FMODB ID: MNGMZ
Calculation Name: 3MKQ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3MKQ
Chain ID: A
UniProt ID: P53622
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 811 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -19007006.963177 |
---|---|
FMO2-HF: Nuclear repulsion | 18690889.402252 |
FMO2-HF: Total energy | -316117.560926 |
FMO2-MP2: Total energy | -317055.319524 |
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:LYS)
Summations of interaction energy for
fragment #1(A:2: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. |
-427.517 | -440.207 | 39.405 | -15.446 | -11.269 | -0.124 |
Interaction energy analysis for fragmet #1(A:2: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 | 4 | ASP | -1 | -0.853 | -0.913 | 3.797 | -32.156 | -30.314 | -0.029 | -0.779 | -1.034 | 0.002 |
4 | A | 5 | ILE | 0 | -0.066 | -0.036 | 6.162 | 3.059 | 3.059 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | LYS | 1 | 0.889 | 0.950 | 8.853 | 25.461 | 25.461 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | LYS | 1 | 0.944 | 0.962 | 12.273 | 14.790 | 14.790 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | THR | 0 | -0.007 | 0.014 | 15.634 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | PHE | 0 | 0.020 | 0.014 | 17.779 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | SER | 0 | -0.060 | -0.023 | 20.665 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | ASN | 0 | 0.045 | 0.034 | 22.576 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | ARG | 1 | 0.920 | 0.964 | 26.186 | 9.825 | 9.825 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | SER | 0 | 0.013 | -0.010 | 28.465 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | ASP | -1 | -0.911 | -0.944 | 30.738 | -8.015 | -8.015 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | ARG | 1 | 0.828 | 0.916 | 29.909 | 8.242 | 8.242 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | VAL | 0 | 0.005 | 0.031 | 26.680 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | LYS | 1 | 0.800 | 0.899 | 28.089 | 8.656 | 8.656 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | GLY | 0 | 0.054 | 0.027 | 27.829 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | ILE | 0 | -0.005 | -0.013 | 22.935 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | ASP | -1 | -0.844 | -0.924 | 24.461 | -10.571 | -10.571 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | PHE | 0 | -0.005 | 0.012 | 18.769 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | HIS | 0 | -0.022 | 0.004 | 23.948 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | PRO | 0 | -0.035 | -0.047 | 24.583 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | THR | 0 | -0.022 | -0.024 | 24.691 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | GLU | -1 | -0.878 | -0.914 | 26.571 | -10.020 | -10.020 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | PRO | 0 | -0.029 | 0.004 | 23.171 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | TRP | 0 | -0.035 | -0.037 | 24.415 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | VAL | 0 | -0.011 | -0.001 | 23.194 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | LEU | 0 | -0.047 | -0.021 | 25.494 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | THR | 0 | 0.024 | 0.006 | 26.521 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | THR | 0 | -0.034 | -0.020 | 29.056 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | LEU | 0 | 0.046 | 0.023 | 30.785 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | TYR | 0 | -0.025 | -0.042 | 33.261 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | SER | 0 | 0.046 | 0.009 | 35.354 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | GLY | 0 | 0.052 | 0.049 | 37.096 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | ARG | 1 | 0.867 | 0.936 | 36.239 | 7.648 | 7.648 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | VAL | 0 | -0.049 | -0.024 | 33.839 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | GLU | -1 | -0.869 | -0.922 | 31.193 | -8.633 | -8.633 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | ILE | 0 | 0.002 | 0.001 | 30.062 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | TRP | 0 | 0.020 | -0.008 | 27.056 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ASN | 0 | 0.062 | 0.040 | 25.912 | -0.740 | -0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | TYR | 0 | 0.001 | -0.031 | 20.243 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | GLU | -1 | -0.802 | -0.885 | 20.260 | -13.923 | -13.923 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | THR | 0 | -0.064 | -0.037 | 22.930 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | GLN | 0 | -0.027 | -0.011 | 22.473 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | VAL | 0 | -0.006 | 0.017 | 26.763 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | GLU | -1 | -0.891 | -0.949 | 29.916 | -8.714 | -8.714 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | VAL | 0 | -0.036 | -0.018 | 30.826 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | ARG | 1 | 0.871 | 0.920 | 33.438 | 7.964 | 7.964 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | SER | 0 | 0.045 | 0.030 | 34.528 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | ILE | 0 | -0.042 | -0.028 | 36.699 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | GLN | 0 | 0.020 | 0.016 | 38.472 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | VAL | 0 | -0.041 | -0.024 | 38.167 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | THR | 0 | -0.070 | -0.051 | 40.476 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | GLU | -1 | -0.889 | -0.940 | 41.795 | -6.737 | -6.737 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | THR | 0 | -0.085 | -0.022 | 41.568 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | PRO | 0 | 0.018 | 0.013 | 36.273 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | VAL | 0 | 0.012 | 0.006 | 34.399 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | ARG | 1 | 0.774 | 0.854 | 32.548 | 7.493 | 7.493 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | ALA | 0 | 0.018 | 0.023 | 31.045 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | GLY | 0 | 0.046 | -0.002 | 30.417 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | LYS | 1 | 0.852 | 0.948 | 26.310 | 9.526 | 9.526 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | PHE | 0 | 0.058 | 0.031 | 27.386 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | ILE | 0 | -0.030 | -0.018 | 30.634 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | ALA | 0 | 0.058 | 0.023 | 30.008 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | ARG | 1 | 0.893 | 0.950 | 32.085 | 8.765 | 8.765 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | LYS | 1 | 0.900 | 0.959 | 34.546 | 7.571 | 7.571 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | ASN | 0 | -0.002 | -0.007 | 35.267 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | TRP | 0 | 0.013 | -0.010 | 35.455 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | ILE | 0 | 0.028 | 0.027 | 32.654 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | ILE | 0 | -0.034 | -0.018 | 33.609 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | VAL | 0 | 0.009 | -0.005 | 33.842 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | GLY | 0 | 0.029 | 0.014 | 35.407 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | SER | 0 | -0.049 | -0.043 | 36.200 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | ASP | -1 | -0.737 | -0.860 | 38.359 | -7.341 | -7.341 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | ASP | -1 | -0.819 | -0.868 | 40.579 | -6.639 | -6.639 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | PHE | 0 | -0.002 | 0.002 | 42.240 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | ARG | 1 | 0.860 | 0.932 | 42.638 | 6.240 | 6.240 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | ILE | 0 | 0.015 | 0.017 | 38.682 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | ARG | 1 | 0.795 | 0.893 | 39.459 | 6.906 | 6.906 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | VAL | 0 | 0.013 | 0.010 | 38.271 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | PHE | 0 | 0.005 | 0.004 | 38.344 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | ASN | 0 | 0.054 | 0.032 | 38.085 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | TYR | 0 | 0.039 | 0.049 | 33.279 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | ASN | 0 | 0.023 | 0.009 | 36.599 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | THR | 0 | -0.018 | -0.023 | 38.488 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | GLY | 0 | -0.042 | -0.017 | 40.265 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLU | -1 | -0.947 | -0.969 | 41.211 | -6.493 | -6.493 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | LYS | 1 | 0.863 | 0.941 | 42.549 | 6.234 | 6.234 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | VAL | 0 | 0.006 | -0.007 | 41.611 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | VAL | 0 | -0.018 | -0.011 | 42.478 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | ASP | -1 | -0.800 | -0.903 | 43.542 | -6.585 | -6.585 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | PHE | 0 | -0.027 | -0.020 | 41.997 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | GLU | -1 | -0.915 | -0.943 | 44.549 | -6.137 | -6.137 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | ALA | 0 | -0.019 | -0.006 | 41.803 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | HIS | 1 | 0.755 | 0.849 | 39.626 | 6.969 | 6.969 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | PRO | 0 | 0.027 | 0.029 | 44.112 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | ASP | -1 | -0.795 | -0.899 | 42.383 | -6.567 | -6.567 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | TYR | 0 | -0.042 | -0.030 | 38.466 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | ILE | 0 | -0.031 | 0.004 | 35.731 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | ARG | 1 | 0.754 | 0.841 | 32.921 | 7.672 | 7.672 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | SER | 0 | 0.007 | 0.017 | 30.229 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ILE | 0 | -0.001 | -0.005 | 30.975 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | ALA | 0 | -0.014 | 0.005 | 30.186 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | VAL | 0 | 0.007 | 0.004 | 30.420 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | HIS | 0 | 0.029 | 0.060 | 30.662 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | PRO | 0 | 0.051 | 0.013 | 28.757 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | THR | 0 | -0.014 | -0.033 | 30.827 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | LYS | 1 | 0.956 | 0.981 | 33.924 | 7.828 | 7.828 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | PRO | 0 | -0.015 | 0.006 | 36.103 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | TYR | 0 | -0.048 | -0.034 | 36.818 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | VAL | 0 | 0.018 | 0.001 | 35.036 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | LEU | 0 | 0.010 | 0.011 | 32.904 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | SER | 0 | -0.004 | 0.002 | 34.627 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | GLY | 0 | 0.018 | -0.004 | 34.879 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | SER | 0 | 0.019 | -0.010 | 35.851 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | ASP | -1 | -0.726 | -0.845 | 37.700 | -7.449 | -7.449 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | ASP | -1 | -0.801 | -0.903 | 39.694 | -6.634 | -6.634 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | LEU | 0 | -0.046 | -0.019 | 39.976 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | THR | 0 | 0.005 | 0.012 | 40.612 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | VAL | 0 | 0.007 | -0.004 | 35.547 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | LYS | 1 | 0.834 | 0.927 | 38.446 | 6.610 | 6.610 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | LEU | 0 | -0.005 | -0.003 | 37.956 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | TRP | 0 | -0.022 | -0.015 | 39.171 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | ASN | 0 | 0.019 | 0.010 | 40.051 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | TRP | 0 | 0.043 | 0.004 | 35.352 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | GLU | -1 | -0.986 | -0.990 | 42.185 | -6.991 | -6.991 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | ASN | 0 | -0.063 | -0.039 | 44.360 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | ASN | 0 | -0.063 | -0.046 | 46.615 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | TRP | 0 | 0.024 | 0.010 | 38.696 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | ALA | 0 | 0.036 | 0.045 | 44.636 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | LEU | 0 | -0.027 | -0.020 | 43.975 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | GLU | -1 | -0.865 | -0.929 | 43.771 | -6.392 | -6.392 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | GLN | 0 | -0.044 | -0.037 | 41.927 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | THR | 0 | 0.016 | 0.008 | 42.410 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | PHE | 0 | -0.028 | -0.007 | 38.876 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | GLU | -1 | -0.917 | -0.963 | 40.669 | -6.291 | -6.291 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | GLY | 0 | 0.026 | -0.005 | 41.393 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | HIS | 0 | -0.058 | -0.006 | 34.736 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | GLU | -1 | -0.929 | -0.961 | 39.520 | -6.480 | -6.480 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | HIS | 0 | 0.017 | 0.025 | 37.701 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | PHE | 0 | 0.027 | -0.009 | 36.304 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | VAL | 0 | -0.065 | 0.014 | 34.786 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | MET | 0 | 0.009 | -0.006 | 30.780 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | CYS | 0 | -0.024 | -0.003 | 27.283 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | VAL | 0 | -0.018 | 0.001 | 29.827 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | ALA | 0 | 0.054 | 0.024 | 25.978 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | PHE | 0 | 0.005 | -0.009 | 28.092 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | ASN | 0 | 0.048 | 0.038 | 26.236 | -0.660 | -0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | PRO | 0 | -0.014 | -0.007 | 22.574 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | LYS | 1 | 0.891 | 0.939 | 22.117 | 11.856 | 11.856 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | ASP | -1 | -0.868 | -0.914 | 26.523 | -8.526 | -8.526 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | PRO | 0 | 0.045 | 0.019 | 29.592 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | SER | 0 | -0.162 | -0.083 | 31.373 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | THR | 0 | -0.029 | -0.039 | 30.612 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | PHE | 0 | 0.012 | -0.001 | 30.326 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | ALA | 0 | -0.029 | -0.005 | 28.417 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | SER | 0 | -0.002 | -0.034 | 30.429 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | GLY | 0 | 0.020 | 0.014 | 29.665 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | CYS | 0 | -0.055 | 0.013 | 30.629 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | LEU | 0 | 0.073 | 0.031 | 32.550 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | ASP | -1 | -0.801 | -0.917 | 34.629 | -7.575 | -7.575 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ARG | 1 | 0.895 | 0.952 | 33.003 | 7.526 | 7.526 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | THR | 0 | -0.073 | -0.034 | 32.803 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | VAL | 0 | 0.036 | 0.012 | 28.266 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | LYS | 1 | 0.855 | 0.947 | 31.677 | 7.496 | 7.496 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | VAL | 0 | 0.043 | 0.030 | 30.365 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | TRP | 0 | 0.009 | -0.015 | 33.136 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | SER | 0 | 0.059 | 0.055 | 34.824 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | LEU | 0 | -0.009 | -0.010 | 36.040 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | GLY | 0 | -0.020 | -0.002 | 38.805 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | GLN | 0 | -0.027 | -0.010 | 40.643 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | SER | 0 | 0.036 | 0.021 | 41.649 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | THR | 0 | 0.012 | 0.006 | 42.360 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | PRO | 0 | -0.051 | -0.014 | 37.299 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | ASN | 0 | -0.004 | -0.022 | 35.090 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | PHE | 0 | -0.016 | -0.028 | 30.322 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | THR | 0 | -0.008 | -0.001 | 35.135 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | LEU | 0 | -0.020 | 0.001 | 28.112 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | THR | 0 | -0.004 | -0.016 | 32.759 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | THR | 0 | 0.055 | 0.024 | 28.484 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | GLY | 0 | 0.026 | 0.004 | 29.446 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | GLN | 0 | 0.002 | 0.021 | 25.091 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | GLU | -1 | -0.883 | -0.965 | 30.249 | -7.920 | -7.920 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | ARG | 1 | 0.887 | 0.940 | 31.523 | 8.422 | 8.422 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | GLY | 0 | -0.003 | 0.011 | 32.377 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | VAL | 0 | -0.047 | -0.009 | 27.462 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | ASN | 0 | -0.069 | -0.078 | 26.765 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | TYR | 0 | -0.002 | -0.025 | 22.330 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | VAL | 0 | 0.007 | -0.009 | 24.723 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | ASP | -1 | -0.884 | -0.947 | 20.029 | -12.244 | -12.244 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | TYR | 0 | -0.003 | -0.015 | 22.223 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | TYR | 0 | -0.024 | 0.000 | 15.086 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | PRO | 0 | -0.016 | -0.039 | 17.384 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | LEU | 0 | 0.028 | 0.033 | 15.600 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | PRO | 0 | 0.007 | -0.022 | 19.650 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | ASP | -1 | -0.790 | -0.881 | 17.573 | -14.816 | -14.816 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | LYS | 1 | 0.937 | 0.985 | 14.680 | 16.063 | 16.063 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | PRO | 0 | -0.049 | -0.002 | 21.100 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | TYR | 0 | 0.002 | -0.026 | 18.224 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | MET | 0 | -0.048 | -0.018 | 22.021 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | ILE | 0 | -0.006 | 0.011 | 17.613 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | THR | 0 | -0.011 | -0.003 | 21.574 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | ALA | 0 | 0.004 | 0.015 | 22.158 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | SER | 0 | 0.003 | -0.001 | 23.881 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ASP | -1 | -0.818 | -0.896 | 26.241 | -9.118 | -9.118 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | ASP | -1 | -0.906 | -0.963 | 27.298 | -9.382 | -9.382 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | LEU | 0 | -0.036 | -0.014 | 24.807 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | THR | 0 | -0.036 | -0.003 | 22.775 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | ILE | 0 | 0.009 | -0.007 | 18.073 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | LYS | 1 | 0.869 | 0.945 | 21.146 | 9.505 | 9.505 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | ILE | 0 | 0.032 | 0.033 | 17.620 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | TRP | 0 | -0.048 | -0.047 | 21.132 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | ASP | -1 | -0.724 | -0.841 | 23.321 | -10.840 | -10.840 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | TYR | 0 | 0.031 | -0.003 | 24.873 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | GLN | 0 | -0.010 | -0.001 | 27.600 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | THR | 0 | -0.067 | -0.043 | 27.330 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | LYS | 1 | 0.773 | 0.886 | 29.212 | 8.893 | 8.893 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | SER | 0 | 0.027 | 0.026 | 27.693 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | CYS | 0 | -0.058 | -0.024 | 24.295 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | VAL | 0 | -0.022 | 0.003 | 19.636 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | ALA | 0 | 0.018 | 0.002 | 18.797 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | THR | 0 | -0.013 | -0.017 | 20.667 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | LEU | 0 | -0.035 | -0.010 | 15.162 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLU | -1 | -0.913 | -0.963 | 18.828 | -10.465 | -10.465 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | GLY | 0 | 0.011 | -0.016 | 18.545 | -0.598 | -0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | HIS | 0 | -0.055 | 0.006 | 18.478 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | MET | 0 | 0.000 | 0.000 | 21.126 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | SER | 0 | -0.050 | -0.026 | 24.275 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | ASN | 0 | 0.008 | 0.006 | 25.032 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | VAL | 0 | -0.016 | 0.015 | 21.024 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | SER | 0 | -0.022 | -0.029 | 23.348 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | PHE | 0 | -0.034 | -0.006 | 18.167 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | ALA | 0 | 0.018 | -0.017 | 18.301 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | VAL | 0 | -0.031 | 0.013 | 16.258 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | PHE | 0 | 0.009 | 0.002 | 14.815 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | HIS | 0 | -0.005 | 0.020 | 11.619 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | PRO | 0 | -0.023 | -0.020 | 13.680 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | THR | 0 | 0.013 | -0.004 | 11.078 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | LEU | 0 | 0.017 | 0.010 | 6.992 | -1.069 | -1.069 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | PRO | 0 | 0.075 | 0.054 | 6.777 | 1.893 | 1.893 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | ILE | 0 | -0.073 | -0.040 | 6.941 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | ILE | 0 | 0.016 | 0.009 | 9.725 | 0.958 | 0.958 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | ILE | 0 | -0.036 | -0.004 | 11.333 | -0.620 | -0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | SER | 0 | 0.011 | -0.024 | 14.164 | 0.474 | 0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | GLY | 0 | 0.045 | 0.008 | 16.923 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | SER | 0 | -0.032 | -0.005 | 19.666 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | GLU | -1 | -0.864 | -0.944 | 22.547 | -9.113 | -9.113 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | ASP | -1 | -0.805 | -0.901 | 21.553 | -11.578 | -11.578 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | GLY | 0 | -0.001 | -0.014 | 22.741 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | THR | 0 | -0.114 | -0.043 | 16.873 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | LEU | 0 | -0.018 | -0.004 | 15.101 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | LYS | 1 | 0.879 | 0.925 | 13.477 | 13.522 | 13.522 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | ILE | 0 | 0.025 | 0.020 | 7.750 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | TRP | 0 | -0.009 | -0.018 | 10.164 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | ASN | 0 | 0.169 | 0.092 | 6.682 | 1.521 | 1.521 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | SER | 0 | -0.092 | -0.048 | 9.032 | 1.363 | 1.363 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | SER | 0 | 0.001 | -0.006 | 10.736 | 0.829 | 0.829 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | THR | 0 | -0.101 | -0.037 | 10.338 | 1.028 | 1.028 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | TYR | 0 | 0.006 | -0.014 | 12.268 | 0.808 | 0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | LYS | 1 | 0.943 | 0.974 | 11.344 | 18.305 | 18.305 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | VAL | 0 | -0.036 | -0.022 | 10.801 | -0.736 | -0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | GLU | -1 | -0.830 | -0.932 | 5.930 | -24.964 | -24.964 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | LYS | 1 | 0.908 | 0.954 | 6.964 | 21.058 | 21.058 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | THR | 0 | -0.011 | 0.009 | 9.848 | 0.962 | 0.962 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | LEU | 0 | -0.023 | -0.013 | 10.431 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | ASN | 0 | 0.116 | 0.056 | 14.260 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | VAL | 0 | -0.054 | -0.031 | 16.568 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | GLY | 0 | 0.014 | 0.010 | 18.757 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | LEU | 0 | -0.084 | -0.033 | 22.177 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | GLU | -1 | -0.900 | -0.955 | 24.378 | -9.143 | -9.143 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | ARG | 1 | 0.829 | 0.908 | 24.008 | 8.465 | 8.465 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | SER | 0 | -0.002 | 0.020 | 21.401 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | TRP | 0 | -0.067 | -0.073 | 23.684 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | CYS | 0 | -0.036 | 0.023 | 24.125 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | ILE | 0 | 0.016 | 0.013 | 17.172 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | ALA | 0 | 0.032 | 0.026 | 19.759 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | THR | 0 | 0.042 | 0.009 | 16.179 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | HIS | 0 | 0.051 | 0.025 | 17.472 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | PRO | 0 | 0.013 | 0.008 | 18.227 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | THR | 0 | 0.013 | 0.006 | 19.312 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | GLY | 0 | 0.083 | 0.042 | 15.571 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | ARG | 1 | 0.944 | 0.978 | 14.887 | 13.009 | 13.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | LYS | 1 | 0.962 | 0.996 | 13.401 | 16.498 | 16.498 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | ASN | 0 | -0.035 | -0.020 | 10.106 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | TYR | 0 | -0.075 | -0.063 | 12.832 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ILE | 0 | -0.001 | 0.003 | 13.105 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ALA | 0 | 0.019 | 0.004 | 16.377 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | SER | 0 | -0.044 | -0.015 | 19.169 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | GLY | 0 | 0.054 | -0.011 | 20.911 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | PHE | 0 | -0.009 | -0.021 | 19.335 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ASP | -1 | -0.725 | -0.856 | 25.474 | -8.804 | -8.804 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | ASN | 0 | -0.008 | -0.001 | 27.204 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | GLY | 0 | 0.079 | 0.058 | 26.712 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | PHE | 0 | -0.006 | 0.001 | 22.850 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | THR | 0 | 0.008 | -0.005 | 17.998 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | VAL | 0 | -0.010 | -0.002 | 17.827 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | LEU | 0 | -0.063 | -0.045 | 13.014 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | SER | 0 | 0.004 | -0.003 | 12.216 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | LEU | 0 | -0.021 | -0.014 | 8.458 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | GLY | 0 | 0.062 | 0.006 | 7.057 | -2.680 | -2.680 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | ASN | 0 | -0.053 | -0.037 | 7.068 | 1.886 | 1.886 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | ASP | -1 | -0.869 | -0.972 | 9.085 | -18.836 | -18.836 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | GLU | -1 | -0.908 | -0.914 | 12.058 | -22.588 | -22.588 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | PRO | 0 | -0.013 | 0.014 | 12.000 | -1.477 | -1.477 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | THR | 0 | 0.012 | 0.018 | 9.737 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | LEU | 0 | 0.002 | -0.028 | 12.689 | 1.000 | 1.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | SER | 0 | 0.009 | -0.004 | 15.140 | -0.809 | -0.809 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | LEU | 0 | -0.006 | 0.011 | 17.441 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | ASP | -1 | -0.856 | -0.914 | 21.169 | -12.856 | -12.856 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | PRO | 0 | 0.047 | 0.001 | 22.643 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | VAL | 0 | -0.033 | -0.015 | 25.655 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | GLY | 0 | 0.064 | 0.033 | 26.092 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | LYS | 1 | 0.776 | 0.890 | 24.498 | 11.789 | 11.789 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | LEU | 0 | 0.024 | 0.014 | 19.875 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | VAL | 0 | -0.018 | -0.015 | 16.808 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | TRP | 0 | 0.013 | -0.003 | 16.169 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | SER | 0 | -0.005 | 0.007 | 12.489 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | GLY | 0 | 0.014 | 0.011 | 13.901 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | GLY | 0 | 0.038 | 0.027 | 14.738 | 1.005 | 1.005 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | LYS | 1 | 0.951 | 0.960 | 17.311 | 12.959 | 12.959 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | ASN | 0 | -0.085 | -0.053 | 19.208 | 0.826 | 0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | ALA | 0 | 0.002 | 0.017 | 17.570 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | ALA | 0 | 0.029 | 0.027 | 13.633 | -0.646 | -0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | ALA | 0 | 0.001 | -0.015 | 9.709 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | SER | 0 | 0.014 | 0.004 | 11.299 | -0.920 | -0.920 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | ASP | -1 | -0.877 | -0.928 | 12.680 | -16.446 | -16.446 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | ILE | 0 | -0.018 | -0.017 | 13.869 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | PHE | 0 | 0.002 | 0.001 | 17.555 | 1.351 | 1.351 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | THR | 0 | -0.031 | -0.036 | 20.092 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | ALA | 0 | 0.024 | 0.013 | 22.776 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | VAL | 0 | -0.064 | -0.036 | 25.308 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | ILE | 0 | 0.079 | 0.065 | 26.127 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | ARG | 1 | 0.833 | 0.913 | 29.545 | 9.946 | 9.946 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | GLY | 0 | 0.035 | 0.004 | 33.091 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | ASN | 0 | -0.119 | -0.062 | 34.571 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | GLU | -1 | -0.800 | -0.904 | 32.604 | -9.694 | -9.694 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | GLU | -1 | -0.976 | -0.998 | 35.857 | -7.904 | -7.904 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | VAL | 0 | -0.136 | -0.061 | 33.044 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | GLU | -1 | -0.868 | -0.900 | 36.198 | -7.944 | -7.944 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | GLN | 0 | -0.034 | -0.028 | 34.425 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | ASP | -1 | -0.936 | -0.968 | 32.949 | -9.091 | -9.091 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | GLU | -1 | -0.931 | -0.966 | 32.183 | -9.332 | -9.332 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | PRO | 0 | -0.059 | -0.027 | 28.236 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | LEU | 0 | 0.002 | -0.008 | 29.299 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | SER | 0 | -0.042 | -0.011 | 29.403 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | LEU | 0 | 0.019 | 0.008 | 26.111 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | GLN | 0 | -0.062 | -0.038 | 28.993 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | THR | 0 | 0.000 | 0.002 | 23.759 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | LYS | 1 | 0.886 | 0.946 | 25.201 | 12.024 | 12.024 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLU | -1 | -0.895 | -0.941 | 22.644 | -13.575 | -13.575 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | LEU | 0 | -0.082 | -0.045 | 20.100 | 0.648 | 0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | GLY | 0 | -0.021 | -0.026 | 20.230 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | SER | 0 | 0.029 | 0.031 | 16.115 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | VAL | 0 | -0.069 | -0.023 | 11.401 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | ASP | -1 | -0.921 | -0.966 | 12.821 | -19.623 | -19.623 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | VAL | 0 | -0.030 | 0.005 | 7.167 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | PHE | 0 | -0.062 | -0.045 | 3.751 | 3.169 | 3.481 | 0.001 | -0.034 | -0.279 | 0.000 |
358 | A | 359 | PRO | 0 | -0.033 | -0.018 | 5.888 | -6.277 | -6.277 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | GLN | 0 | 0.078 | 0.070 | 1.604 | -33.702 | -51.627 | 39.346 | -13.502 | -7.919 | -0.118 |
360 | A | 361 | SER | 0 | 0.008 | 0.011 | 5.942 | 2.853 | 2.853 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | LEU | 0 | 0.028 | 0.010 | 7.902 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | ALA | 0 | 0.043 | 0.022 | 11.381 | 1.320 | 1.320 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | HIS | 0 | 0.013 | 0.013 | 13.946 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | SER | 0 | -0.082 | -0.040 | 17.095 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | PRO | 0 | 0.058 | 0.041 | 18.871 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | ASN | 0 | 0.054 | 0.046 | 21.493 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | GLY | 0 | 0.054 | 0.031 | 21.595 | 0.506 | 0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | ARG | 1 | 0.833 | 0.911 | 22.540 | 12.602 | 12.602 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | PHE | 0 | -0.079 | -0.053 | 18.331 | 0.604 | 0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | VAL | 0 | 0.050 | 0.048 | 14.659 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | THR | 0 | -0.039 | -0.016 | 10.403 | 0.974 | 0.974 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | VAL | 0 | 0.016 | 0.019 | 9.155 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | VAL | 0 | 0.026 | -0.001 | 4.018 | 0.932 | 1.043 | -0.001 | -0.022 | -0.088 | 0.000 |
374 | A | 375 | GLY | 0 | 0.013 | -0.022 | 3.778 | -2.994 | -2.734 | 0.000 | -0.124 | -0.136 | -0.001 |
375 | A | 376 | ASP | -1 | -0.856 | -0.922 | 3.191 | -45.929 | -45.007 | 0.043 | -0.282 | -0.683 | -0.002 |
376 | A | 377 | GLY | 0 | -0.039 | -0.009 | 3.190 | 6.189 | 6.702 | 0.020 | -0.162 | -0.371 | -0.001 |
377 | A | 378 | GLU | -1 | -0.950 | -0.963 | 4.764 | -21.511 | -21.455 | -0.001 | -0.009 | -0.045 | 0.000 |
378 | A | 379 | TYR | 0 | 0.042 | 0.008 | 6.574 | -3.687 | -3.687 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | VAL | 0 | -0.008 | -0.002 | 9.105 | 3.032 | 3.032 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | ILE | 0 | -0.019 | 0.003 | 12.382 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | TYR | 0 | 0.041 | 0.017 | 14.158 | 0.945 | 0.945 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | THR | 0 | -0.054 | -0.035 | 18.102 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | ALA | 0 | 0.050 | 0.005 | 21.023 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | LEU | 0 | -0.042 | -0.024 | 21.870 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | ALA | 0 | -0.050 | -0.025 | 25.516 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | TRP | 0 | 0.062 | 0.031 | 16.055 | 0.625 | 0.625 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | ARG | 1 | 0.913 | 0.965 | 22.022 | 11.978 | 11.978 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | ASN | 0 | 0.029 | 0.008 | 16.867 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | LYS | 1 | 0.851 | 0.949 | 18.405 | 14.939 | 14.939 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | ALA | 0 | 0.001 | -0.015 | 16.705 | 0.694 | 0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | PHE | 0 | 0.011 | 0.005 | 13.412 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | GLY | 0 | -0.024 | 0.002 | 11.752 | 1.873 | 1.873 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | LYS | 1 | 0.957 | 0.983 | 8.620 | 22.634 | 22.634 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | CYS | 0 | -0.055 | -0.024 | 5.552 | 4.613 | 4.613 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | GLN | 0 | -0.110 | -0.048 | 2.999 | -12.051 | -11.592 | 0.017 | -0.123 | -0.353 | -0.001 |
396 | A | 397 | ASP | -1 | -0.792 | -0.906 | 3.499 | -53.289 | -52.529 | 0.009 | -0.409 | -0.361 | -0.003 |
397 | A | 398 | PHE | 0 | -0.027 | -0.029 | 6.228 | 4.710 | 4.710 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | VAL | 0 | 0.005 | 0.022 | 9.500 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | TRP | 0 | -0.045 | -0.039 | 12.770 | 1.407 | 1.407 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | GLY | 0 | 0.082 | 0.038 | 16.127 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | PRO | 0 | 0.050 | 0.017 | 19.198 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | ASP | -1 | -0.909 | -0.964 | 22.424 | -12.643 | -12.643 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | SER | 0 | -0.017 | -0.027 | 21.304 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | ASN | 0 | -0.078 | -0.031 | 21.571 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | SER | 0 | -0.008 | -0.004 | 19.684 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | TYR | 0 | 0.026 | 0.010 | 14.118 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | ALA | 0 | 0.035 | 0.021 | 14.114 | 0.905 | 0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | LEU | 0 | -0.061 | -0.035 | 9.668 | -1.536 | -1.536 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | ILE | 0 | 0.081 | 0.070 | 7.217 | 1.966 | 1.966 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ASP | -1 | -0.746 | -0.843 | 7.468 | -29.143 | -29.143 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | GLU | -1 | -0.841 | -0.960 | 8.305 | -30.004 | -30.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | THR | 0 | -0.210 | -0.130 | 9.330 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | GLY | 0 | 0.024 | 0.003 | 9.540 | 1.176 | 1.176 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | GLN | 0 | -0.041 | -0.008 | 10.569 | 1.648 | 1.648 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ILE | 0 | 0.047 | 0.021 | 12.148 | -1.589 | -1.589 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | LYS | 1 | 0.875 | 0.961 | 13.144 | 21.829 | 21.829 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | TYR | 0 | 0.073 | 0.050 | 14.589 | -0.943 | -0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | TYR | 0 | -0.037 | -0.024 | 14.690 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | LYS | 1 | 0.997 | 0.987 | 18.485 | 12.495 | 12.495 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | ASN | 0 | -0.079 | -0.053 | 21.828 | 0.700 | 0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | PHE | 0 | -0.029 | -0.023 | 18.133 | 0.727 | 0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | LYS | 1 | 0.946 | 0.989 | 19.771 | 12.036 | 12.036 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | GLU | -1 | -0.868 | -0.939 | 17.859 | -17.180 | -17.180 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | VAL | 0 | -0.102 | -0.039 | 19.684 | 0.929 | 0.929 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | THR | 0 | 0.036 | -0.013 | 21.371 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | SER | 0 | -0.076 | -0.026 | 22.700 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | TRP | 0 | -0.007 | -0.010 | 17.125 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | SER | 0 | -0.031 | -0.014 | 19.914 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | VAL | 0 | 0.065 | 0.030 | 17.686 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | PRO | 0 | -0.070 | -0.035 | 18.132 | -0.954 | -0.954 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | MET | 0 | 0.050 | 0.030 | 16.240 | 0.577 | 0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | HIS | 0 | -0.028 | -0.014 | 18.229 | -0.563 | -0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | SER | 0 | -0.035 | -0.010 | 16.979 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | ALA | 0 | -0.013 | -0.012 | 12.219 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | ILE | 0 | -0.010 | 0.007 | 10.471 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | ASP | -1 | -0.902 | -0.954 | 9.273 | -28.386 | -28.386 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | ARG | 1 | 0.861 | 0.927 | 7.631 | 24.098 | 24.098 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | LEU | 0 | -0.042 | -0.011 | 9.005 | 3.524 | 3.524 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | PHE | 0 | -0.031 | -0.003 | 11.373 | -1.324 | -1.324 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | SER | 0 | -0.006 | -0.002 | 14.163 | 0.709 | 0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | GLY | 0 | 0.056 | 0.025 | 16.550 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | ALA | 0 | 0.027 | 0.013 | 20.252 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | LEU | 0 | -0.050 | -0.019 | 21.732 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | LEU | 0 | -0.048 | -0.004 | 14.693 | -0.767 | -0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | GLY | 0 | 0.039 | 0.016 | 16.771 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | VAL | 0 | -0.011 | -0.008 | 13.781 | -1.836 | -1.836 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | LYS | 1 | 0.875 | 0.961 | 12.170 | 24.778 | 24.778 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | SER | 0 | -0.006 | -0.021 | 12.885 | -1.470 | -1.470 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | ASP | -1 | -0.842 | -0.922 | 15.152 | -15.782 | -15.782 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | GLY | 0 | -0.078 | -0.055 | 16.462 | 0.778 | 0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | PHE | 0 | 0.017 | 0.025 | 17.739 | 0.807 | 0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | VAL | 0 | -0.019 | -0.018 | 16.738 | -1.552 | -1.552 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | TYR | 0 | 0.005 | 0.009 | 17.883 | 1.289 | 1.289 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | PHE | 0 | 0.034 | 0.010 | 18.671 | -1.020 | -1.020 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | PHE | 0 | 0.019 | -0.010 | 18.427 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | ASP | -1 | -0.819 | -0.867 | 21.807 | -12.275 | -12.275 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | TRP | 0 | -0.017 | -0.019 | 16.439 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | ASP | -1 | -0.966 | -0.962 | 22.120 | -12.383 | -12.383 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | ASN | 0 | -0.025 | -0.014 | 24.875 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | GLY | 0 | 0.026 | 0.026 | 21.873 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | THR | 0 | -0.021 | -0.035 | 22.719 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | LEU | 0 | -0.034 | -0.006 | 22.331 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | VAL | 0 | 0.010 | -0.002 | 24.310 | 0.554 | 0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | ARG | 1 | 0.922 | 0.958 | 24.609 | 11.675 | 11.675 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | ARG | 1 | 0.873 | 0.980 | 21.883 | 12.024 | 12.024 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | ILE | 0 | -0.027 | -0.015 | 21.882 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | ASP | -1 | -0.863 | -0.955 | 21.947 | -13.130 | -13.130 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | VAL | 0 | 0.044 | 0.018 | 20.508 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | ASN | 0 | -0.033 | 0.021 | 16.535 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | ALA | 0 | 0.042 | 0.030 | 16.901 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | LYS | 1 | 0.865 | 0.929 | 13.905 | 18.382 | 18.382 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | ASP | -1 | -0.943 | -1.015 | 13.681 | -21.571 | -21.571 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | VAL | 0 | -0.005 | 0.013 | 15.762 | 1.059 | 1.059 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | ILE | 0 | -0.026 | 0.005 | 17.837 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | TRP | 0 | 0.052 | 0.014 | 20.152 | 0.767 | 0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | SER | 0 | 0.015 | 0.020 | 23.080 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | ASP | -1 | -0.867 | -0.950 | 26.195 | -12.132 | -12.132 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | ASN | 0 | -0.068 | -0.019 | 27.533 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | GLY | 0 | -0.017 | -0.022 | 26.473 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | GLU | -1 | -0.927 | -0.964 | 27.434 | -9.693 | -9.693 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | LEU | 0 | -0.006 | 0.019 | 28.424 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | VAL | 0 | -0.026 | -0.014 | 22.259 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | MET | 0 | -0.032 | -0.006 | 22.808 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | ILE | 0 | -0.018 | -0.013 | 19.739 | -0.914 | -0.914 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | VAL | 0 | -0.007 | 0.002 | 18.516 | 0.591 | 0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | ASN | 0 | 0.053 | 0.002 | 18.741 | -1.957 | -1.957 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | THR | 0 | -0.101 | -0.048 | 16.385 | -0.712 | -0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | ASN | 0 | -0.022 | -0.008 | 18.413 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | SER | 0 | 0.025 | 0.026 | 18.418 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | ASN | 0 | -0.110 | -0.085 | 20.536 | 0.920 | 0.920 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | GLY | 0 | -0.062 | -0.047 | 23.288 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | ASP | -1 | -0.931 | -0.930 | 25.947 | -10.535 | -10.535 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | GLU | -1 | -0.871 | -0.953 | 24.212 | -13.498 | -13.498 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | ALA | 0 | 0.031 | 0.053 | 27.016 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | SER | 0 | -0.082 | -0.080 | 24.173 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | GLY | 0 | 0.009 | -0.010 | 22.850 | -0.888 | -0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | TYR | 0 | 0.005 | 0.021 | 23.942 | 0.679 | 0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | THR | 0 | 0.009 | 0.003 | 25.106 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | LEU | 0 | -0.018 | -0.005 | 25.311 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | LEU | 0 | 0.034 | 0.014 | 28.322 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | PHE | 0 | -0.041 | -0.032 | 27.512 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | ASN | 0 | 0.047 | 0.021 | 29.629 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | LYS | 1 | 0.983 | 0.972 | 28.460 | 10.991 | 10.991 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | ASP | -1 | -0.895 | -0.961 | 31.894 | -8.920 | -8.920 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | ALA | 0 | 0.021 | 0.021 | 33.896 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | TYR | 0 | -0.057 | -0.069 | 28.161 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | LEU | 0 | -0.039 | -0.024 | 31.654 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | GLU | -1 | -0.933 | -0.958 | 33.933 | -7.997 | -7.997 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | ALA | 0 | 0.031 | 0.026 | 33.488 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | ALA | 0 | 0.002 | -0.018 | 31.742 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | ASN | 0 | -0.135 | -0.065 | 33.524 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | ASN | 0 | -0.071 | -0.026 | 36.891 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | GLY | 0 | -0.054 | -0.020 | 35.124 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | ASN | 0 | -0.090 | -0.052 | 35.732 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | ILE | 0 | 0.017 | 0.024 | 29.530 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | ASP | -1 | -0.835 | -0.913 | 30.111 | -10.555 | -10.555 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | ASP | -1 | -0.933 | -0.970 | 27.493 | -11.390 | -11.390 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | SER | 0 | -0.082 | -0.034 | 25.982 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | GLU | -1 | -0.947 | -0.993 | 25.445 | -11.283 | -11.283 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | GLY | 0 | -0.023 | -0.012 | 27.293 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | VAL | 0 | -0.033 | -0.046 | 28.263 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | ASP | -1 | -0.962 | -0.971 | 30.740 | -9.813 | -9.813 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | GLU | -1 | -0.882 | -0.953 | 32.313 | -9.146 | -9.146 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | ALA | 0 | -0.058 | -0.016 | 29.388 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | PHE | 0 | -0.044 | -0.039 | 24.772 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | ASP | -1 | -0.846 | -0.906 | 29.871 | -9.212 | -9.212 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | VAL | 0 | -0.023 | -0.027 | 29.027 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | LEU | 0 | -0.033 | -0.008 | 30.934 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | TYR | 0 | -0.024 | -0.020 | 30.999 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | GLU | -1 | -0.907 | -0.959 | 28.742 | -10.946 | -10.946 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | LEU | 0 | -0.056 | -0.007 | 27.098 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | SER | 0 | 0.048 | 0.018 | 28.653 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | GLU | -1 | -0.890 | -0.959 | 27.907 | -10.918 | -10.918 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | SER | 0 | 0.000 | 0.021 | 22.678 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | ILE | 0 | 0.056 | 0.025 | 21.115 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | THR | 0 | -0.060 | -0.041 | 18.357 | -0.701 | -0.701 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | SER | 0 | 0.018 | -0.012 | 18.227 | -0.884 | -0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | GLY | 0 | 0.054 | 0.015 | 19.976 | 0.808 | 0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | LYS | 1 | 0.897 | 0.951 | 19.056 | 15.446 | 15.446 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | TRP | 0 | 0.010 | 0.021 | 24.015 | 0.529 | 0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 542 | VAL | 0 | -0.011 | 0.004 | 26.962 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 543 | GLY | 0 | 0.031 | 0.025 | 29.977 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 544 | ASP | -1 | -0.794 | -0.906 | 30.668 | -10.134 | -10.134 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 545 | VAL | 0 | -0.026 | -0.012 | 31.696 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 546 | PHE | 0 | 0.004 | 0.009 | 22.930 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 547 | ILE | 0 | 0.034 | 0.010 | 27.058 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 548 | PHE | 0 | -0.041 | -0.046 | 24.312 | -0.524 | -0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 549 | THR | 0 | 0.007 | 0.010 | 21.509 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 550 | THR | 0 | -0.002 | 0.044 | 23.559 | -0.534 | -0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 551 | ALA | 0 | 0.039 | 0.011 | 22.012 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 552 | THR | 0 | -0.061 | -0.041 | 22.916 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 553 | ASN | 0 | 0.021 | 0.005 | 23.798 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 554 | ARG | 1 | 0.910 | 0.954 | 25.820 | 10.341 | 10.341 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 555 | LEU | 0 | -0.009 | 0.006 | 27.122 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 556 | ASN | 0 | 0.059 | 0.034 | 28.647 | 0.761 | 0.761 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 557 | TYR | 0 | 0.030 | 0.013 | 29.384 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 558 | PHE | 0 | -0.045 | -0.016 | 29.761 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 559 | VAL | 0 | 0.028 | 0.008 | 31.733 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 560 | GLY | 0 | 0.101 | 0.046 | 34.486 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 561 | GLY | 0 | 0.021 | 0.007 | 34.217 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 562 | LYS | 1 | 0.886 | 0.954 | 35.401 | 8.037 | 8.037 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 563 | THR | 0 | 0.025 | -0.001 | 31.673 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 564 | TYR | 0 | -0.050 | -0.020 | 33.978 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 565 | ASN | 0 | -0.079 | -0.056 | 32.378 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 566 | LEU | 0 | -0.023 | 0.002 | 31.620 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 567 | ALA | 0 | 0.028 | 0.007 | 31.954 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 568 | HIS | 0 | -0.063 | -0.015 | 30.772 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 569 | TYR | 0 | 0.065 | 0.022 | 27.234 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 570 | THR | 0 | -0.006 | -0.010 | 27.482 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 571 | LYS | 1 | 0.882 | 0.932 | 22.743 | 12.618 | 12.618 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 572 | GLU | -1 | -0.928 | -0.951 | 18.499 | -15.869 | -15.869 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 573 | MET | 0 | -0.041 | -0.012 | 21.616 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 574 | TYR | 0 | 0.003 | -0.006 | 16.297 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 575 | LEU | 0 | 0.012 | 0.026 | 20.764 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 576 | LEU | 0 | -0.087 | -0.040 | 20.131 | -0.817 | -0.817 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 577 | GLY | 0 | 0.008 | -0.016 | 21.887 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 578 | TYR | 0 | 0.008 | -0.006 | 24.546 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 579 | LEU | 0 | -0.021 | 0.004 | 27.492 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 580 | ALA | 0 | 0.084 | 0.029 | 30.402 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 581 | ARG | 1 | 0.721 | 0.828 | 31.640 | 10.088 | 10.088 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 582 | ASP | -1 | -0.734 | -0.822 | 32.616 | -9.498 | -9.498 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 583 | ASN | 0 | 0.018 | 0.021 | 34.920 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 584 | LYS | 1 | 0.984 | 1.015 | 31.982 | 9.204 | 9.204 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 585 | VAL | 0 | -0.015 | 0.011 | 27.048 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 586 | TYR | 0 | -0.019 | -0.055 | 25.996 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 587 | LEU | 0 | -0.003 | 0.001 | 23.854 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 588 | ALA | 0 | 0.039 | 0.010 | 20.767 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 589 | ASP | -1 | -0.765 | -0.884 | 21.288 | -14.038 | -14.038 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 590 | ARG | 1 | 0.824 | 0.893 | 15.572 | 16.058 | 16.058 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 591 | GLU | -1 | -1.028 | -1.023 | 17.085 | -14.408 | -14.408 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 592 | VAL | 0 | -0.020 | -0.004 | 17.934 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 593 | HIS | 0 | -0.076 | 0.003 | 20.578 | 0.882 | 0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 594 | VAL | 0 | 0.025 | -0.011 | 23.863 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 595 | TYR | 0 | 0.021 | 0.016 | 25.686 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 596 | GLY | 0 | 0.023 | 0.008 | 28.026 | -0.360 | -0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 597 | TYR | 0 | -0.016 | -0.013 | 30.640 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 598 | GLU | -1 | -0.955 | -0.992 | 32.780 | -8.556 | -8.556 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 599 | ILE | 0 | -0.032 | -0.023 | 31.898 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 600 | SER | 0 | 0.022 | 0.022 | 35.766 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 601 | LEU | 0 | 0.065 | 0.027 | 35.355 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 602 | GLU | -1 | -0.860 | -0.928 | 37.513 | -7.801 | -7.801 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 603 | VAL | 0 | -0.062 | -0.029 | 38.834 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 604 | LEU | 0 | -0.001 | -0.010 | 32.986 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 605 | GLU | -1 | -0.892 | -0.932 | 36.926 | -8.760 | -8.760 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 606 | PHE | 0 | 0.005 | 0.002 | 38.488 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 607 | GLN | 0 | -0.031 | -0.046 | 36.985 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 608 | THR | 0 | 0.016 | 0.006 | 35.404 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 609 | LEU | 0 | 0.069 | 0.040 | 37.200 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 610 | THR | 0 | -0.025 | -0.016 | 40.447 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 611 | LEU | 0 | -0.085 | -0.041 | 35.121 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 612 | ARG | 1 | 0.839 | 0.924 | 33.671 | 9.108 | 9.108 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 613 | GLY | 0 | -0.018 | 0.004 | 39.337 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 614 | GLU | -1 | -0.977 | -0.999 | 41.626 | -7.515 | -7.515 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 615 | ILE | 0 | 0.012 | 0.007 | 44.400 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 616 | GLU | -1 | -0.925 | -0.970 | 45.918 | -6.331 | -6.331 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 617 | GLU | -1 | -0.830 | -0.883 | 44.786 | -7.096 | -7.096 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 618 | ALA | 0 | 0.036 | 0.011 | 43.880 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 619 | ILE | 0 | -0.105 | -0.058 | 45.498 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 620 | GLU | -1 | -0.988 | -0.994 | 48.834 | -6.225 | -6.225 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 621 | ASN | 0 | -0.091 | -0.079 | 46.427 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 622 | VAL | 0 | -0.020 | -0.002 | 42.378 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 623 | LEU | 0 | -0.048 | -0.029 | 45.455 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 624 | PRO | 0 | -0.096 | -0.043 | 47.695 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 625 | ASN | 0 | 0.017 | 0.021 | 45.907 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 626 | VAL | 0 | -0.042 | 0.002 | 43.919 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 627 | GLU | -1 | -0.923 | -0.965 | 46.054 | -6.459 | -6.459 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 628 | GLY | 0 | 0.026 | 0.002 | 46.180 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 629 | LYS | 1 | 0.962 | 0.985 | 47.679 | 6.465 | 6.465 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 630 | ASP | -1 | -0.859 | -0.961 | 43.524 | -7.421 | -7.421 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 631 | SER | 0 | 0.039 | 0.038 | 43.581 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 632 | LEU | 0 | 0.081 | 0.038 | 44.601 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 633 | THR | 0 | -0.074 | -0.036 | 46.209 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 634 | LYS | 1 | 0.864 | 0.930 | 39.553 | 7.895 | 7.895 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 635 | ILE | 0 | 0.052 | 0.031 | 43.072 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 636 | ALA | 0 | 0.027 | 0.021 | 44.214 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 637 | ARG | 1 | 0.924 | 0.952 | 43.809 | 7.284 | 7.284 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 638 | PHE | 0 | -0.047 | 0.002 | 38.764 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 639 | LEU | 0 | 0.067 | 0.018 | 42.243 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 640 | GLU | -1 | -0.910 | -0.944 | 44.988 | -6.714 | -6.714 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 641 | GLY | 0 | -0.100 | -0.038 | 42.344 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 642 | GLN | 0 | -0.051 | -0.031 | 39.048 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 643 | GLU | -1 | -0.966 | -0.982 | 42.958 | -6.996 | -6.996 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 644 | TYR | 0 | 0.027 | 0.032 | 43.984 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 645 | TYR | 0 | -0.002 | -0.032 | 48.244 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 646 | GLU | -1 | -0.940 | -0.959 | 50.878 | -5.714 | -5.714 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 647 | GLU | -1 | -0.808 | -0.916 | 49.576 | -6.320 | -6.320 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 648 | ALA | 0 | -0.007 | -0.008 | 48.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 649 | LEU | 0 | -0.106 | -0.049 | 50.073 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 650 | ASN | 0 | -0.127 | -0.073 | 53.678 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 651 | ILE | 0 | 0.003 | 0.020 | 48.742 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 652 | SER | 0 | -0.005 | -0.016 | 50.682 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 653 | PRO | 0 | -0.071 | -0.028 | 50.396 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 654 | ASP | -1 | -0.928 | -0.965 | 50.905 | -6.271 | -6.271 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 655 | GLN | 0 | 0.026 | -0.018 | 53.150 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 656 | ASP | -1 | -0.869 | -0.922 | 53.883 | -5.778 | -5.778 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 657 | GLN | 0 | 0.023 | -0.004 | 47.685 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 658 | LYS | 1 | 0.915 | 0.963 | 52.876 | 5.701 | 5.701 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 659 | PHE | 0 | -0.002 | -0.006 | 55.531 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 660 | GLU | -1 | -0.954 | -0.984 | 52.421 | -6.154 | -6.154 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 661 | LEU | 0 | 0.013 | 0.011 | 50.422 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 662 | ALA | 0 | 0.008 | 0.008 | 54.352 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 663 | LEU | 0 | -0.047 | -0.027 | 57.995 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 664 | LYS | 1 | 0.906 | 0.974 | 51.592 | 6.277 | 6.277 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 665 | VAL | 0 | 0.004 | 0.002 | 54.826 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 666 | GLY | 0 | -0.054 | -0.047 | 57.092 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 667 | GLN | 0 | 0.003 | 0.016 | 58.593 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 668 | LEU | 0 | 0.005 | -0.017 | 61.916 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 669 | THR | 0 | -0.043 | -0.018 | 64.202 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 670 | LEU | 0 | 0.062 | 0.046 | 59.748 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 671 | ALA | 0 | 0.062 | 0.020 | 61.286 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 672 | ARG | 1 | 0.801 | 0.875 | 62.343 | 4.655 | 4.655 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 673 | ASP | -1 | -0.946 | -0.987 | 65.355 | -4.814 | -4.814 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 674 | LEU | 0 | -0.070 | -0.015 | 59.057 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 675 | LEU | 0 | -0.006 | -0.015 | 62.553 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 676 | THR | 0 | -0.036 | -0.006 | 64.924 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 677 | ASP | -1 | -0.942 | -0.995 | 68.029 | -4.737 | -4.737 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 678 | GLU | -1 | -0.874 | -0.899 | 61.003 | -5.419 | -5.419 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 679 | SER | 0 | -0.029 | -0.017 | 63.508 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 680 | ALA | 0 | 0.027 | 0.005 | 61.457 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 681 | GLU | -1 | -0.849 | -0.912 | 63.496 | -4.771 | -4.771 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 682 | MET | 0 | -0.063 | -0.036 | 58.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 683 | LYS | 1 | 0.912 | 0.964 | 58.897 | 5.465 | 5.465 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 684 | TRP | 0 | 0.054 | 0.035 | 62.279 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 685 | ARG | 1 | 0.916 | 0.949 | 62.609 | 5.093 | 5.093 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 686 | ALA | 0 | 0.003 | 0.009 | 60.032 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 687 | LEU | 0 | 0.028 | 0.020 | 62.026 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 688 | GLY | 0 | 0.002 | 0.006 | 63.978 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 689 | ASP | -1 | -0.882 | -0.949 | 62.892 | -5.041 | -5.041 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 690 | ALA | 0 | 0.035 | 0.029 | 61.245 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 691 | SER | 0 | -0.068 | -0.064 | 62.790 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 692 | LEU | 0 | -0.031 | -0.016 | 66.269 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 693 | GLN | 0 | -0.043 | -0.019 | 59.998 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 694 | ARG | 1 | 0.916 | 0.982 | 58.889 | 5.402 | 5.402 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 695 | PHE | 0 | -0.037 | -0.012 | 65.711 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 696 | ASN | 0 | 0.025 | 0.035 | 68.553 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 697 | PHE | 0 | 0.054 | -0.011 | 70.213 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 698 | LYS | 1 | 0.936 | 0.970 | 72.844 | 4.276 | 4.276 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 699 | LEU | 0 | 0.038 | 0.011 | 67.478 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 700 | ALA | 0 | 0.019 | 0.024 | 69.410 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 701 | ILE | 0 | -0.044 | -0.018 | 70.380 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 702 | GLU | -1 | -0.862 | -0.907 | 71.912 | -4.484 | -4.484 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 703 | ALA | 0 | 0.071 | 0.044 | 67.801 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 704 | PHE | 0 | 0.046 | -0.003 | 66.964 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 705 | THR | 0 | -0.085 | -0.049 | 70.773 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 706 | ASN | 0 | -0.057 | -0.038 | 70.327 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 707 | ALA | 0 | -0.023 | -0.004 | 67.855 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 708 | HIS | 1 | 0.844 | 0.922 | 69.537 | 4.500 | 4.500 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 709 | ASP | -1 | -0.809 | -0.878 | 68.452 | -4.739 | -4.739 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 710 | LEU | 0 | 0.004 | -0.026 | 70.910 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 711 | GLU | -1 | -0.857 | -0.927 | 70.936 | -4.466 | -4.466 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 712 | SER | 0 | -0.001 | -0.010 | 68.847 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 713 | LEU | 0 | -0.020 | 0.000 | 71.680 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 714 | PHE | 0 | 0.006 | -0.005 | 74.520 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 715 | LEU | 0 | 0.013 | 0.037 | 71.363 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 716 | LEU | 0 | 0.008 | 0.021 | 71.982 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 717 | HIS | 0 | 0.031 | 0.007 | 76.035 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 718 | SER | 0 | -0.056 | -0.044 | 78.324 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 719 | SER | 0 | -0.015 | -0.008 | 76.841 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 720 | PHE | 0 | -0.079 | -0.050 | 75.688 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 721 | ASN | 0 | -0.042 | -0.010 | 80.928 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 722 | ASN | 0 | 0.025 | 0.024 | 82.126 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 723 | LYS | 1 | 0.920 | 0.946 | 83.998 | 3.589 | 3.589 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 724 | GLU | -1 | -0.946 | -0.980 | 85.205 | -3.846 | -3.846 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 725 | GLY | 0 | 0.058 | 0.031 | 81.974 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 726 | LEU | 0 | -0.036 | -0.029 | 81.143 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 727 | VAL | 0 | 0.013 | 0.002 | 83.192 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 728 | THR | 0 | -0.032 | -0.004 | 81.299 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 729 | LEU | 0 | 0.036 | 0.025 | 77.096 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 730 | ALA | 0 | -0.025 | -0.018 | 80.388 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 731 | LYS | 1 | 0.946 | 0.967 | 82.667 | 3.711 | 3.711 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 732 | ASP | -1 | -0.861 | -0.919 | 78.336 | -4.103 | -4.103 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 733 | ALA | 0 | -0.045 | -0.031 | 78.085 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 734 | GLU | -1 | -0.835 | -0.917 | 79.141 | -3.780 | -3.780 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 735 | THR | 0 | -0.065 | -0.015 | 79.110 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 736 | THR | 0 | -0.069 | -0.037 | 75.269 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 737 | GLY | 0 | 0.018 | 0.015 | 76.255 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 738 | LYS | 1 | 0.863 | 0.948 | 71.868 | 4.468 | 4.468 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 739 | PHE | 0 | 0.067 | 0.007 | 77.832 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 740 | ASN | 0 | -0.007 | -0.008 | 78.775 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 741 | LEU | 0 | -0.003 | 0.003 | 76.045 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 742 | ALA | 0 | 0.056 | 0.026 | 79.269 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 743 | PHE | 0 | 0.004 | 0.007 | 82.264 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 744 | ASN | 0 | 0.017 | 0.000 | 79.753 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 745 | ALA | 0 | 0.003 | 0.016 | 81.354 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 746 | TYR | 0 | -0.044 | -0.043 | 83.111 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 747 | TRP | 0 | -0.039 | -0.028 | 86.034 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 748 | ILE | 0 | 0.001 | 0.008 | 82.036 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 749 | ALA | 0 | -0.005 | 0.016 | 86.196 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 750 | GLY | 0 | 0.007 | 0.005 | 87.678 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 751 | ASP | -1 | -0.929 | -0.954 | 89.727 | -3.535 | -3.535 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 752 | ILE | 0 | 0.016 | -0.013 | 91.194 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 753 | GLN | 0 | 0.014 | 0.002 | 93.109 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 754 | GLY | 0 | 0.067 | 0.043 | 90.511 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 755 | ALA | 0 | 0.002 | 0.004 | 88.946 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 756 | LYS | 1 | 0.869 | 0.949 | 89.962 | 3.343 | 3.343 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 757 | ASP | -1 | -0.889 | -0.961 | 92.183 | -3.450 | -3.450 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 758 | LEU | 0 | -0.028 | -0.001 | 84.704 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 759 | LEU | 0 | -0.014 | -0.010 | 88.126 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 760 | ILE | 0 | -0.023 | -0.022 | 90.198 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 761 | LYS | 1 | 0.797 | 0.886 | 88.069 | 3.698 | 3.698 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 762 | SER | 0 | -0.030 | -0.014 | 86.878 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 763 | GLN | 0 | -0.067 | -0.038 | 88.597 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 764 | ARG | 1 | 0.896 | 0.961 | 84.329 | 3.784 | 3.784 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 765 | PHE | 0 | 0.019 | 0.006 | 91.381 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 766 | SER | 0 | 0.037 | 0.016 | 93.790 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 767 | GLU | -1 | -0.883 | -0.949 | 88.929 | -3.652 | -3.652 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 768 | ALA | 0 | 0.019 | 0.020 | 93.193 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 769 | ALA | 0 | -0.009 | -0.004 | 94.648 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 770 | PHE | 0 | -0.009 | 0.002 | 93.795 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 771 | LEU | 0 | 0.013 | 0.014 | 91.998 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 772 | GLY | 0 | 0.049 | 0.011 | 95.259 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 773 | SER | 0 | -0.048 | -0.010 | 98.522 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 774 | THR | 0 | -0.039 | -0.021 | 95.408 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 775 | TYR | 0 | -0.062 | -0.045 | 92.095 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 776 | GLY | 0 | -0.008 | 0.007 | 98.213 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 777 | LEU | 0 | -0.012 | -0.007 | 97.299 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 778 | GLY | 0 | 0.008 | 0.011 | 101.650 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 779 | ASP | -1 | -0.874 | -0.953 | 104.903 | -3.023 | -3.023 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 780 | ASN | 0 | -0.063 | -0.039 | 107.002 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 781 | GLU | -1 | -0.835 | -0.922 | 100.415 | -3.267 | -3.267 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 782 | VAL | 0 | 0.035 | 0.030 | 101.590 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 783 | ASN | 0 | 0.075 | 0.032 | 103.045 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 784 | ASP | -1 | -0.924 | -0.947 | 101.700 | -3.194 | -3.194 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 785 | ILE | 0 | -0.023 | -0.023 | 97.688 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 786 | VAL | 0 | -0.009 | -0.017 | 100.384 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 787 | THR | 0 | 0.000 | 0.010 | 102.499 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 788 | LYS | 1 | 0.906 | 0.962 | 98.001 | 3.275 | 3.275 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 789 | TRP | 0 | 0.004 | -0.002 | 97.948 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 790 | LYS | 1 | 0.906 | 0.958 | 99.436 | 3.029 | 3.029 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 791 | GLU | -1 | -0.903 | -0.953 | 101.357 | -3.111 | -3.111 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 792 | ASN | 0 | -0.001 | -0.012 | 94.697 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 793 | LEU | 0 | 0.009 | 0.007 | 97.361 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 794 | ILE | 0 | -0.001 | 0.010 | 99.076 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 795 | LEU | 0 | -0.051 | -0.019 | 97.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 796 | ASN | 0 | -0.088 | -0.043 | 93.665 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 797 | GLY | 0 | -0.009 | 0.002 | 96.741 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 798 | LYS | 1 | 0.904 | 0.950 | 93.829 | 3.418 | 3.418 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 799 | ASN | 0 | 0.070 | 0.011 | 100.556 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 800 | THR | 0 | 0.058 | 0.028 | 102.839 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 801 | VAL | 0 | -0.027 | -0.019 | 99.458 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 802 | SER | 0 | -0.027 | -0.008 | 102.706 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 803 | GLU | -1 | -0.923 | -0.963 | 103.721 | -2.963 | -2.963 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 804 | ARG | 1 | 0.858 | 0.932 | 103.401 | 3.118 | 3.118 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 805 | VAL | 0 | -0.040 | -0.007 | 102.439 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 806 | CYS | 0 | -0.033 | -0.018 | 104.715 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 807 | GLY | 0 | 0.044 | 0.028 | 105.318 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 808 | ALA | 0 | -0.031 | -0.025 | 106.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 809 | GLU | -1 | -0.871 | -0.943 | 107.066 | -2.949 | -2.949 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 810 | GLY | 0 | -0.076 | -0.027 | 108.163 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 811 | LEU | 0 | -0.056 | -0.032 | 102.824 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 812 | PRO | 0 | -0.006 | 0.007 | 105.951 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |