ASP | -1 | -0.778 | -0.867 | 59.919 | -4.803 | -4.803 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 348 | ARG | 1 | 0.987 | 0.995 | 62.229 | 4.785 | 4.785 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 349 | ILE | 0 | -0.042 | -0.012 | 60.022 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 350 | VAL | 0 | 0.004 | 0.012 | 59.570 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 351 | ARG | 1 | 0.824 | 0.889 | 62.734 | 4.769 | 4.769 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 352 | SER | 0 | -0.096 | -0.049 | 65.944 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 353 | GLN | 0 | -0.081 | -0.029 | 62.414 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 354 | TYR | 0 | -0.009 | -0.012 | 60.249 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 355 | LYS | 1 | 0.880 | 0.925 | 65.892 | 4.453 | 4.453 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 356 | ASP | -1 | -0.851 | -0.921 | 64.933 | -4.724 | -4.724 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 357 | ASP | -1 | -0.924 | -0.979 | 65.519 | -4.672 | -4.672 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 358 | ALA | 0 | 0.031 | 0.020 | 63.406 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 359 | VAL | 0 | -0.041 | -0.012 | 60.526 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 360 | GLN | 0 | -0.031 | 0.010 | 60.607 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 361 | ILE | 0 | 0.008 | 0.008 | 57.746 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 362 | ILE | 0 | 0.027 | 0.024 | 59.938 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 363 | ASP | -1 | -0.792 | -0.871 | 62.394 | -4.859 | -4.859 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 364 | ARG | 1 | 0.969 | 0.959 | 64.697 | 4.396 | 4.396 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 365 | ASP | -1 | -1.000 | -0.995 | 65.480 | -4.562 | -4.562 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 366 | ASP | -1 | -0.898 | -0.947 | 64.721 | -4.702 | -4.702 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 367 | ARG | 1 | 0.870 | 0.936 | 60.256 | 4.913 | 4.913 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 368 | VAL | 0 | 0.004 | -0.012 | 56.498 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 369 | HIS | 0 | -0.073 | -0.049 | 56.484 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 370 | MET | 0 | 0.023 | 0.014 | 51.404 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 371 | ALA | 0 | 0.116 | 0.055 | 51.590 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 372 | HIS | 1 | 0.849 | 0.929 | 52.610 | 5.313 | 5.313 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 373 | MET | 0 | -0.024 | -0.003 | 52.038 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 374 | ASP | -1 | -0.763 | -0.858 | 49.434 | -6.160 | -6.160 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 375 | ILE | 0 | -0.019 | 0.038 | 51.100 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 376 | HIS | 0 | -0.041 | -0.040 | 53.004 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 377 | PHE | 0 | -0.098 | -0.046 | 52.934 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 378 | SER | 0 | -0.001 | -0.045 | 48.433 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 379 | THR | 0 | 0.022 | 0.031 | 46.686 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 380 | SER | 0 | 0.015 | 0.013 | 45.448 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 381 | VAL | 0 | 0.010 | 0.021 | 47.394 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 382 | ASN | 0 | 0.013 | 0.022 | 42.308 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 383 | GLY | 0 | 0.029 | 0.001 | 45.975 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 384 | VAL | 0 | 0.004 | 0.000 | 41.435 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 385 | ALA | 0 | 0.058 | 0.011 | 42.209 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 386 | ALA | 0 | 0.008 | 0.022 | 44.576 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 387 | LEU | 0 | 0.105 | 0.041 | 47.072 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 388 | HIS | 0 | -0.022 | -0.023 | 46.585 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 389 | THR | 0 | 0.000 | -0.018 | 46.833 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 390 | ASP | -1 | -0.911 | -0.959 | 49.506 | -5.831 | -5.831 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 391 | ILE | 0 | -0.025 | -0.008 | 52.285 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 392 | LEU | 0 | -0.049 | -0.018 | 49.251 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 393 | LYS | 1 | 0.938 | 0.979 | 51.329 | 5.981 | 5.981 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 394 | ASN | 0 | -0.019 | -0.008 | 55.364 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 395 | SER | 0 | -0.059 | -0.036 | 57.250 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 396 | GLU | -1 | -0.850 | -0.916 | 55.147 | -5.382 | -5.382 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 397 | LEU | 0 | -0.008 | -0.015 | 52.676 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 398 | LYS | 1 | 0.837 | 0.923 | 56.651 | 5.006 | 5.006 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 399 | PRO | 0 | 0.036 | 0.011 | 59.271 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 400 | PHE | 0 | 0.042 | 0.004 | 56.520 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 401 | TYR | 0 | -0.006 | 0.002 | 54.904 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 402 | ASP | -1 | -0.857 | -0.919 | 57.554 | -4.973 | -4.973 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 403 | ILE | 0 | -0.116 | -0.053 | 59.468 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 404 | TYR | 0 | -0.055 | -0.032 | 55.280 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 405 | PRO | 0 | 0.011 | 0.021 | 55.152 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 406 | GLU | -1 | -0.930 | -0.992 | 53.630 | -5.593 | -5.593 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 407 | LYS | 1 | 0.868 | 0.976 | 50.901 | 5.555 | 5.555 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 408 | PHE | 0 | -0.011 | 0.004 | 49.592 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 409 | ASN | 0 | -0.028 | -0.023 | 45.169 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 410 | ASN | 0 | 0.064 | 0.007 | 43.779 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 411 | LYS | 1 | 0.784 | 0.918 | 39.979 | 6.998 | 6.998 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 412 | THR | 0 | 0.016 | 0.019 | 39.454 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 413 | ASN | 0 | 0.050 | 0.014 | 37.345 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 414 | GLY | 0 | 0.052 | 0.004 | 33.943 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 415 | ILE | 0 | -0.065 | -0.051 | 30.281 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 416 | THR | 0 | 0.010 | -0.026 | 25.270 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 417 | PHE | 0 | 0.051 | -0.008 | 25.344 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 418 | ARG | 1 | 0.878 | 0.946 | 20.270 | 11.477 | 11.477 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 419 | ARG | 1 | 0.870 | 0.954 | 21.761 | 11.830 | 11.830 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 420 | TRP | 0 | 0.011 | -0.033 | 23.433 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 421 | LEU | 0 | 0.039 | 0.026 | 23.537 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 422 | GLU | -1 | -0.803 | -0.895 | 18.989 | -14.676 | -14.676 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 423 | PHE | 0 | -0.082 | -0.029 | 17.638 | -0.888 | -0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 424 | ALA | 0 | -0.038 | -0.012 | 19.941 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 425 | ASN | 0 | 0.002 | 0.014 | 22.856 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 426 | GLN | 0 | 0.081 | 0.029 | 15.971 | -0.950 | -0.950 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 427 | ASP | -1 | -0.900 | -0.942 | 19.925 | -15.583 | -15.583 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 428 | LEU | 0 | -0.042 | -0.014 | 21.654 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 429 | ALA | 0 | 0.016 | 0.004 | 20.391 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 430 | ALA | 0 | -0.042 | -0.024 | 18.818 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 431 | TYR | 0 | 0.061 | 0.023 | 20.535 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 432 | ILE | 0 | 0.022 | 0.005 | 23.893 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 433 | LYS | 1 | 0.865 | 0.937 | 17.806 | 15.849 | 15.849 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 434 | GLU | -1 | -0.999 | -0.993 | 21.977 | -14.185 | -14.185 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 435 | LEU | 0 | -0.092 | -0.027 | 23.673 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 436 | ILE | 0 | -0.057 | -0.030 | 26.940 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 437 | GLY | 0 | -0.023 | 0.003 | 24.241 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 438 | GLU | -1 | -0.973 | -1.014 | 18.491 | -15.261 | -15.261 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 439 | GLY | 0 | 0.051 | 0.034 | 22.842 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 440 | TYR | 0 | -0.027 | -0.038 | 22.465 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 441 | LEU | 0 | -0.090 | -0.038 | 19.752 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 442 | GLU | -1 | -0.962 | -0.976 | 23.998 | -10.863 | -10.863 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 443 | ASP | -1 | -0.825 | -0.845 | 26.144 | -8.880 | -8.880 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 444 | ALA | 0 | 0.005 | 0.013 | 28.954 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 445 | THR | 0 | -0.083 | -0.110 | 29.834 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 446 | GLU | -1 | -0.859 | -0.931 | 29.287 | -10.052 | -10.052 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 447 | LEU | 0 | 0.009 | -0.014 | 28.038 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 448 | GLU | -1 | -0.896 | -0.949 | 31.326 | -8.100 | -8.100 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 449 | LYS | 1 | 0.835 | 0.913 | 29.869 | 10.246 | 10.246 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 450 | LEU | 0 | -0.003 | -0.009 | 29.388 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 451 | LEU | 0 | -0.003 | 0.007 | 33.230 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 452 | ALA | 0 | -0.033 | -0.007 | 35.553 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 453 | PHE | 0 | -0.011 | -0.001 | 31.774 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 454 | ALA | 0 | -0.006 | -0.005 | 35.576 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 455 | ASP | -1 | -0.938 | -0.978 | 38.173 | -7.624 | -7.624 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 456 | ASP | -1 | -0.899 | -0.952 | 33.971 | -9.407 | -9.407 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 457 | LYS | 1 | 0.978 | 0.961 | 35.588 | 7.769 | 7.769 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 458 | THR | 0 | -0.009 | 0.004 | 30.291 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 459 | VAL | 0 | 0.029 | 0.019 | 30.793 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 460 | HIS | 0 | -0.069 | -0.028 | 31.702 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 461 | GLU | -1 | -0.963 | -0.973 | 31.415 | -9.910 | -9.910 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 462 | GLN | 0 | -0.023 | -0.009 | 26.139 | -0.673 | -0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 463 | LEU | 0 | 0.021 | 0.014 | 28.572 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 464 | ALA | 0 | 0.046 | 0.027 | 30.329 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 465 | LYS | 1 | 0.932 | 0.975 | 23.494 | 12.993 | 12.993 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 466 | ILE | 0 | 0.008 | -0.002 | 23.982 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 467 | LYS | 1 | 0.796 | 0.906 | 26.816 | 10.011 | 10.011 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 468 | PHE | 0 | 0.004 | 0.002 | 28.344 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 469 | ASN | 0 | 0.017 | -0.015 | 23.628 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 470 | ASN | 0 | -0.023 | -0.025 | 24.575 | -0.736 | -0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 471 | LYS | 1 | 0.835 | 0.918 | 26.361 | 9.535 | 9.535 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 472 | LEU | 0 | -0.043 | -0.002 | 25.465 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 473 | ALA | 0 | -0.061 | -0.043 | 23.117 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 474 | LEU | 0 | 0.014 | 0.013 | 24.444 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 475 | LYS | 1 | 0.868 | 0.933 | 27.530 | 10.364 | 10.364 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 476 | ARG | 1 | 0.896 | 0.944 | 20.662 | 14.503 | 14.503 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 477 | TYR | 0 | 0.067 | 0.035 | 24.757 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 478 | LEU | 0 | 0.023 | -0.004 | 26.379 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 479 | LYS | 1 | 0.938 | 0.979 | 28.709 | 11.024 | 11.024 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 480 | GLU | -1 | -0.972 | -0.986 | 24.683 | -12.058 | -12.058 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 481 | ASN | 0 | -0.048 | -0.017 | 25.073 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 482 | LYS | 1 | 0.803 | 0.903 | 29.157 | 10.007 | 10.007 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 483 | GLY | 0 | 0.048 | 0.045 | 32.297 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 484 | ILE | 0 | -0.029 | -0.017 | 33.197 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 485 | ASN | 0 | -0.078 | -0.045 | 32.999 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 486 | LEU | 0 | 0.043 | 0.027 | 31.413 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 487 | ASP | -1 | -0.860 | -0.949 | 33.611 | -9.017 | -9.017 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 488 | GLU | -1 | -0.848 | -0.916 | 30.773 | -9.994 | -9.994 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 489 | ASN | 0 | -0.071 | -0.027 | 33.074 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 490 | SER | 0 | -0.047 | 0.001 | 35.734 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 491 | ILE | 0 | 0.023 | 0.011 | 36.758 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 492 | ILE | 0 | -0.019 | -0.005 | 33.324 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 493 | ASP | -1 | -0.785 | -0.916 | 37.360 | -7.665 | -7.665 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 494 | THR | 0 | 0.013 | -0.026 | 34.923 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 495 | GLN | 0 | 0.029 | 0.024 | 38.042 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 496 | ILE | 0 | -0.035 | -0.013 | 33.699 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 497 | LYS | 1 | 0.898 | 0.951 | 37.756 | 7.705 | 7.705 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 498 | ARG | 1 | 0.947 | 0.979 | 39.978 | 6.922 | 6.922 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 499 | PHE | 0 | 0.013 | 0.007 | 41.449 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 500 | HIS | 0 | 0.002 | -0.011 | 45.020 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 501 | GLU | -1 | -0.781 | -0.882 | 48.091 | -5.802 | -5.802 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 502 | TYR | 0 | 0.008 | 0.015 | 46.849 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 503 | LYS | 1 | 0.852 | 0.927 | 42.909 | 7.008 | 7.008 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 504 | ARG | 1 | 0.787 | 0.882 | 46.765 | 6.063 | 6.063 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 505 | GLN | 0 | 0.042 | 0.010 | 42.931 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 506 | GLN | 0 | -0.017 | -0.023 | 46.784 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 507 | MET | 0 | -0.020 | -0.001 | 50.048 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 508 | ASN | 0 | 0.015 | 0.009 | 43.672 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 509 | ALA | 0 | 0.010 | -0.004 | 47.972 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 510 | LEU | 0 | -0.016 | -0.013 | 49.052 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 511 | TYR | 0 | 0.010 | 0.000 | 46.934 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 512 | VAL | 0 | 0.002 | 0.010 | 46.338 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 513 | ILE | 0 | -0.026 | 0.003 | 49.274 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 514 | TYR | 0 | 0.014 | 0.001 | 52.357 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 515 | LYS | 1 | 0.904 | 0.971 | 48.294 | 6.665 | 6.665 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 516 | TYR | 0 | 0.023 | -0.005 | 50.825 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 517 | LEU | 0 | -0.027 | -0.021 | 51.987 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 518 | GLU | -1 | -0.946 | -0.981 | 53.592 | -5.638 | -5.638 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 519 | ILE | 0 | 0.016 | 0.010 | 48.697 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 520 | LYS | 1 | 0.862 | 0.945 | 53.196 | 5.995 | 5.995 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 521 | LYS | 1 | 0.820 | 0.922 | 55.844 | 5.550 | 5.550 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 522 | GLY | 0 | -0.010 | 0.009 | 55.670 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 523 | ASN | 0 | -0.084 | -0.035 | 55.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 524 | LEU | 0 | -0.015 | 0.005 | 50.296 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 525 | PRO | 0 | -0.037 | -0.016 | 46.846 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 526 | LYS | 1 | 0.947 | 0.974 | 46.237 | 6.499 | 6.499 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 527 | ARG | 1 | 0.929 | 0.982 | 38.782 | 7.969 | 7.969 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 528 | LYS | 1 | 0.909 | 0.976 | 39.588 | 8.155 | 8.155 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 529 | ILE | 0 | -0.011 | 0.005 | 41.262 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 530 | THR | 0 | -0.019 | -0.041 | 37.344 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 531 | VAL | 0 | -0.008 | 0.014 | 39.436 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 532 | ILE | 0 | -0.031 | -0.014 | 34.835 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 533 | PHE | 0 | 0.016 | -0.003 | 38.836 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 534 | GLY | 0 | 0.019 | -0.009 | 36.861 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 535 | GLY | 0 | 0.010 | -0.007 | 37.917 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 536 | LYS | 1 | 0.898 | 0.974 | 35.547 | 8.448 | 8.448 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 537 | ALA | 0 | 0.055 | 0.022 | 40.992 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 538 | ALA | 0 | 0.030 | 0.017 | 44.726 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 539 | PRO | 0 | 0.062 | 0.033 | 45.313 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 540 | ALA | 0 | 0.061 | 0.042 | 48.152 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 541 | TYR | 0 | -0.071 | -0.045 | 49.099 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 542 | THR | 0 | 0.020 | 0.003 | 50.798 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 543 | ILE | 0 | 0.044 | 0.028 | 52.658 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 544 | ALA | 0 | -0.009 | 0.007 | 47.951 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 545 | GLN | 0 | 0.018 | -0.010 | 47.578 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 546 | ASP | -1 | -0.760 | -0.851 | 49.339 | -5.854 | -5.854 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 547 | ILE | 0 | -0.021 | -0.006 | 47.772 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 548 | ILE | 0 | -0.020 | -0.005 | 44.117 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 549 | HIS | 0 | -0.014 | -0.033 | 46.747 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 550 | LEU | 0 | 0.005 | 0.010 | 49.016 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 551 | ILE | 0 | -0.011 | -0.006 | 44.083 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 552 | LEU | 0 | -0.042 | -0.007 | 42.604 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 553 | CYS | 0 | -0.008 | 0.036 | 46.014 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 554 | LEU | 0 | -0.020 | -0.011 | 47.896 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 555 | SER | 0 | -0.040 | -0.010 | 43.215 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 556 | GLU | -1 | -0.902 | -0.943 | 45.092 | -6.767 | -6.767 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 557 | LEU | 0 | 0.016 | 0.003 | 46.681 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 558 | ILE | 0 | -0.086 | -0.045 | 45.571 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 559 | ASN | 0 | 0.002 | -0.018 | 41.957 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 560 | ASN | 0 | -0.079 | -0.034 | 44.475 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 561 | ASP | -1 | -0.777 | -0.888 | 46.990 | -6.112 | -6.112 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 562 | PRO | 0 | -0.061 | -0.012 | 47.744 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 563 | ASP | -1 | -0.918 | -0.962 | 48.657 | -6.168 | -6.168 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 564 | VAL | 0 | -0.015 | -0.025 | 48.282 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 565 | SER | 0 | 0.017 | 0.000 | 44.164 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 566 | PRO | 0 | -0.083 | -0.044 | 43.616 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 567 | TYR | 0 | -0.035 | -0.031 | 43.857 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 568 | LEU | 0 | -0.035 | -0.018 | 44.377 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 569 | ASN | 0 | 0.011 | 0.015 | 38.871 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 570 | VAL | 0 | -0.010 | -0.006 | 42.193 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 571 | PHE | 0 | 0.017 | -0.006 | 37.668 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 572 | LEU | 0 | 0.016 | 0.020 | 39.371 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 573 | VAL | 0 | 0.008 | 0.005 | 32.878 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 574 | GLU | -1 | -0.860 | -0.926 | 35.505 | -8.281 | -8.281 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 575 | ASN | 0 | -0.012 | -0.018 | 32.786 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 576 | TYR | 0 | -0.012 | -0.005 | 32.998 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 577 | ASN | 0 | 0.018 | -0.002 | 29.562 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 578 | VAL | 0 | 0.011 | 0.021 | 26.476 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 579 | THR | 0 | -0.031 | -0.024 | 24.165 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 580 | VAL | 0 | -0.015 | 0.006 | 26.482 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 581 | ALA | 0 | -0.021 | -0.019 | 29.249 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 582 | GLU | -1 | -0.866 | -0.952 | 23.751 | -12.486 | -12.486 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 583 | LYS | 1 | 0.911 | 0.978 | 21.388 | 13.259 | 13.259 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 584 | LEU | 0 | 0.043 | 0.002 | 26.972 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 585 | ILE | 0 | -0.050 | -0.006 | 29.627 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 586 | PRO | 0 | 0.030 | 0.016 | 25.761 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 587 | ALA | 0 | -0.030 | -0.002 | 28.470 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 588 | THR | 0 | -0.032 | 0.013 | 30.275 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 589 | ASP | -1 | -0.810 | -0.894 | 33.766 | -9.258 | -9.258 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 590 | ILE | 0 | 0.020 | -0.001 | 36.514 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 591 | SER | 0 | 0.000 | 0.013 | 37.313 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 592 | GLU | -1 | -0.740 | -0.893 | 38.932 | -7.018 | -7.018 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 593 | GLN | 0 | -0.112 | -0.067 | 38.594 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 594 | ILE | 0 | 0.056 | 0.033 | 43.167 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 595 | SER | 0 | -0.052 | -0.024 | 45.685 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 596 | LEU | 0 | -0.041 | -0.015 | 47.897 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 597 | ALA | 0 | 0.045 | 0.028 | 50.478 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 598 | SER | 0 | 0.008 | 0.009 | 51.978 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 599 | LYS | 1 | 0.831 | 0.932 | 50.153 | 5.819 | 5.819 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 600 | GLU | -1 | -0.852 | -0.926 | 44.989 | -7.060 | -7.060 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 601 | ALA | 0 | 0.050 | 0.041 | 45.448 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 602 | SER | 0 | 0.038 | 0.004 | 40.753 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 603 | GLY | 0 | -0.017 | -0.008 | 39.935 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 604 | THR | 0 | 0.054 | 0.005 | 34.534 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 605 | GLY | 0 | -0.063 | -0.031 | 34.812 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 606 | ASN | 0 | 0.087 | 0.024 | 35.336 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 607 | MET | 0 | 0.004 | 0.047 | 34.452 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 608 | LYS | 1 | 0.897 | 0.972 | 30.751 | 9.313 | 9.313 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 609 | PHE | 0 | -0.006 | -0.023 | 31.711 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 610 | MET | 0 | -0.011 | 0.029 | 33.673 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 611 | LEU | 0 | 0.013 | 0.002 | 27.710 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 612 | ASN | 0 | -0.064 | -0.036 | 27.481 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 613 | GLY | 0 | 0.021 | 0.003 | 30.170 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 614 | ALA | 0 | -0.044 | -0.016 | 32.795 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 615 | LEU | 0 | -0.016 | 0.006 | 35.543 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 616 | THR | 0 | 0.000 | -0.010 | 39.237 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 617 | LEU | 0 | 0.009 | 0.002 | 41.203 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 618 | GLY | 0 | -0.013 | -0.028 | 44.357 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 619 | THR | 0 | -0.011 | 0.010 | 46.222 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 620 | MET | 0 | 0.026 | 0.020 | 47.703 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 621 | ASP | -1 | -0.781 | -0.927 | 47.878 | -6.261 | -6.261 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 622 | GLY | 0 | -0.020 | 0.003 | 45.350 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 623 | ALA | 0 | 0.007 | -0.004 | 40.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 624 | ASN | 0 | -0.068 | -0.038 | 42.519 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 625 | VAL | 0 | 0.000 | 0.018 | 44.013 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 626 | GLU | -1 | -0.850 | -0.939 | 42.046 | -7.154 | -7.154 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 627 | ILE | 0 | -0.046 | -0.032 | 39.053 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 628 | ALA | 0 | -0.028 | -0.032 | 41.831 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 629 | GLU | -1 | -0.999 | -0.973 | 44.997 | -6.609 | -6.609 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 630 | LEU | 0 | -0.042 | -0.009 | 38.800 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 631 | VAL | 0 | -0.075 | -0.036 | 39.846 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 632 | GLY | 0 | 0.043 | 0.031 | 42.505 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 633 | SER | 0 | 0.037 | -0.008 | 45.556 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 634 | ASP | -1 | -0.898 | -0.944 | 47.144 | -6.549 | -6.549 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 635 | ASN | 0 | -0.146 | -0.091 | 41.803 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 636 | ILE | 0 | 0.034 | 0.016 | 42.369 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 637 | TYR | 0 | -0.029 | -0.029 | 43.861 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 638 | ILE | 0 | 0.006 | -0.009 | 46.530 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 639 | PHE | 0 | -0.059 | -0.028 | 47.846 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 640 | GLY | 0 | 0.006 | 0.011 | 51.779 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 641 | LYS | 1 | 0.877 | 0.942 | 54.156 | 5.432 | 5.432 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 642 | ASP | -1 | -0.850 | -0.913 | 54.695 | -5.693 | -5.693 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 643 | SER | 0 | 0.056 | 0.003 | 53.384 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 644 | ASP | -1 | -0.871 | -0.939 | 55.300 | -5.382 | -5.382 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 645 | THR | 0 | -0.031 | -0.022 | 58.725 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 646 | ILE | 0 | -0.012 | -0.014 | 55.793 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 647 | ILE | 0 | -0.011 | 0.003 | 56.393 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 648 | ASP | -1 | -0.838 | -0.913 | 59.754 | -4.774 | -4.774 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 649 | LEU | 0 | -0.021 | -0.008 | 61.411 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 650 | TYR | 0 | -0.093 | -0.096 | 57.016 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 651 | ASP | -1 | -0.958 | -0.962 | 62.515 | -4.717 | -4.717 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 652 | LYS | 1 | 0.809 | 0.900 | 65.160 | 4.769 | 4.769 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 653 | GLY | 0 | 0.018 | 0.021 | 65.854 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 654 | THR | 0 | -0.057 | -0.039 | 66.872 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 655 | TYR | 0 | -0.059 | -0.034 | 59.720 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 656 | VAL | 0 | 0.033 | 0.020 | 65.083 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 657 | SER | 0 | -0.027 | -0.033 | 61.307 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 658 | LYS | 1 | 1.009 | 0.989 | 63.318 | 4.604 | 4.604 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 659 | ASP | -1 | -0.874 | -0.929 | 65.998 | -4.620 | -4.620 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 660 | TYR | 0 | -0.036 | -0.027 | 61.863 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 661 | TYR | 0 | -0.047 | -0.080 | 62.256 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 662 | THR | 0 | -0.050 | -0.033 | 63.777 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 663 | ASN | 0 | -0.026 | -0.008 | 66.823 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 664 | ASN | 0 | -0.041 | -0.010 | 62.256 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 665 | ALA | 0 | 0.035 | 0.016 | 63.085 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 666 | VAL | 0 | 0.009 | -0.001 | 57.568 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 667 | ILE | 0 | -0.020 | 0.005 | 58.582 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 668 | LYS | 1 | 0.896 | 0.953 | 59.896 | 4.844 | 4.844 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 669 | GLU | -1 | -0.918 | -0.959 | 60.043 | -5.299 | -5.299 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 670 | ALA | 0 | 0.017 | 0.007 | 55.771 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 671 | VAL | 0 | 0.004 | -0.013 | 57.329 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 672 | ASP | -1 | -0.800 | -0.873 | 59.003 | -5.046 | -5.046 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 673 | PHE | 0 | -0.006 | -0.002 | 53.781 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 674 | ILE | 0 | 0.003 | 0.009 | 55.127 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 675 | VAL | 0 | -0.002 | 0.002 | 57.039 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 676 | SER | 0 | -0.052 | -0.019 | 57.881 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 677 | LYS | 1 | 0.952 | 0.946 | 59.239 | 4.999 | 4.999 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 678 | ASP | -1 | -0.882 | -0.932 | 55.551 | -5.672 | -5.672 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 679 | VAL | 0 | 0.005 | 0.010 | 53.384 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 680 | LEU | 0 | -0.058 | -0.042 | 55.163 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 681 | ALA | 0 | -0.067 | -0.022 | 56.635 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 682 | LEU | 0 | -0.012 | 0.010 | 50.628 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 683 | GLY | 0 | 0.049 | 0.019 | 52.339 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 684 | LYS | 1 | 0.807 | 0.909 | 52.855 | 6.007 | 6.007 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 685 | LYS | 1 | 0.902 | 0.930 | 55.982 | 4.998 | 4.998 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 686 | GLU | -1 | -0.889 | -0.936 | 58.281 | -5.375 | -5.375 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 687 | ARG | 1 | 0.898 | 0.942 | 51.773 | 6.088 | 6.088 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 688 | LEU | 0 | 0.042 | 0.025 | 53.425 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 689 | GLU | -1 | -0.835 | -0.922 | 56.788 | -4.989 | -4.989 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 690 | ARG | 1 | 0.758 | 0.868 | 55.446 | 5.638 | 5.638 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 691 | LEU | 0 | -0.006 | -0.002 | 53.189 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 692 | TYR | 0 | -0.007 | -0.005 | 57.295 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 693 | HIS | 0 | -0.020 | -0.022 | 59.590 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 694 | GLU | -1 | -0.879 | -0.934 | 57.408 | -5.283 | -5.283 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 695 | LEU | 0 | 0.010 | -0.009 | 55.347 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 696 | ILE | 0 | -0.048 | 0.020 | 59.542 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 697 | ASN | 0 | -0.053 | -0.039 | 63.189 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 698 | LYS | 1 | 0.917 | 0.967 | 59.995 | 5.283 | 5.283 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 699 | ASP | -1 | -0.712 | -0.831 | 57.070 | -5.575 | -5.575 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 700 | TRP | 0 | 0.060 | 0.031 | 57.152 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 701 | PHE | 0 | -0.007 | 0.012 | 53.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 702 | MET | 0 | -0.007 | 0.005 | 54.973 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 703 | THR | 0 | 0.012 | -0.024 | 53.054 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 704 | LEU | 0 | -0.049 | -0.036 | 55.222 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 705 | ILE | 0 | -0.065 | -0.005 | 56.586 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 706 | ASP | -1 | -0.723 | -0.874 | 53.854 | -5.781 | -5.781 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 707 | LEU | 0 | -0.012 | 0.017 | 53.554 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 708 | LYS | 1 | 0.960 | 0.966 | 54.616 | 5.277 | 5.277 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 709 | GLU | -1 | -0.891 | -0.965 | 54.325 | -5.817 | -5.817 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 710 | TYR | 0 | -0.031 | -0.009 | 46.078 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 711 | ILE | 0 | -0.007 | -0.014 | 51.081 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 712 | ALA | 0 | -0.041 | -0.016 | 51.845 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 713 | LYS | 1 | 0.927 | 0.986 | 49.092 | 6.327 | 6.327 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 714 | LYS | 1 | 0.846 | 0.944 | 44.287 | 7.019 | 7.019 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 715 | GLU | -1 | -0.859 | -0.952 | 47.737 | -6.616 | -6.616 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 716 | GLU | -1 | -0.902 | -0.952 | 49.497 | -6.414 | -6.414 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 717 | MET | 0 | -0.019 | 0.013 | 41.744 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 718 | LEU | 0 | -0.054 | -0.041 | 43.732 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 719 | ALA | 0 | -0.040 | -0.021 | 45.301 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 720 | ASP | -1 | -0.829 | -0.902 | 45.463 | -6.872 | -6.872 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 721 | TYR | 0 | -0.058 | -0.028 | 36.484 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 722 | GLU | -1 | -0.949 | -0.996 | 41.567 | -7.651 | -7.651 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 723 | ASP | -1 | -0.874 | -0.898 | 42.952 | -7.567 | -7.567 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 724 | GLN | 0 | 0.043 | -0.003 | 36.803 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 725 | ASN | 0 | -0.020 | -0.021 | 38.358 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 726 | VAL | 0 | -0.021 | -0.010 | 40.179 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 727 | TRP | 0 | 0.046 | 0.024 | 37.178 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 728 | ASN | 0 | -0.034 | -0.053 | 35.315 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 729 | LYS | 1 | 0.956 | 1.005 | 36.908 | 7.540 | 7.540 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 730 | LYS | 1 | 0.889 | 0.956 | 39.444 | 7.238 | 7.238 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 731 | VAL | 0 | -0.002 | 0.027 | 33.999 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 732 | ILE | 0 | -0.026 | -0.003 | 34.134 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 733 | GLN | 0 | -0.036 | -0.018 | 35.728 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 734 | ASN | 0 | -0.051 | -0.041 | 36.498 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 735 | ILE | 0 | 0.009 | -0.001 | 30.296 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 736 | ALA | 0 | -0.028 | -0.004 | 32.602 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 737 | LYS | 1 | 0.919 | 0.968 | 34.518 | 7.940 | 7.940 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 738 | ALA | 0 | 0.010 | 0.004 | 32.268 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 739 | GLY | 0 | 0.008 | 0.003 | 31.682 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 740 | PHE | 0 | 0.008 | 0.010 | 32.696 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 741 | PHE | 0 | 0.003 | -0.016 | 34.155 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 742 | SER | 0 | 0.044 | 0.040 | 29.122 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 743 | SER | 0 | -0.026 | -0.048 | 29.172 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 744 | ASP | -1 | -0.775 | -0.881 | 27.024 | -10.531 | -10.531 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 745 | ARG | 1 | 0.841 | 0.943 | 30.410 | 8.404 | 8.404 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 746 | THR | 0 | -0.034 | -0.037 | 33.692 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 747 | ILE | 0 | 0.002 | 0.003 | 31.713 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 748 | GLN | 0 | 0.018 | 0.016 | 30.803 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 749 | GLN | 0 | 0.003 | -0.003 | 34.848 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 750 | TYR | 0 | 0.029 | 0.007 | 36.951 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 751 | ASP | -1 | -0.846 | -0.925 | 35.660 | -7.878 | -7.878 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 752 | LYS | 1 | 0.957 | 0.989 | 37.718 | 7.323 | 7.323 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 753 | ASP | -1 | -0.940 | -0.983 | 39.860 | -6.805 | -6.805 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 754 | ILE | 0 | -0.088 | -0.039 | 41.462 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 755 | TRP | 0 | -0.071 | -0.052 | 34.702 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 756 | HIS | 0 | -0.043 | -0.025 | 39.841 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 757 | SER | 0 | -0.072 | -0.029 | 35.470 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 758 | LEU | 0 | -0.075 | -0.037 | 31.595 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |