FMODB ID: 661NZ
Calculation Name: 3OPB-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3OPB
Chain ID: A
UniProt ID: P51534
Base Structure: X-ray
Registration Date: 2023-06-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 753 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -16528764.912852 |
---|---|
FMO2-HF: Nuclear repulsion | 16229787.43946 |
FMO2-HF: Total energy | -298977.473392 |
FMO2-MP2: Total energy | -299852.102193 |
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:2:PRO)
Summations of interaction energy for
fragment #1(A:2:PRO)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-13.539 | -8.587 | 11.253 | -6.759 | -9.449 | -0.032 |
Interaction energy analysis for fragmet #1(A:2:PRO)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 4 | SER | 0 | 0.077 | 0.031 | 3.196 | -2.988 | 0.365 | 0.004 | -1.688 | -1.670 | 0.001 |
4 | A | 5 | GLU | -1 | -0.808 | -0.839 | 2.056 | -8.719 | -9.501 | 9.231 | -3.452 | -4.997 | -0.022 |
5 | A | 6 | LYS | 1 | 0.845 | 0.925 | 3.366 | 0.485 | 0.945 | 0.002 | -0.084 | -0.379 | 0.000 |
6 | A | 7 | GLY | 0 | 0.053 | 0.021 | 5.701 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | ASN | 0 | -0.056 | -0.035 | 9.278 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | ASP | -1 | -0.929 | -0.954 | 11.268 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | PRO | 0 | -0.070 | -0.027 | 6.994 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | ILE | 0 | 0.028 | -0.003 | 6.909 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | ASP | -1 | -0.849 | -0.935 | 5.016 | -1.093 | -1.093 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | SER | 0 | -0.046 | -0.043 | 2.178 | -1.976 | -0.201 | 2.014 | -1.477 | -2.313 | -0.011 |
13 | A | 14 | SER | 0 | 0.031 | 0.017 | 4.062 | 0.289 | 0.435 | 0.002 | -0.058 | -0.090 | 0.000 |
14 | A | 15 | THR | 0 | -0.074 | -0.054 | 7.401 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | ILE | 0 | -0.020 | -0.013 | 5.833 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | ASP | -1 | -0.869 | -0.928 | 7.433 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | SER | 0 | 0.001 | -0.015 | 9.847 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LEU | 0 | -0.015 | -0.004 | 11.773 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | CYS | 0 | -0.023 | -0.008 | 11.611 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | ALA | 0 | 0.047 | 0.023 | 13.657 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | ALA | 0 | -0.050 | -0.026 | 15.451 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | PHE | 0 | -0.028 | -0.015 | 16.002 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ASP | -1 | -0.849 | -0.907 | 16.877 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | LYS | 1 | 0.942 | 0.964 | 18.755 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | THR | 0 | -0.055 | -0.037 | 21.121 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | LEU | 0 | -0.012 | 0.014 | 19.896 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | LYS | 1 | 0.806 | 0.893 | 18.946 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | SER | 0 | -0.056 | -0.025 | 23.704 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | THR | 0 | -0.051 | -0.053 | 26.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | PRO | 0 | 0.057 | 0.032 | 29.061 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ASP | -1 | -0.863 | -0.928 | 31.027 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | VAL | 0 | 0.057 | 0.037 | 32.969 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | GLN | 0 | -0.069 | -0.030 | 32.427 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | LYS | 1 | 0.918 | 0.932 | 33.194 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | TYR | 0 | -0.055 | -0.040 | 36.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ASN | 0 | 0.074 | 0.013 | 37.194 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | ASP | -1 | -0.889 | -0.923 | 36.970 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | ALA | 0 | -0.022 | -0.019 | 39.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | ILE | 0 | -0.013 | 0.000 | 42.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ASN | 0 | 0.032 | 0.017 | 40.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | THR | 0 | -0.005 | -0.007 | 43.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | ILE | 0 | -0.001 | 0.006 | 45.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | PHE | 0 | -0.052 | -0.048 | 46.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | GLN | 0 | -0.008 | 0.012 | 46.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | LEU | 0 | -0.039 | -0.016 | 48.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | ARG | 1 | 0.848 | 0.929 | 48.637 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | GLN | 0 | -0.046 | -0.021 | 49.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | LYS | 1 | 0.957 | 0.970 | 53.815 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | SER | 0 | -0.020 | -0.016 | 57.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | GLU | -1 | -0.811 | -0.899 | 59.289 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | SER | 0 | 0.031 | 0.023 | 59.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | GLY | 0 | 0.025 | 0.025 | 56.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | LYS | 1 | 0.820 | 0.903 | 57.379 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | MET | 0 | -0.021 | 0.003 | 55.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | PRO | 0 | -0.009 | 0.002 | 56.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ALA | 0 | -0.006 | -0.014 | 59.937 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | ASP | -1 | -0.912 | -0.956 | 58.200 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | LEU | 0 | 0.018 | -0.005 | 54.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | THR | 0 | -0.024 | -0.014 | 59.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | ASN | 0 | 0.063 | 0.026 | 62.305 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | SER | 0 | -0.042 | -0.026 | 64.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | GLU | -1 | -0.811 | -0.899 | 63.370 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | ALA | 0 | 0.004 | 0.017 | 59.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | LEU | 0 | -0.023 | -0.009 | 58.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | LYS | 1 | 0.815 | 0.901 | 57.014 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | ASP | -1 | -0.836 | -0.937 | 54.647 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | ARG | 1 | 0.897 | 0.964 | 54.109 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | GLN | 0 | 0.013 | 0.027 | 53.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LYS | 1 | 0.941 | 0.968 | 47.502 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | ILE | 0 | 0.043 | 0.005 | 49.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | GLU | -1 | -0.829 | -0.917 | 50.132 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | GLU | -1 | -0.842 | -0.894 | 48.429 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | ILE | 0 | -0.049 | -0.026 | 44.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | LEU | 0 | -0.020 | -0.008 | 45.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | THR | 0 | 0.033 | -0.010 | 46.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | ARG | 1 | 0.840 | 0.920 | 42.068 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | SER | 0 | 0.017 | 0.006 | 41.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | TYR | 0 | -0.062 | -0.021 | 42.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | GLN | 0 | -0.063 | -0.037 | 44.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | ASP | -1 | -0.839 | -0.861 | 39.235 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | HIS | 0 | 0.047 | 0.004 | 34.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | SER | 0 | -0.069 | -0.042 | 36.740 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | GLU | -1 | -0.779 | -0.872 | 33.312 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | SER | 0 | 0.021 | -0.008 | 37.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | ARG | 1 | 0.954 | 1.000 | 39.381 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | VAL | 0 | -0.051 | -0.033 | 39.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | HIS | 0 | 0.007 | 0.007 | 39.541 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | LEU | 0 | 0.030 | 0.015 | 41.477 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | SER | 0 | 0.012 | -0.009 | 44.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | LYS | 1 | 0.800 | 0.916 | 42.118 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | LEU | 0 | 0.028 | 0.006 | 43.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | ILE | 0 | -0.024 | -0.002 | 46.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | GLN | 0 | -0.055 | -0.042 | 48.654 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | ASN | 0 | -0.075 | -0.022 | 47.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | ASP | -1 | -0.824 | -0.912 | 49.980 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ILE | 0 | 0.040 | 0.011 | 52.802 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | PRO | 0 | 0.028 | 0.017 | 54.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | PHE | 0 | 0.080 | 0.052 | 51.215 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | ALA | 0 | -0.028 | -0.015 | 52.845 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | LEU | 0 | -0.021 | -0.013 | 54.264 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | ASN | 0 | -0.069 | -0.039 | 57.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | LEU | 0 | -0.013 | -0.021 | 51.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | PHE | 0 | 0.035 | 0.000 | 50.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | GLU | -1 | -0.750 | -0.825 | 56.465 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | ILE | 0 | -0.110 | -0.042 | 58.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | LEU | 0 | -0.023 | -0.005 | 53.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | SER | 0 | 0.026 | 0.021 | 57.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | ARG | 1 | 0.949 | 0.980 | 58.318 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | SER | 0 | -0.046 | -0.019 | 56.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | SER | 0 | 0.025 | -0.015 | 54.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ILE | 0 | 0.047 | 0.018 | 54.350 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | HIS | 0 | -0.011 | -0.009 | 53.758 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | VAL | 0 | -0.017 | 0.002 | 49.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | PHE | 0 | 0.002 | 0.011 | 50.564 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | VAL | 0 | 0.053 | 0.004 | 52.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | GLY | 0 | -0.024 | 0.004 | 50.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | CYS | 0 | -0.027 | -0.011 | 46.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | PHE | 0 | -0.044 | -0.020 | 48.712 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | SER | 0 | -0.009 | -0.017 | 45.940 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | ASN | 0 | 0.019 | 0.008 | 48.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | LYS | 1 | 0.914 | 0.961 | 51.206 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | ASP | -1 | -0.862 | -0.906 | 53.199 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | ALA | 0 | 0.000 | 0.011 | 50.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | THR | 0 | -0.071 | -0.046 | 52.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | ILE | 0 | 0.024 | 0.012 | 55.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | ALA | 0 | 0.009 | 0.007 | 55.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | LEU | 0 | 0.008 | 0.002 | 56.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LEU | 0 | 0.006 | -0.003 | 58.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | ASN | 0 | -0.021 | 0.001 | 60.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | GLU | -1 | -0.774 | -0.893 | 59.354 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | LEU | 0 | -0.042 | -0.022 | 60.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | GLN | 0 | -0.012 | -0.007 | 63.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | ILE | 0 | 0.044 | 0.020 | 64.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | ARG | 1 | 0.760 | 0.883 | 60.106 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | ILE | 0 | -0.029 | -0.013 | 66.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | HIS | 0 | -0.047 | -0.023 | 69.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | TYR | 0 | 0.019 | -0.012 | 69.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | GLY | 0 | -0.019 | 0.002 | 71.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | GLU | -1 | -0.961 | -0.963 | 68.726 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ASH | 0 | -0.119 | -0.114 | 63.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | THR | 0 | 0.027 | 0.013 | 67.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | HIS | 1 | 0.870 | 0.930 | 63.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | VAL | 0 | 0.093 | 0.053 | 65.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | THR | 0 | -0.008 | -0.039 | 66.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | TYR | 0 | -0.046 | -0.012 | 57.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | LEU | 0 | 0.057 | 0.025 | 62.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | LEU | 0 | 0.021 | 0.002 | 63.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | SER | 0 | 0.003 | -0.013 | 62.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | ILE | 0 | -0.018 | 0.005 | 58.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | ILE | 0 | 0.009 | 0.014 | 60.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | LEU | 0 | 0.033 | 0.019 | 62.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | GLN | 0 | -0.008 | -0.012 | 58.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | LEU | 0 | -0.050 | -0.031 | 56.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | LEU | 0 | -0.046 | -0.037 | 59.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ASN | 0 | -0.025 | -0.021 | 60.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | LYS | 1 | 0.839 | 0.951 | 51.311 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | PHE | 0 | -0.067 | -0.038 | 52.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | LYS | 1 | 0.914 | 0.961 | 57.986 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | TYR | 0 | 0.040 | -0.006 | 58.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | ASN | 0 | 0.055 | 0.006 | 62.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | PHE | 0 | 0.084 | 0.080 | 64.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | LYS | 1 | 0.863 | 0.913 | 65.567 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | GLU | -1 | -0.829 | -0.934 | 60.624 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | VAL | 0 | 0.011 | 0.012 | 64.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | ARG | 1 | 0.946 | 0.993 | 66.592 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | PHE | 0 | -0.014 | -0.004 | 64.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | LEU | 0 | 0.017 | -0.002 | 66.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | VAL | 0 | 0.022 | 0.016 | 70.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | LYS | 1 | 0.853 | 0.921 | 73.557 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | GLU | -1 | -0.754 | -0.862 | 70.669 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | LEU | 0 | -0.029 | -0.015 | 70.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ILE | 0 | 0.007 | 0.000 | 74.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | LEU | 0 | -0.046 | -0.029 | 76.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | ARG | 1 | 0.781 | 0.884 | 71.656 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | ILE | 0 | -0.042 | -0.012 | 77.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | SER | 0 | -0.030 | -0.020 | 79.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | GLU | -1 | -0.860 | -0.907 | 75.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ASP | -1 | -0.823 | -0.924 | 77.425 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | GLU | -1 | -0.864 | -0.900 | 70.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | VAL | 0 | -0.014 | -0.013 | 72.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | LYS | 1 | 0.866 | 0.927 | 74.054 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | SER | 0 | -0.046 | -0.013 | 74.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | MET | 0 | -0.007 | -0.013 | 66.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | MET | 0 | -0.029 | 0.010 | 71.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | LEU | 0 | 0.021 | 0.018 | 73.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | ILE | 0 | -0.019 | -0.004 | 68.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | ILE | 0 | -0.007 | -0.011 | 67.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | PHE | 0 | -0.016 | -0.027 | 69.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | ALA | 0 | 0.016 | 0.020 | 71.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | GLU | -1 | -0.862 | -0.916 | 66.492 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | LEU | 0 | -0.036 | -0.026 | 67.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | GLN | 0 | -0.024 | -0.015 | 69.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | SER | 0 | 0.015 | 0.015 | 69.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | SER | 0 | -0.069 | -0.036 | 66.863 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | PHE | 0 | -0.066 | -0.044 | 65.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | GLN | 0 | 0.054 | 0.034 | 70.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | LYS | 1 | 1.019 | 0.998 | 74.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | ASP | -1 | -0.902 | -0.933 | 72.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | PHE | 0 | -0.022 | -0.008 | 72.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | ASP | -1 | -0.839 | -0.948 | 74.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | LYS | 1 | 0.854 | 0.922 | 76.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | ALA | 0 | 0.021 | 0.020 | 75.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | VAL | 0 | -0.010 | -0.003 | 76.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | VAL | 0 | 0.007 | 0.004 | 78.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ASP | -1 | -0.935 | -0.964 | 79.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | PHE | 0 | -0.022 | -0.023 | 78.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | MET | 0 | 0.016 | 0.002 | 80.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | SER | 0 | -0.012 | 0.009 | 83.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | SER | 0 | -0.029 | -0.017 | 82.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | LEU | 0 | -0.017 | -0.003 | 82.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | ILE | 0 | -0.013 | -0.020 | 85.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | VAL | 0 | -0.038 | -0.019 | 87.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | GLU | -1 | -0.891 | -0.951 | 83.570 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | ALA | 0 | -0.022 | -0.028 | 88.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | GLU | -1 | -1.015 | -0.996 | 91.069 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | ILE | 0 | -0.073 | -0.034 | 89.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | ASP | -1 | -0.967 | -0.955 | 92.686 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | VAL | 0 | -0.024 | -0.016 | 87.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | GLY | 0 | 0.044 | 0.008 | 85.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | ASN | 0 | -0.057 | -0.039 | 81.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | ASP | -1 | -0.702 | -0.794 | 85.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | PRO | 0 | 0.050 | 0.022 | 86.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | LEU | 0 | 0.037 | 0.006 | 87.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | SER | 0 | -0.026 | -0.019 | 87.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | ILE | 0 | -0.027 | 0.001 | 81.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | ILE | 0 | 0.042 | 0.028 | 84.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | VAL | 0 | 0.002 | 0.007 | 86.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | LYS | 1 | 0.879 | 0.923 | 84.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | THR | 0 | 0.020 | -0.015 | 80.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | LEU | 0 | -0.024 | -0.017 | 83.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | SER | 0 | 0.016 | -0.008 | 85.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | GLU | -1 | -0.913 | -0.946 | 80.505 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | LEU | 0 | -0.005 | -0.007 | 78.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | TYR | 0 | 0.012 | -0.012 | 81.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | PRO | 0 | -0.002 | -0.010 | 82.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | SER | 0 | -0.024 | -0.015 | 78.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | LEU | 0 | -0.012 | -0.005 | 77.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | THR | 0 | 0.022 | 0.028 | 81.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | THR | 0 | -0.009 | -0.021 | 83.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | LEU | 0 | 0.020 | 0.020 | 80.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | CYS | 0 | 0.041 | 0.034 | 83.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | SER | 0 | 0.088 | 0.050 | 86.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | GLU | -1 | -1.019 | -0.992 | 85.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | ILE | 0 | -0.041 | -0.019 | 83.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | PHE | 0 | -0.072 | -0.037 | 88.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | LEU | 0 | -0.033 | -0.011 | 91.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | THR | 0 | -0.019 | -0.039 | 90.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | LYS | 1 | 0.964 | 0.976 | 92.849 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | GLY | 0 | 0.029 | 0.015 | 95.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | LEU | 0 | 0.035 | 0.043 | 90.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | SER | 0 | 0.054 | 0.030 | 94.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | LYS | 1 | 0.897 | 0.946 | 97.119 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | LEU | 0 | 0.018 | -0.004 | 93.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | PHE | 0 | 0.023 | 0.010 | 90.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | LYS | 1 | 0.921 | 0.946 | 96.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | LYS | 1 | 0.914 | 0.970 | 98.031 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | ARG | 1 | 0.800 | 0.866 | 90.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | VAL | 0 | -0.062 | -0.020 | 97.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | PHE | 0 | -0.083 | -0.052 | 99.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | GLU | -1 | -0.956 | -0.965 | 101.681 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | GLU | -1 | -0.876 | -0.966 | 96.663 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | GLN | 0 | -0.074 | -0.021 | 99.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ASP | -1 | -0.686 | -0.850 | 93.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | LEU | 0 | -0.018 | 0.009 | 96.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | GLN | 0 | -0.026 | -0.028 | 89.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | PHE | 0 | 0.059 | 0.037 | 91.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | THR | 0 | 0.016 | -0.003 | 93.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | LYS | 1 | 0.857 | 0.931 | 92.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | GLU | -1 | -0.801 | -0.884 | 88.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | LEU | 0 | 0.027 | 0.030 | 91.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | LEU | 0 | -0.052 | -0.026 | 93.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | ARG | 1 | 0.839 | 0.897 | 88.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | LEU | 0 | -0.001 | 0.011 | 89.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | LEU | 0 | -0.002 | -0.005 | 91.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | SER | 0 | -0.002 | -0.007 | 93.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | SER | 0 | -0.012 | -0.009 | 87.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | ALA | 0 | 0.010 | 0.016 | 89.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | CYS | 0 | -0.118 | -0.044 | 91.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | ILE | 0 | -0.017 | -0.015 | 88.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | ASP | -1 | -0.812 | -0.888 | 92.415 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | GLU | -1 | -0.854 | -0.928 | 94.177 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | THR | 0 | -0.003 | -0.015 | 96.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | MET | 0 | 0.039 | 0.040 | 92.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | ARG | 1 | 0.812 | 0.922 | 96.337 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | THR | 0 | 0.004 | -0.018 | 98.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | TYR | 0 | -0.032 | -0.017 | 96.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ILE | 0 | -0.005 | -0.031 | 95.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | THR | 0 | -0.067 | -0.032 | 99.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | GLU | -1 | -0.970 | -0.992 | 103.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | ASN | 0 | -0.007 | 0.014 | 100.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | TYR | 0 | 0.002 | -0.006 | 96.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | LEU | 0 | 0.041 | 0.016 | 102.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | GLN | 0 | 0.027 | 0.009 | 105.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | LEU | 0 | 0.012 | 0.006 | 99.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | LEU | 0 | 0.033 | 0.026 | 99.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | GLU | -1 | -0.841 | -0.911 | 103.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | ARG | 1 | 0.916 | 0.968 | 102.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | SER | 0 | -0.035 | -0.032 | 102.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | LEU | 0 | -0.100 | -0.036 | 104.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | ASN | 0 | -0.034 | -0.014 | 105.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | VAL | 0 | 0.026 | 0.015 | 102.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | GLU | -1 | -0.774 | -0.867 | 100.624 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | ASP | -1 | -0.943 | -0.980 | 97.968 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | VAL | 0 | -0.072 | -0.055 | 97.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | GLN | 0 | 0.011 | 0.020 | 99.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | ILE | 0 | -0.010 | -0.022 | 97.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | TYR | 0 | 0.054 | 0.013 | 92.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | SER | 0 | 0.035 | 0.035 | 97.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | ALA | 0 | 0.058 | 0.017 | 100.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | LEU | 0 | -0.015 | -0.005 | 94.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | VAL | 0 | 0.041 | 0.029 | 96.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | LEU | 0 | 0.034 | 0.035 | 99.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | VAL | 0 | -0.089 | -0.042 | 100.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | LYS | 1 | 0.816 | 0.910 | 92.779 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | THR | 0 | 0.031 | -0.002 | 98.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | TRP | 0 | 0.001 | -0.009 | 100.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | SER | 0 | 0.038 | 0.025 | 103.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | PHE | 0 | -0.021 | -0.017 | 105.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | THR | 0 | -0.145 | -0.065 | 107.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | LYS | 1 | 0.930 | 0.969 | 109.408 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | LEU | 0 | 0.028 | 0.010 | 107.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | THR | 0 | -0.002 | 0.006 | 112.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | CYS | 0 | -0.048 | -0.027 | 111.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | ILE | 0 | -0.020 | 0.003 | 108.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | ASN | 0 | 0.067 | 0.029 | 112.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | LEU | 0 | 0.019 | -0.014 | 108.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | LYS | 1 | 0.932 | 0.979 | 109.859 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | GLN | 0 | 0.075 | 0.037 | 110.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | LEU | 0 | 0.008 | -0.001 | 105.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | SER | 0 | 0.004 | -0.015 | 105.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | GLU | -1 | -0.834 | -0.907 | 105.744 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | ILE | 0 | -0.016 | 0.001 | 102.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | PHE | 0 | -0.005 | -0.013 | 99.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | ILE | 0 | 0.008 | 0.000 | 101.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | ASN | 0 | -0.054 | -0.033 | 103.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | ALA | 0 | -0.008 | -0.017 | 99.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | ILE | 0 | -0.040 | -0.017 | 97.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | SER | 0 | 0.026 | 0.016 | 99.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | ARG | 1 | 0.897 | 0.935 | 97.399 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | ARG | 1 | 0.889 | 0.959 | 98.237 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | ILE | 0 | 0.059 | 0.012 | 96.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | VAL | 0 | 0.077 | 0.035 | 91.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | PRO | 0 | -0.015 | -0.006 | 91.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | LYS | 1 | 0.851 | 0.911 | 93.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | VAL | 0 | -0.006 | 0.016 | 93.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | GLU | -1 | -0.809 | -0.895 | 88.687 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | MET | 0 | 0.029 | 0.010 | 92.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | SER | 0 | -0.014 | -0.031 | 94.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | VAL | 0 | 0.002 | 0.020 | 94.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLU | -1 | -0.809 | -0.896 | 92.965 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | ALA | 0 | 0.007 | 0.005 | 95.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | LEU | 0 | -0.006 | -0.013 | 99.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | ALA | 0 | 0.001 | 0.010 | 97.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | TYR | 0 | 0.019 | 0.017 | 95.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | LEU | 0 | 0.050 | 0.005 | 101.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | SER | 0 | -0.045 | -0.012 | 101.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | LEU | 0 | 0.054 | -0.006 | 101.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | LYS | 1 | 0.956 | 0.971 | 105.453 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | ALA | 0 | 0.040 | 0.029 | 108.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | SER | 0 | -0.026 | -0.010 | 110.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | VAL | 0 | 0.006 | 0.009 | 106.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | LYS | 1 | 0.838 | 0.945 | 105.878 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | ILE | 0 | 0.001 | -0.009 | 108.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | MET | 0 | 0.005 | 0.010 | 110.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | ILE | 0 | 0.009 | -0.019 | 104.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | ARG | 1 | 0.880 | 0.958 | 108.052 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | SER | 0 | -0.030 | 0.000 | 109.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | ASN | 0 | 0.021 | 0.009 | 108.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | GLU | -1 | -0.704 | -0.835 | 108.159 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | SER | 0 | 0.000 | 0.002 | 106.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | PHE | 0 | 0.008 | 0.010 | 102.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | THR | 0 | 0.034 | 0.016 | 102.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | GLU | -1 | -0.885 | -0.940 | 102.433 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | ILE | 0 | -0.060 | -0.016 | 99.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | LEU | 0 | 0.017 | 0.006 | 98.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | LEU | 0 | -0.002 | -0.001 | 97.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | THR | 0 | -0.082 | -0.045 | 96.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | MET | 0 | -0.060 | -0.055 | 94.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | ILE | 0 | -0.085 | -0.017 | 93.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | LYS | 1 | 0.866 | 0.927 | 91.879 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | SER | 0 | 0.013 | 0.000 | 90.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | GLN | 0 | -0.019 | -0.009 | 89.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | LYS | 1 | 0.996 | 1.039 | 82.665 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | MET | 0 | -0.013 | -0.018 | 86.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | THR | 0 | 0.013 | -0.012 | 82.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | HIS | 0 | -0.014 | -0.003 | 86.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | CYS | 0 | -0.005 | 0.010 | 87.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | LEU | 0 | 0.020 | 0.013 | 88.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | TYR | 0 | 0.093 | 0.032 | 89.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | GLY | 0 | 0.066 | 0.024 | 91.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | LEU | 0 | 0.010 | 0.005 | 93.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | LEU | 0 | -0.015 | -0.023 | 91.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | VAL | 0 | -0.026 | -0.003 | 94.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | ILE | 0 | -0.018 | -0.004 | 97.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | MET | 0 | -0.051 | -0.025 | 98.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | ALA | 0 | 0.020 | 0.024 | 98.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | ASN | 0 | -0.014 | 0.008 | 100.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | LEU | 0 | -0.040 | -0.012 | 103.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | SER | 0 | 0.026 | 0.032 | 102.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | THR | 0 | -0.026 | -0.031 | 104.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | LEU | 0 | -0.055 | -0.026 | 106.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | PRO | 0 | -0.009 | -0.022 | 109.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | GLU | -1 | -0.959 | -0.973 | 108.677 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | GLU | -1 | -0.954 | -0.969 | 111.827 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 410 | ALA | 0 | 0.023 | 0.000 | 127.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 411 | ALA | 0 | -0.018 | -0.022 | 126.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 412 | ALA | 0 | 0.041 | 0.015 | 127.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 413 | ALA | 0 | -0.027 | 0.009 | 129.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 414 | ALA | 0 | -0.008 | -0.011 | 132.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 415 | ALA | 0 | -0.012 | 0.007 | 132.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 430 | VAL | 0 | 0.005 | -0.014 | 126.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 431 | GLY | 0 | 0.055 | 0.030 | 124.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 432 | ALA | 0 | -0.001 | -0.001 | 122.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 433 | GLU | -1 | -0.839 | -0.926 | 119.092 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 434 | LYS | 1 | 0.805 | 0.885 | 118.738 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 435 | ALA | 0 | -0.007 | 0.005 | 119.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 436 | ALA | 0 | 0.047 | 0.014 | 114.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 437 | LYS | 1 | 0.926 | 0.985 | 113.621 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 438 | GLU | -1 | -0.859 | -0.922 | 114.353 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 439 | ASP | -1 | -0.822 | -0.916 | 114.048 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 440 | ILE | 0 | -0.103 | -0.051 | 109.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 441 | LEU | 0 | -0.034 | -0.025 | 109.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 442 | LEU | 0 | 0.021 | 0.023 | 111.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 443 | PHE | 0 | -0.007 | -0.017 | 104.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 444 | ASN | 0 | 0.048 | 0.009 | 105.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 445 | GLU | -1 | -0.828 | -0.869 | 105.833 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 446 | LYS | 1 | 0.844 | 0.907 | 106.938 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 447 | TYR | 0 | -0.034 | -0.054 | 103.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 448 | ILE | 0 | -0.022 | -0.007 | 100.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 449 | LEU | 0 | 0.003 | -0.006 | 101.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 450 | ARG | 1 | 0.956 | 0.969 | 102.820 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 451 | THR | 0 | -0.093 | -0.032 | 99.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 452 | GLU | -1 | -0.807 | -0.905 | 98.334 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 453 | LEU | 0 | -0.021 | 0.003 | 96.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 454 | ILE | 0 | 0.010 | 0.015 | 95.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 455 | SER | 0 | 0.009 | -0.001 | 95.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 456 | PHE | 0 | -0.081 | -0.060 | 90.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 457 | LEU | 0 | 0.026 | 0.005 | 91.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 458 | LYS | 1 | 0.861 | 0.950 | 88.619 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 459 | ARG | 1 | 0.838 | 0.923 | 88.165 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 460 | GLU | -1 | -0.882 | -0.946 | 86.224 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 461 | MET | 0 | 0.001 | 0.017 | 86.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 462 | HIS | 0 | 0.019 | -0.011 | 80.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 463 | ASN | 0 | -0.019 | 0.000 | 81.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 464 | LEU | 0 | -0.021 | 0.016 | 83.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 465 | SER | 0 | 0.091 | 0.049 | 84.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 466 | PRO | 0 | 0.085 | 0.041 | 83.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 467 | ASN | 0 | 0.029 | 0.006 | 86.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 468 | CYS | 0 | -0.039 | -0.022 | 88.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 469 | LYS | 1 | 0.868 | 0.923 | 84.077 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 470 | GLN | 0 | 0.053 | 0.038 | 89.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 471 | GLN | 0 | 0.048 | 0.015 | 92.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 472 | VAL | 0 | 0.013 | 0.002 | 92.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 473 | VAL | 0 | -0.030 | -0.004 | 93.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 474 | ARG | 1 | 0.876 | 0.936 | 95.992 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 475 | ILE | 0 | -0.024 | 0.001 | 96.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 476 | ILE | 0 | 0.032 | 0.009 | 96.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 477 | TYR | 0 | 0.034 | 0.027 | 99.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 478 | ASN | 0 | -0.031 | -0.030 | 101.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 479 | ILE | 0 | -0.059 | -0.021 | 102.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 480 | THR | 0 | -0.045 | -0.029 | 102.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 481 | ARG | 1 | 0.894 | 0.953 | 105.201 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 482 | SER | 0 | -0.021 | 0.002 | 108.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 483 | LYS | 1 | 0.980 | 0.973 | 109.381 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 484 | ASN | 0 | 0.006 | 0.003 | 109.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 485 | PHE | 0 | 0.020 | 0.008 | 106.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 486 | ILE | 0 | -0.026 | 0.014 | 104.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 487 | PRO | 0 | 0.030 | 0.003 | 104.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 488 | GLN | 0 | 0.041 | 0.020 | 104.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 489 | LEU | 0 | -0.008 | -0.006 | 100.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 490 | ALA | 0 | 0.030 | 0.011 | 100.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 491 | GLN | 0 | -0.025 | -0.011 | 98.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 492 | GLN | 0 | -0.085 | -0.060 | 97.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 493 | GLY | 0 | -0.010 | -0.019 | 94.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 494 | ALA | 0 | 0.061 | 0.043 | 94.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 495 | VAL | 0 | 0.019 | -0.005 | 95.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 496 | LYS | 1 | 0.925 | 0.967 | 91.615 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 497 | ILE | 0 | 0.015 | 0.003 | 91.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 498 | ILE | 0 | 0.002 | 0.003 | 91.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 499 | LEU | 0 | 0.022 | 0.023 | 90.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 500 | GLU | -1 | -0.912 | -0.950 | 86.325 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 501 | TYR | 0 | -0.076 | -0.043 | 87.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 502 | LEU | 0 | -0.025 | -0.020 | 88.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 503 | ALA | 0 | 0.014 | 0.024 | 86.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 504 | ASN | 0 | -0.099 | -0.060 | 84.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 505 | LYS | 1 | 0.897 | 0.919 | 82.643 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 506 | GLN | 0 | 0.021 | -0.049 | 87.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 507 | ASP | -1 | -0.875 | -0.817 | 83.159 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 508 | ILE | 0 | -0.114 | -0.117 | 86.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 509 | GLY | 0 | 0.111 | 0.061 | 89.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 510 | GLU | -1 | -0.857 | -0.913 | 89.830 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 511 | PRO | 0 | 0.001 | 0.006 | 92.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 512 | ILE | 0 | -0.047 | -0.021 | 92.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 513 | ARG | 1 | 0.777 | 0.875 | 91.136 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 514 | ILE | 0 | 0.073 | 0.037 | 94.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 515 | LEU | 0 | -0.007 | 0.007 | 98.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 516 | GLY | 0 | 0.029 | -0.015 | 96.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 517 | CYS | 0 | -0.013 | 0.013 | 96.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 518 | ARG | 1 | 0.768 | 0.847 | 98.390 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 519 | ALA | 0 | -0.079 | -0.032 | 99.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 520 | LEU | 0 | 0.006 | -0.012 | 95.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 521 | THR | 0 | 0.050 | 0.031 | 99.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 522 | ARG | 1 | 0.759 | 0.866 | 102.648 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 523 | MET | 0 | -0.056 | -0.037 | 98.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 524 | LEU | 0 | 0.013 | 0.020 | 98.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 525 | ILE | 0 | -0.012 | 0.025 | 103.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 526 | PHE | 0 | -0.043 | -0.033 | 106.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 527 | THR | 0 | -0.034 | -0.035 | 103.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 528 | ASN | 0 | 0.065 | 0.033 | 104.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 529 | PRO | 0 | 0.068 | 0.027 | 101.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 530 | GLY | 0 | 0.063 | 0.040 | 100.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 531 | LEU | 0 | -0.105 | -0.073 | 99.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 532 | ILE | 0 | 0.017 | 0.023 | 97.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 533 | PHE | 0 | -0.031 | 0.012 | 95.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 534 | LYS | 1 | 0.952 | 0.975 | 96.480 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 535 | LYS | 1 | 0.864 | 0.905 | 89.026 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 536 | TYR | 0 | -0.033 | -0.033 | 87.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 537 | SER | 0 | 0.083 | 0.063 | 91.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 538 | ALA | 0 | 0.115 | 0.056 | 93.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 539 | LEU | 0 | -0.018 | 0.004 | 92.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 540 | ASN | 0 | 0.013 | -0.006 | 88.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 541 | ALA | 0 | -0.002 | -0.007 | 92.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 542 | ILE | 0 | -0.003 | 0.001 | 95.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 543 | PRO | 0 | -0.011 | 0.000 | 91.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 544 | PHE | 0 | 0.037 | 0.002 | 90.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 545 | LEU | 0 | -0.017 | 0.001 | 95.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 546 | PHE | 0 | 0.042 | 0.004 | 97.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 547 | GLU | -1 | -0.814 | -0.872 | 93.731 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 548 | LEU | 0 | -0.104 | -0.048 | 98.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 549 | LEU | 0 | -0.028 | -0.001 | 101.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 550 | PRO | 0 | -0.007 | -0.001 | 101.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 551 | ARG | 1 | 0.841 | 0.887 | 94.474 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 552 | SER | 0 | 0.002 | 0.004 | 98.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 553 | THR | 0 | -0.021 | -0.002 | 93.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 554 | PRO | 0 | -0.027 | -0.026 | 91.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 555 | VAL | 0 | 0.001 | 0.006 | 93.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 556 | ASP | -1 | -0.813 | -0.883 | 91.778 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 557 | ASP | -1 | -0.846 | -0.911 | 88.195 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 558 | ASN | 0 | -0.075 | -0.043 | 90.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 559 | PRO | 0 | 0.063 | 0.005 | 91.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 560 | LEU | 0 | -0.023 | -0.009 | 90.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 561 | HIS | 0 | -0.023 | 0.003 | 85.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 562 | ASN | 0 | -0.033 | 0.021 | 90.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 563 | ASP | -1 | -0.976 | -1.014 | 94.871 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 564 | GLU | -1 | -0.844 | -0.928 | 97.828 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 565 | GLN | 0 | -0.004 | 0.003 | 100.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 566 | ILE | 0 | 0.024 | 0.013 | 99.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 567 | LYS | 1 | 0.953 | 0.999 | 103.940 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 568 | LEU | 0 | 0.085 | 0.032 | 107.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 569 | THR | 0 | -0.001 | -0.018 | 109.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 570 | ASP | -1 | -0.807 | -0.887 | 104.776 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 571 | ASN | 0 | 0.035 | 0.010 | 106.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 572 | TYR | 0 | 0.030 | 0.014 | 107.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 573 | GLU | -1 | -0.795 | -0.876 | 106.825 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 574 | ALA | 0 | 0.038 | -0.007 | 103.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 575 | LEU | 0 | 0.019 | 0.019 | 104.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 576 | LEU | 0 | 0.001 | 0.012 | 107.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 577 | ALA | 0 | -0.038 | -0.026 | 103.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 578 | LEU | 0 | -0.032 | -0.017 | 101.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 579 | THR | 0 | 0.020 | 0.004 | 104.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 580 | ASN | 0 | -0.031 | 0.001 | 106.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 581 | LEU | 0 | -0.067 | -0.036 | 99.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 582 | ALA | 0 | -0.021 | -0.013 | 102.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 583 | SER | 0 | -0.043 | -0.031 | 105.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 584 | SER | 0 | -0.047 | -0.032 | 103.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 585 | GLU | -1 | -0.898 | -0.944 | 105.052 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 586 | THR | 0 | -0.052 | -0.024 | 100.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 587 | SER | 0 | 0.059 | 0.018 | 98.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 588 | ASP | -1 | -0.926 | -0.982 | 96.726 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 589 | GLY | 0 | 0.050 | 0.044 | 98.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 590 | GLU | -1 | -0.846 | -0.900 | 99.229 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 591 | GLU | -1 | -0.859 | -0.925 | 94.715 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 592 | VAL | 0 | -0.018 | -0.010 | 97.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 593 | CYS | 0 | -0.017 | -0.015 | 99.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 594 | LYS | 1 | 0.804 | 0.882 | 95.605 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 595 | HIS | 0 | 0.034 | 0.026 | 93.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 596 | ILE | 0 | -0.016 | -0.011 | 97.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 597 | VAL | 0 | -0.010 | -0.011 | 100.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 598 | SER | 0 | -0.066 | -0.034 | 96.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 599 | THR | 0 | -0.042 | -0.017 | 94.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 600 | LYS | 1 | 0.966 | 0.971 | 95.030 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 601 | VAL | 0 | 0.032 | 0.021 | 95.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 602 | TYR | 0 | 0.036 | 0.019 | 94.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 603 | TRP | 0 | 0.046 | 0.001 | 99.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 604 | SER | 0 | -0.016 | -0.010 | 101.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 605 | THR | 0 | -0.047 | -0.026 | 101.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 606 | ILE | 0 | 0.016 | 0.003 | 103.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 607 | GLU | -1 | -0.825 | -0.884 | 106.015 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 608 | ASN | 0 | 0.003 | 0.001 | 107.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 609 | LEU | 0 | 0.007 | -0.004 | 106.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 610 | MET | 0 | -0.019 | 0.007 | 110.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 611 | LEU | 0 | -0.081 | -0.046 | 112.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 612 | ASP | -1 | -0.879 | -0.936 | 111.926 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 613 | GLU | -1 | -0.973 | -0.980 | 114.234 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 614 | ASN | 0 | 0.006 | 0.000 | 114.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 615 | VAL | 0 | 0.053 | 0.008 | 116.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 616 | PRO | 0 | -0.036 | -0.015 | 115.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 617 | LEU | 0 | 0.019 | 0.012 | 110.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 618 | GLN | 0 | 0.028 | 0.021 | 112.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 619 | ARG | 1 | 0.791 | 0.867 | 114.912 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 620 | SER | 0 | 0.029 | 0.020 | 111.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 621 | THR | 0 | -0.038 | -0.027 | 109.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 622 | LEU | 0 | -0.026 | -0.008 | 111.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 623 | GLU | -1 | -0.859 | -0.945 | 113.273 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 624 | LEU | 0 | -0.034 | -0.003 | 105.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 625 | ILE | 0 | -0.012 | -0.024 | 109.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 626 | SER | 0 | -0.044 | -0.026 | 110.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 627 | ASN | 0 | -0.021 | -0.028 | 108.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 628 | MET | 0 | 0.004 | -0.003 | 105.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 629 | MET | 0 | -0.045 | -0.008 | 107.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 630 | SER | 0 | -0.024 | -0.015 | 109.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 631 | HIS | 0 | 0.001 | 0.022 | 104.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 632 | PRO | 0 | 0.035 | 0.012 | 105.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 633 | LEU | 0 | -0.033 | -0.024 | 103.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 634 | THR | 0 | -0.039 | 0.000 | 101.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 635 | ILE | 0 | 0.025 | 0.002 | 103.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 636 | ALA | 0 | 0.077 | 0.049 | 106.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 637 | ALA | 0 | -0.028 | -0.008 | 105.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 638 | LYS | 1 | 0.808 | 0.919 | 102.240 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 639 | PHE | 0 | 0.005 | -0.012 | 108.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 640 | PHE | 0 | 0.036 | -0.010 | 111.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 641 | ASN | 0 | -0.036 | 0.000 | 108.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 642 | LEU | 0 | -0.002 | -0.023 | 111.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 643 | GLU | -1 | -0.855 | -0.891 | 110.485 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 644 | ASN | 0 | -0.058 | -0.031 | 105.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 645 | PRO | 0 | 0.031 | 0.004 | 108.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 646 | GLN | 0 | 0.030 | 0.014 | 104.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 647 | SER | 0 | -0.014 | -0.025 | 108.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 648 | LEU | 0 | 0.024 | 0.025 | 110.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 649 | ARG | 1 | 0.851 | 0.913 | 108.869 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 650 | ASN | 0 | -0.015 | -0.019 | 108.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 651 | PHE | 0 | -0.014 | 0.005 | 113.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 652 | ASN | 0 | -0.028 | -0.034 | 115.588 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 653 | ILE | 0 | -0.010 | 0.005 | 113.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 654 | LEU | 0 | 0.035 | 0.016 | 114.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 655 | VAL | 0 | -0.037 | -0.014 | 117.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 656 | LYS | 1 | 0.825 | 0.899 | 120.713 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 657 | LEU | 0 | -0.014 | -0.001 | 116.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 658 | LEU | 0 | -0.007 | 0.006 | 121.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 659 | GLN | 0 | -0.037 | -0.020 | 123.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 660 | LEU | 0 | 0.014 | 0.024 | 119.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 661 | SER | 0 | -0.005 | -0.016 | 124.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 662 | ASP | -1 | -0.766 | -0.852 | 120.842 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 663 | VAL | 0 | 0.070 | 0.028 | 123.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 664 | GLU | -1 | -0.905 | -0.945 | 119.027 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 665 | SER | 0 | 0.012 | -0.011 | 119.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 666 | GLN | 0 | -0.028 | -0.003 | 119.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 667 | ARG | 1 | 0.801 | 0.886 | 121.134 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 668 | ALA | 0 | 0.053 | 0.040 | 116.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 669 | VAL | 0 | 0.015 | -0.002 | 117.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 670 | ALA | 0 | 0.006 | -0.005 | 118.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 671 | ALA | 0 | -0.025 | -0.016 | 117.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 672 | ILE | 0 | -0.015 | 0.009 | 113.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 673 | PHE | 0 | -0.006 | -0.029 | 116.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 674 | ALA | 0 | -0.001 | 0.004 | 118.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 675 | ASN | 0 | 0.054 | 0.021 | 113.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 676 | ILE | 0 | -0.046 | 0.009 | 112.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 677 | ALA | 0 | 0.003 | 0.015 | 115.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 678 | THR | 0 | -0.018 | -0.017 | 117.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 679 | THR | 0 | -0.083 | -0.073 | 111.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 680 | ILE | 0 | -0.044 | -0.019 | 110.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 681 | PRO | 0 | 0.087 | 0.042 | 114.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 682 | LEU | 0 | -0.009 | -0.003 | 112.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 683 | ILE | 0 | 0.036 | 0.013 | 112.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 684 | ALA | 0 | 0.071 | 0.038 | 116.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 685 | LYS | 1 | 0.808 | 0.901 | 119.948 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 686 | GLU | -1 | -0.834 | -0.918 | 115.838 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 687 | LEU | 0 | -0.100 | -0.056 | 118.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 688 | LEU | 0 | -0.026 | 0.010 | 121.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 689 | THR | 0 | -0.026 | -0.013 | 123.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 690 | LYS | 1 | 0.769 | 0.878 | 118.140 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 691 | LYS | 1 | 0.984 | 0.988 | 124.535 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 692 | GLU | -1 | -0.769 | -0.852 | 124.650 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 693 | LEU | 0 | -0.003 | 0.004 | 121.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 694 | ILE | 0 | 0.013 | 0.008 | 124.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 695 | GLU | -1 | -0.935 | -0.985 | 127.685 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 696 | ASN | 0 | -0.027 | -0.011 | 125.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 697 | ALA | 0 | 0.038 | 0.011 | 125.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 698 | ILE | 0 | -0.067 | -0.033 | 127.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 699 | GLN | 0 | -0.037 | -0.028 | 130.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 700 | VAL | 0 | 0.041 | 0.044 | 127.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 701 | PHE | 0 | -0.049 | -0.018 | 129.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 702 | ALA | 0 | -0.040 | -0.037 | 131.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 703 | ASP | -1 | -0.856 | -0.935 | 133.753 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 704 | GLN | 0 | 0.002 | -0.003 | 128.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 705 | ILE | 0 | -0.020 | 0.013 | 131.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 706 | ASP | -1 | -0.904 | -0.945 | 133.176 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 707 | ASP | -1 | -0.806 | -0.889 | 127.192 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 708 | ILE | 0 | 0.038 | 0.016 | 127.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 709 | GLU | -1 | -0.897 | -0.944 | 121.421 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 710 | LEU | 0 | 0.001 | -0.008 | 124.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 711 | ARG | 1 | 0.853 | 0.916 | 126.028 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 712 | GLN | 0 | -0.021 | -0.022 | 124.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 713 | ARG | 1 | 0.931 | 0.964 | 117.249 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 714 | LEU | 0 | 0.029 | 0.011 | 123.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 715 | LEU | 0 | -0.019 | -0.002 | 125.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 716 | MET | 0 | -0.003 | 0.011 | 119.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 717 | LEU | 0 | 0.017 | 0.031 | 121.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 718 | PHE | 0 | 0.022 | 0.001 | 123.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 719 | PHE | 0 | -0.027 | -0.021 | 122.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 720 | GLY | 0 | 0.052 | 0.017 | 122.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 721 | LEU | 0 | -0.065 | -0.042 | 122.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 722 | PHE | 0 | -0.008 | -0.032 | 124.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 723 | GLU | -1 | -0.925 | -0.939 | 122.776 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 724 | VAL | 0 | -0.074 | -0.024 | 120.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 725 | ILE | 0 | -0.036 | -0.019 | 124.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 726 | PRO | 0 | -0.048 | -0.007 | 126.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 727 | ASP | -1 | -0.827 | -0.919 | 129.073 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 728 | ASN | 0 | 0.000 | -0.011 | 130.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 729 | GLY | 0 | -0.011 | -0.010 | 130.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 730 | THR | 0 | -0.039 | -0.034 | 131.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 731 | ASN | 0 | -0.042 | 0.003 | 129.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 732 | GLU | -1 | -0.799 | -0.861 | 126.452 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 733 | VAL | 0 | 0.012 | 0.014 | 130.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 734 | TYR | 0 | -0.006 | -0.051 | 125.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 735 | PRO | 0 | 0.036 | 0.000 | 130.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 736 | LEU | 0 | -0.039 | -0.015 | 129.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 737 | LEU | 0 | 0.026 | 0.027 | 127.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 738 | GLN | 0 | -0.019 | 0.005 | 132.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 739 | GLU | -1 | -0.842 | -0.935 | 134.380 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 740 | ASN | 0 | 0.028 | 0.009 | 134.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 741 | GLN | 0 | 0.042 | 0.009 | 137.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 742 | LYS | 1 | 0.897 | 0.974 | 135.612 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 743 | LEU | 0 | 0.052 | 0.036 | 131.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 744 | LYS | 1 | 0.924 | 0.957 | 135.518 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 745 | ASP | -1 | -0.957 | -1.012 | 138.063 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 746 | ALA | 0 | 0.061 | 0.039 | 135.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 747 | LEU | 0 | 0.014 | 0.008 | 132.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 748 | ASN | 0 | -0.010 | -0.009 | 136.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 749 | MET | 0 | -0.009 | 0.006 | 138.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 750 | SER | 0 | 0.056 | 0.022 | 134.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 751 | LEU | 0 | -0.045 | -0.020 | 136.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 752 | LYS | 1 | 0.726 | 0.880 | 137.906 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 753 | ARG | 1 | 0.923 | 0.941 | 138.228 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 754 | GLY | 0 | 0.072 | 0.059 | 137.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 755 | ASP | -1 | -0.917 | -0.962 | 131.968 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 756 | SER | 0 | -0.019 | -0.010 | 132.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 757 | GLY | 0 | 0.041 | 0.030 | 129.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 758 | PRO | 0 | -0.068 | -0.031 | 126.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 759 | GLU | -1 | -0.885 | -0.944 | 124.293 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 760 | PHE | 0 | 0.007 | -0.004 | 122.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 761 | SER | 0 | 0.007 | 0.008 | 128.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 762 | ALA | 0 | -0.012 | -0.024 | 130.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 763 | ALA | 0 | 0.032 | 0.014 | 128.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 764 | ILE | 0 | 0.050 | 0.027 | 130.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 765 | PRO | 0 | -0.009 | -0.006 | 133.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 766 | VAL | 0 | 0.003 | 0.005 | 130.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 767 | ILE | 0 | 0.008 | 0.006 | 129.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 768 | LEU | 0 | -0.014 | -0.008 | 132.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 769 | ALA | 0 | -0.107 | -0.038 | 135.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 770 | LYS | 1 | 0.833 | 0.912 | 129.433 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 771 | ILE | 0 | 0.028 | 0.018 | 134.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 772 | LYS | 1 | 0.798 | 0.908 | 137.661 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |