FMODB ID: LL1M9
Calculation Name: 6XE1-EHL-Xray213
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 6XE1
Chain ID: EHL
UniProt ID: P0DTC2
Base Structure: X-ray
Registration Date: 2021-04-08
Reference: K. Watanabe, C. Watanabe, T. Honma, Y.S. Tian, Y. Kawashima, N. Kawashita, T. Takagi, K. Fukuzawa, Intermolecular interaction analyses on SARS-CoV-2 receptor binding domain and human angiotensin-converting enzyme 2 receptor-blocking antibody/peptide using fragment molecular orbital calculation, J. Phys. Chem. Lett. 2021, 12, 16, 4059-4066
DOI: 10.1021/acs.jpclett.1c00663
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Manual |
Number of fragment | 617 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12394240.133671 |
---|---|
FMO2-HF: Nuclear repulsion | 12155410.381806 |
FMO2-HF: Total energy | -238829.751865 |
FMO2-MP2: Total energy | -239525.167116 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-425 : frag 426-617)
"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. |
-381.9633 | -334.3163 | 194.8061 | -95.4954 | -146.9577 | -0.0022 |
Interactive mode: IFIE and PIEDA for fragment #1(H:2:VAL )
Summations of interaction energy for
fragment #1(H:2:VAL )
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-9.702 | -2.802 | 7.732 | -5.928 | -8.701 | -0.024 |
Interaction energy analysis for fragmet #1(H:2:VAL )
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 | H | 4 | LEU | 0 | 0.021 | 0.012 | 3.849 | -0.558 | 1.808 | -0.026 | -1.237 | -1.102 | 0.004 |
4 | H | 5 | VAL | 0 | 0.007 | 0.005 | 6.856 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | H | 6 | GLU | -1 | -0.824 | -0.926 | 9.988 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | H | 7 | SER | 0 | -0.022 | -0.016 | 13.379 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | H | 8 | GLY | 0 | 0.037 | 0.008 | 16.792 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | H | 9 | GLY | 0 | 0.005 | 0.019 | 19.763 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | H | 10 | GLY | 0 | 0.005 | -0.008 | 21.431 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | H | 11 | LEU | 0 | -0.049 | -0.020 | 24.940 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | H | 12 | ILE | 0 | -0.010 | 0.010 | 28.467 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | H | 13 | GLN | 0 | 0.064 | 0.031 | 30.583 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | H | 14 | PRO | 0 | 0.001 | -0.022 | 33.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | H | 15 | GLY | 0 | -0.027 | -0.005 | 33.724 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | H | 16 | GLY | 0 | -0.006 | 0.004 | 32.188 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | H | 17 | SER | 0 | -0.014 | -0.043 | 28.443 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | H | 18 | LEU | 0 | -0.025 | -0.007 | 24.037 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | H | 19 | ARG | 1 | 0.913 | 0.962 | 19.005 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | H | 20 | LEU | 0 | -0.004 | 0.020 | 17.746 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | H | 21 | SER | 0 | -0.007 | -0.022 | 15.897 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | H | 92 | CYS | 0 | -0.062 | 0.001 | 10.716 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | H | 23 | ALA | 0 | 0.011 | 0.010 | 10.146 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | H | 24 | ALA | 0 | 0.045 | 0.028 | 6.114 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | H | 25 | SER | 0 | -0.001 | 0.005 | 2.649 | -0.289 | 0.531 | 0.059 | -0.391 | -0.488 | -0.001 |
25 | H | 26 | GLY | 0 | 0.036 | 0.015 | 2.357 | -2.456 | -0.992 | 4.380 | -3.164 | -2.679 | -0.019 |
26 | H | 27 | VAL | 0 | -0.002 | -0.001 | 2.747 | -2.076 | -0.973 | 0.241 | -0.179 | -1.165 | -0.003 |
27 | H | 28 | ILE | 0 | 0.019 | 0.030 | 5.430 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | H | 29 | VAL | 0 | -0.002 | -0.001 | 9.091 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | H | 30 | SER | 0 | -0.030 | -0.036 | 10.980 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | H | 31 | SER | 0 | -0.025 | 0.014 | 11.230 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | H | 32 | ASN | 0 | 0.004 | -0.002 | 8.412 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | H | 33 | TYR | 0 | -0.042 | -0.014 | 11.424 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | H | 34 | MET | 0 | -0.023 | -0.004 | 7.330 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | H | 35 | SER | 0 | 0.044 | 0.007 | 12.446 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | H | 36 | TRP | 0 | -0.008 | 0.000 | 13.476 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | H | 37 | VAL | 0 | -0.005 | -0.008 | 15.232 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | H | 38 | ARG | 1 | 0.776 | 0.862 | 16.841 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | H | 39 | GLN | 0 | 0.016 | 0.016 | 19.059 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | H | 40 | ALA | 0 | 0.041 | 0.032 | 21.104 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | H | 41 | PRO | 0 | 0.035 | 0.000 | 24.542 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | H | 42 | GLY | 0 | 0.026 | 0.027 | 25.067 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | H | 43 | LYS | 1 | 0.804 | 0.896 | 24.928 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | H | 44 | GLY | 0 | 0.090 | 0.044 | 22.792 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | H | 45 | LEU | 0 | -0.028 | -0.004 | 16.765 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | H | 46 | GLU | -1 | -0.794 | -0.870 | 20.676 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | H | 47 | TRP | 0 | 0.004 | -0.004 | 17.597 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | H | 48 | VAL | 0 | -0.003 | 0.000 | 19.386 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | H | 49 | SER | 0 | -0.011 | -0.028 | 19.208 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | H | 50 | VAL | 0 | -0.013 | 0.008 | 15.623 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | H | 51 | ILE | 0 | -0.001 | 0.008 | 15.429 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | H | 52 | TYR | 0 | 0.046 | 0.010 | 15.737 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | H | 53 | SER | 0 | 0.002 | 0.005 | 14.907 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | H | 54 | GLY | 0 | 0.056 | 0.026 | 16.374 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | H | 55 | GLY | 0 | -0.029 | -0.010 | 19.324 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | H | 56 | SER | 0 | -0.038 | -0.043 | 20.788 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | H | 57 | THR | 0 | -0.031 | -0.012 | 20.464 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | H | 58 | TYR | 0 | -0.008 | -0.009 | 21.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | H | 59 | TYR | 0 | 0.016 | 0.013 | 21.838 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | H | 60 | ALA | 0 | 0.054 | 0.032 | 23.870 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | H | 61 | ASP | -1 | -0.843 | -0.922 | 25.539 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | H | 62 | SER | 0 | -0.026 | 0.001 | 26.701 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | H | 63 | VAL | 0 | -0.004 | -0.011 | 24.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | H | 64 | LYS | 1 | 0.847 | 0.916 | 27.674 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | H | 65 | GLY | 0 | -0.007 | 0.002 | 28.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | H | 66 | ARG | 1 | 0.735 | 0.841 | 28.739 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | H | 67 | PHE | 0 | 0.017 | -0.005 | 23.078 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | H | 68 | THR | 0 | -0.041 | -0.026 | 23.910 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | H | 69 | ILE | 0 | -0.012 | 0.010 | 16.369 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | H | 70 | SER | 0 | -0.009 | -0.009 | 18.955 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | H | 71 | ARG | 1 | 0.865 | 0.912 | 15.007 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | H | 72 | ASP | -1 | -0.770 | -0.839 | 15.578 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | H | 73 | ASN | 0 | 0.032 | 0.014 | 14.607 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | H | 74 | SER | 0 | -0.075 | -0.061 | 14.891 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | H | 75 | LYS | 1 | 0.861 | 0.921 | 14.160 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | H | 76 | ASN | 0 | -0.023 | -0.010 | 7.533 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | H | 77 | THR | 0 | 0.021 | 0.002 | 10.102 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | H | 78 | LEU | 0 | 0.020 | 0.007 | 12.224 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | H | 79 | TYR | 0 | -0.039 | -0.030 | 13.956 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | H | 80 | LEU | 0 | 0.021 | 0.008 | 17.363 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | H | 81 | GLN | 0 | -0.009 | -0.005 | 19.938 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | H | 82 | MET | 0 | -0.034 | -0.007 | 22.599 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | H | 82 | ASN | 0 | 0.080 | 0.052 | 25.799 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | H | 82 | SER | 0 | 0.003 | 0.006 | 29.578 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | H | 82 | LEU | 0 | -0.003 | 0.016 | 26.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | H | 83 | ARG | 1 | 0.876 | 0.909 | 30.190 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | H | 84 | ALA | 0 | 0.054 | 0.028 | 30.336 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | H | 85 | GLU | -1 | -0.805 | -0.893 | 29.831 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | H | 86 | ASP | -1 | -0.766 | -0.837 | 26.313 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | H | 87 | THR | 0 | -0.018 | 0.001 | 25.306 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | H | 88 | ALA | 0 | -0.008 | -0.010 | 22.092 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | H | 89 | VAL | 0 | -0.020 | 0.005 | 17.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | H | 90 | TYR | 0 | -0.033 | -0.037 | 17.717 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | H | 91 | TYR | 0 | 0.052 | 0.025 | 12.585 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | H | 93 | ALA | 0 | 0.064 | 0.020 | 8.926 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | H | 94 | ARG | 1 | 0.754 | 0.841 | 5.619 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | H | 95 | ASP | -1 | -0.872 | -0.960 | 9.082 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | H | 96 | LEU | 0 | -0.030 | -0.003 | 8.079 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | H | 97 | ASP | -1 | -0.816 | -0.908 | 12.034 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | H | 98 | VAL | 0 | -0.032 | -0.039 | 15.245 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | H | 99 | SER | 0 | -0.019 | -0.010 | 13.995 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | H | 100 | GLY | 0 | -0.019 | -0.023 | 11.260 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | H | 100 | GLY | 0 | -0.022 | 0.008 | 11.251 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | H | 100 | MET | 0 | -0.015 | -0.005 | 10.466 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | H | 101 | ASP | -1 | -0.716 | -0.834 | 5.843 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | H | 102 | VAL | 0 | -0.061 | -0.024 | 2.498 | -0.565 | -0.597 | 1.466 | -0.280 | -1.153 | -0.001 |
106 | H | 103 | TRP | 0 | -0.003 | -0.030 | 5.332 | 0.215 | 0.255 | -0.001 | 0.000 | -0.038 | 0.000 |
107 | H | 104 | GLY | 0 | 0.014 | 0.014 | 6.838 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | H | 105 | GLN | 0 | -0.043 | -0.032 | 9.068 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | H | 106 | GLY | 0 | 0.023 | 0.023 | 11.540 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | H | 107 | THR | 0 | -0.057 | -0.039 | 14.489 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | H | 108 | THR | 0 | 0.009 | -0.007 | 17.434 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | H | 109 | VAL | 0 | 0.003 | 0.012 | 21.010 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | H | 110 | THR | 0 | -0.054 | -0.036 | 23.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | H | 111 | VAL | 0 | 0.033 | 0.020 | 27.424 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | H | 112 | SER | 0 | -0.009 | -0.017 | 30.258 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | H | 113 | SER | 0 | 0.030 | 0.007 | 33.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | H | 114 | ALA | 0 | -0.035 | 0.004 | 36.438 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | H | 115 | SER | 0 | 0.014 | 0.002 | 36.797 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | H | 116 | THR | 0 | -0.046 | -0.024 | 34.732 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | H | 117 | LYS | 1 | 0.830 | 0.913 | 37.364 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | H | 118 | GLY | 0 | 0.092 | 0.053 | 38.707 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | H | 119 | PRO | 0 | -0.037 | -0.022 | 38.489 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | H | 120 | SER | 0 | -0.006 | 0.004 | 40.907 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | H | 121 | VAL | 0 | -0.017 | -0.007 | 41.924 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | H | 122 | PHE | 0 | 0.013 | -0.003 | 44.515 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | H | 123 | PRO | 0 | 0.019 | 0.013 | 45.997 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | H | 124 | LEU | 0 | -0.047 | -0.018 | 43.902 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | H | 125 | ALA | 0 | 0.033 | 0.009 | 47.995 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | H | 126 | PRO | 0 | 0.022 | 0.018 | 50.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | H | 127 | SER | 0 | 0.011 | 0.012 | 51.789 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | H | 128 | SER | 0 | 0.011 | 0.003 | 54.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | H | 129 | LYS | 1 | 0.998 | 0.989 | 56.315 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | H | 130 | SER | 0 | -0.016 | -0.015 | 51.321 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | H | 131 | THR | 0 | -0.038 | -0.018 | 51.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | H | 132 | SER | 0 | -0.057 | -0.025 | 48.879 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | H | 133 | GLY | 0 | 0.060 | 0.019 | 51.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | H | 134 | GLY | 0 | 0.003 | 0.003 | 52.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | H | 135 | THR | 0 | -0.084 | -0.039 | 47.629 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | H | 136 | ALA | 0 | 0.023 | 0.001 | 49.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | H | 137 | ALA | 0 | 0.003 | 0.010 | 45.440 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | H | 138 | LEU | 0 | -0.011 | -0.001 | 45.703 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | H | 139 | GLY | 0 | 0.046 | 0.007 | 43.754 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | H | 196 | CYS | 0 | -0.038 | 0.001 | 42.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | H | 141 | LEU | 0 | -0.013 | -0.006 | 41.789 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | H | 142 | VAL | 0 | -0.007 | -0.004 | 37.906 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | H | 143 | LYS | 1 | 0.908 | 0.951 | 39.461 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | H | 144 | ASP | -1 | -0.783 | -0.901 | 40.625 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | H | 145 | TYR | 0 | -0.047 | -0.035 | 33.005 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | H | 146 | PHE | 0 | 0.040 | 0.024 | 32.874 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | H | 147 | PRO | 0 | 0.013 | 0.014 | 30.868 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | H | 148 | GLU | -1 | -0.783 | -0.881 | 28.754 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | H | 149 | PRO | 0 | -0.021 | -0.006 | 27.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | H | 150 | VAL | 0 | -0.005 | -0.016 | 30.152 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | H | 151 | THR | 0 | -0.016 | 0.001 | 30.501 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | H | 152 | VAL | 0 | -0.009 | -0.013 | 33.122 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | H | 153 | SER | 0 | -0.024 | 0.001 | 35.221 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | H | 154 | TRP | 0 | 0.063 | 0.017 | 37.341 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | H | 155 | ASN | 0 | 0.001 | -0.003 | 40.810 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | H | 156 | SER | 0 | -0.018 | -0.024 | 40.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | H | 157 | GLY | 0 | -0.003 | 0.007 | 37.559 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | H | 158 | ALA | 0 | -0.012 | 0.004 | 38.192 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | H | 159 | LEU | 0 | -0.045 | -0.015 | 40.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | H | 160 | THR | 0 | 0.013 | -0.007 | 35.661 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | H | 161 | SER | 0 | -0.008 | 0.000 | 36.891 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | H | 162 | GLY | 0 | 0.040 | 0.012 | 38.994 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | H | 163 | VAL | 0 | -0.020 | -0.002 | 36.187 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | H | 164 | HIS | 0 | -0.012 | -0.010 | 35.684 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | H | 165 | THR | 0 | 0.006 | 0.003 | 33.533 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | H | 166 | PHE | 0 | -0.032 | 0.000 | 33.223 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | H | 167 | PRO | 0 | 0.037 | 0.013 | 29.837 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | H | 168 | ALA | 0 | 0.004 | 0.020 | 31.290 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | H | 169 | VAL | 0 | -0.004 | -0.003 | 32.432 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | H | 170 | LEU | 0 | -0.014 | 0.000 | 32.677 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | H | 171 | GLN | 0 | -0.009 | -0.008 | 35.334 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | H | 172 | SER | 0 | 0.026 | -0.006 | 38.798 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | H | 173 | SER | 0 | -0.020 | 0.000 | 41.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | H | 174 | GLY | 0 | 0.005 | 0.008 | 37.366 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | H | 175 | LEU | 0 | -0.076 | -0.023 | 36.584 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | H | 176 | TYR | 0 | 0.017 | 0.003 | 30.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | H | 177 | SER | 0 | -0.006 | -0.007 | 36.214 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | H | 178 | LEU | 0 | -0.001 | 0.014 | 34.155 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | H | 179 | SER | 0 | 0.005 | 0.005 | 37.364 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | H | 180 | SER | 0 | -0.014 | -0.017 | 37.339 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | H | 181 | VAL | 0 | 0.025 | -0.003 | 38.968 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | H | 182 | VAL | 0 | 0.024 | 0.010 | 40.055 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | H | 183 | THR | 0 | -0.042 | -0.010 | 42.394 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | H | 184 | VAL | 0 | 0.032 | 0.016 | 44.519 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | H | 185 | PRO | 0 | 0.050 | 0.016 | 47.311 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | H | 186 | SER | 0 | 0.002 | 0.006 | 50.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | H | 187 | SER | 0 | 0.003 | -0.005 | 53.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | H | 188 | SER | 0 | 0.019 | 0.006 | 50.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 189 | LEU | 0 | -0.028 | -0.009 | 51.294 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 190 | GLY | 0 | 0.000 | 0.002 | 53.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 191 | THR | 0 | -0.026 | -0.005 | 54.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 192 | GLN | 0 | -0.035 | -0.012 | 48.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 193 | THR | 0 | 0.005 | 0.011 | 50.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 194 | TYR | 0 | 0.014 | -0.007 | 46.231 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 195 | ILE | 0 | -0.002 | -0.008 | 44.697 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 197 | ASN | 0 | -0.016 | -0.011 | 39.467 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 198 | VAL | 0 | 0.020 | 0.012 | 37.890 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 199 | ASN | 0 | -0.006 | -0.012 | 32.854 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 200 | HIS | 0 | 0.007 | -0.016 | 33.928 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 201 | LYS | 1 | 0.943 | 0.958 | 30.194 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 202 | PRO | 0 | 0.014 | 0.008 | 30.929 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 203 | SER | 0 | 0.018 | 0.010 | 33.325 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 204 | ASN | 0 | -0.046 | -0.008 | 36.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 205 | THR | 0 | 0.017 | 0.020 | 37.674 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 206 | LYS | 1 | 0.832 | 0.895 | 38.628 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 207 | VAL | 0 | 0.008 | 0.002 | 40.748 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 208 | ASP | -1 | -0.789 | -0.869 | 42.390 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 209 | LYS | 1 | 0.838 | 0.917 | 44.693 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 210 | LYS | 1 | 0.863 | 0.913 | 46.435 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 211 | VAL | 0 | -0.036 | -0.027 | 46.463 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 212 | GLU | -1 | -0.817 | -0.887 | 49.573 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 213 | PRO | 0 | 0.027 | 0.000 | 52.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 214 | LYS | 1 | 0.845 | 0.919 | 55.223 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | L | 2 | ILE | 0 | -0.008 | -0.009 | 27.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | L | 3 | VAL | 0 | 0.014 | 0.020 | 27.878 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | L | 4 | LEU | 0 | 0.006 | 0.001 | 23.852 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | L | 5 | THR | 0 | 0.013 | 0.002 | 27.915 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | L | 6 | GLN | 0 | -0.002 | -0.023 | 23.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | L | 7 | SER | 0 | -0.006 | 0.016 | 28.606 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | L | 8 | PRO | 0 | 0.044 | 0.012 | 30.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | L | 9 | GLY | 0 | 0.050 | 0.019 | 29.823 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | L | 10 | THR | 0 | -0.005 | -0.012 | 29.185 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | L | 11 | LEU | 0 | -0.016 | -0.003 | 28.004 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | L | 12 | SER | 0 | -0.010 | -0.021 | 29.709 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | L | 13 | LEU | 0 | -0.047 | -0.025 | 29.357 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | L | 14 | SER | 0 | 0.017 | -0.014 | 31.071 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | L | 15 | PRO | 0 | -0.026 | -0.026 | 28.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | L | 16 | GLY | 0 | -0.019 | -0.003 | 28.905 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | L | 17 | GLU | -1 | -0.851 | -0.902 | 30.548 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | L | 18 | ARG | 1 | 0.958 | 0.983 | 28.975 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | L | 19 | ALA | 0 | 0.002 | 0.005 | 26.233 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | L | 20 | THR | 0 | -0.021 | -0.026 | 27.498 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | L | 21 | LEU | 0 | 0.007 | 0.015 | 23.773 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | L | 22 | SER | 0 | -0.021 | 0.000 | 27.044 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | L | 88 | CYS | 0 | -0.071 | -0.023 | 19.574 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | L | 24 | ARG | 1 | 0.844 | 0.925 | 27.627 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | L | 25 | ALA | 0 | 0.014 | 0.011 | 28.415 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | L | 26 | SER | 0 | -0.014 | -0.006 | 30.254 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | L | 27 | GLN | 0 | -0.015 | -0.017 | 31.404 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | L | 27 | SER | 0 | -0.017 | -0.006 | 31.159 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | L | 28 | VAL | 0 | 0.008 | -0.001 | 25.168 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | L | 29 | SER | 0 | -0.004 | 0.004 | 26.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | L | 30 | SER | 0 | 0.058 | 0.018 | 24.769 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | L | 31 | SER | 0 | 0.001 | -0.002 | 21.624 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | L | 32 | TYR | 0 | -0.006 | -0.009 | 20.136 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | L | 33 | LEU | 0 | -0.005 | 0.015 | 21.218 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | L | 34 | ALA | 0 | -0.021 | -0.003 | 16.195 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | L | 35 | TRP | 0 | -0.006 | -0.010 | 17.169 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | L | 36 | TYR | 0 | 0.017 | -0.004 | 12.437 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | L | 37 | GLN | 0 | -0.015 | -0.013 | 15.117 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | L | 38 | GLN | 0 | 0.007 | -0.011 | 15.009 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | L | 39 | LYS | 1 | 0.869 | 0.934 | 16.637 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | L | 40 | PRO | 0 | 0.046 | 0.014 | 18.176 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | L | 41 | GLY | 0 | -0.013 | -0.003 | 19.057 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | L | 42 | GLN | 0 | -0.041 | -0.008 | 14.137 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | L | 43 | ALA | 0 | 0.075 | 0.041 | 10.968 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | L | 44 | PRO | 0 | -0.064 | -0.029 | 12.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | L | 45 | ARG | 1 | 0.966 | 0.995 | 10.003 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | L | 46 | LEU | 0 | -0.003 | 0.005 | 10.257 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | L | 47 | LEU | 0 | -0.088 | -0.037 | 11.998 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | L | 48 | ILE | 0 | 0.005 | -0.006 | 14.571 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | L | 49 | TYR | 0 | 0.047 | 0.038 | 13.116 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | L | 50 | GLY | 0 | 0.062 | 0.031 | 16.284 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | L | 51 | ALA | 0 | -0.037 | -0.032 | 19.456 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | L | 52 | SER | 0 | -0.081 | -0.037 | 20.262 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | L | 53 | SER | 0 | -0.009 | 0.015 | 16.359 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | L | 54 | ARG | 1 | 0.848 | 0.910 | 15.116 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | L | 55 | ALA | 0 | 0.033 | 0.026 | 9.978 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | L | 56 | THR | 0 | 0.007 | -0.015 | 7.617 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | L | 57 | GLY | 0 | 0.018 | 0.008 | 8.957 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | L | 58 | ILE | 0 | -0.088 | -0.023 | 11.183 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | L | 59 | PRO | 0 | 0.022 | 0.000 | 13.955 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | L | 60 | ASP | -1 | -0.821 | -0.920 | 17.436 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | L | 61 | ARG | 1 | 0.718 | 0.841 | 19.858 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | L | 62 | PHE | 0 | -0.012 | 0.007 | 18.171 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | L | 63 | SER | 0 | -0.004 | -0.006 | 20.262 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | L | 64 | GLY | 0 | 0.030 | 0.015 | 21.902 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | L | 65 | SER | 0 | -0.009 | -0.004 | 22.778 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | L | 66 | GLY | 0 | 0.058 | 0.015 | 25.855 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | L | 67 | SER | 0 | -0.009 | -0.013 | 27.406 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | L | 68 | GLY | 0 | 0.017 | 0.025 | 29.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | L | 69 | THR | 0 | 0.023 | -0.004 | 30.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | L | 70 | ASP | -1 | -0.838 | -0.882 | 30.773 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | L | 71 | PHE | 0 | 0.001 | -0.002 | 25.443 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | L | 72 | THR | 0 | -0.009 | -0.020 | 26.443 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | L | 73 | LEU | 0 | -0.006 | 0.023 | 20.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | L | 74 | THR | 0 | -0.016 | -0.025 | 24.026 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | L | 75 | ILE | 0 | -0.002 | 0.012 | 22.194 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | L | 76 | SER | 0 | -0.018 | -0.021 | 24.549 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | L | 77 | ARG | 1 | 0.848 | 0.887 | 25.964 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | L | 78 | LEU | 0 | -0.033 | 0.000 | 24.886 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | L | 79 | GLU | -1 | -0.762 | -0.852 | 22.713 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | L | 80 | PRO | 0 | 0.011 | -0.006 | 24.230 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | L | 81 | GLU | -1 | -0.834 | -0.898 | 18.722 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | L | 82 | ASP | -1 | -0.736 | -0.837 | 19.687 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | L | 83 | PHE | 0 | -0.016 | 0.010 | 21.584 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | L | 84 | ALA | 0 | -0.002 | -0.005 | 19.589 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | L | 85 | VAL | 0 | -0.017 | -0.001 | 20.764 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | L | 86 | TYR | 0 | -0.011 | -0.024 | 19.553 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | L | 87 | TYR | 0 | 0.001 | 0.014 | 18.406 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | L | 89 | GLN | 0 | 0.047 | 0.018 | 16.949 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | L | 90 | GLN | 0 | 0.011 | 0.007 | 20.684 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | L | 91 | TYR | 0 | 0.033 | -0.010 | 17.846 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | L | 92 | GLY | 0 | 0.050 | 0.034 | 20.687 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | L | 93 | SER | 0 | 0.004 | 0.001 | 23.553 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | L | 94 | SER | 0 | -0.015 | 0.020 | 24.415 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | L | 95 | PRO | 0 | 0.021 | 0.001 | 24.167 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | L | 96 | GLN | 0 | -0.027 | -0.007 | 16.579 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | L | 97 | THR | 0 | -0.029 | -0.028 | 22.112 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | L | 98 | PHE | 0 | 0.024 | -0.001 | 16.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | L | 99 | GLY | 0 | 0.013 | 0.016 | 22.354 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | L | 100 | GLN | 0 | -0.047 | -0.031 | 23.878 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | L | 101 | GLY | 0 | 0.008 | 0.009 | 23.721 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | L | 102 | THR | 0 | -0.064 | -0.033 | 24.274 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | L | 103 | LYS | 1 | 0.901 | 0.947 | 24.475 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | L | 104 | LEU | 0 | -0.022 | -0.003 | 23.896 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | L | 105 | GLU | -1 | -0.831 | -0.857 | 25.959 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | L | 106 | ILE | 0 | 0.041 | 0.030 | 27.241 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | L | 107 | LYS | 1 | 0.937 | 0.980 | 30.285 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | L | 108 | ARG | 1 | 0.855 | 0.927 | 33.891 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | L | 109 | THR | 0 | 0.012 | -0.002 | 36.754 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | L | 110 | VAL | 0 | -0.003 | 0.010 | 40.093 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | L | 111 | ALA | 0 | -0.014 | -0.002 | 40.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | L | 112 | ALA | 0 | 0.036 | 0.016 | 42.376 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | L | 113 | PRO | 0 | -0.010 | 0.013 | 42.885 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | L | 114 | SER | 0 | -0.004 | 0.012 | 44.315 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | L | 115 | VAL | 0 | 0.005 | 0.003 | 45.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | L | 116 | PHE | 0 | -0.001 | -0.016 | 45.383 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | L | 117 | ILE | 0 | -0.013 | -0.007 | 47.624 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | L | 118 | PHE | 0 | -0.006 | 0.000 | 45.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | L | 119 | PRO | 0 | -0.003 | -0.005 | 50.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | L | 120 | PRO | 0 | 0.001 | 0.021 | 50.582 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | L | 121 | SER | 0 | 0.015 | 0.009 | 50.508 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | L | 122 | ASP | -1 | -0.746 | -0.881 | 52.330 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | L | 123 | GLU | -1 | -0.857 | -0.927 | 51.657 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | L | 124 | GLN | 0 | -0.007 | 0.021 | 46.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | L | 125 | LEU | 0 | 0.019 | 0.008 | 51.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | L | 126 | LYS | 1 | 0.899 | 0.956 | 54.588 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | L | 127 | SER | 0 | -0.015 | 0.003 | 50.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | L | 128 | GLY | 0 | 0.028 | 0.026 | 52.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | L | 129 | THR | 0 | -0.080 | -0.039 | 48.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | L | 130 | ALA | 0 | 0.004 | -0.002 | 51.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | L | 131 | SER | 0 | 0.005 | -0.016 | 46.010 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | L | 132 | VAL | 0 | -0.030 | -0.002 | 48.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | L | 133 | VAL | 0 | 0.012 | 0.011 | 43.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | L | 194 | CYS | 0 | -0.052 | -0.009 | 45.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | L | 135 | LEU | 0 | -0.027 | -0.002 | 41.093 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | L | 136 | LEU | 0 | 0.024 | 0.008 | 41.532 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | L | 137 | ASN | 0 | 0.001 | -0.019 | 40.654 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | L | 138 | ASN | 0 | 0.000 | -0.010 | 38.040 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | L | 139 | PHE | 0 | -0.017 | 0.002 | 38.710 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | L | 140 | TYR | 0 | 0.034 | -0.013 | 33.932 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | L | 141 | PRO | 0 | 0.038 | 0.020 | 37.100 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | L | 142 | ARG | 1 | 0.993 | 0.979 | 32.807 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | L | 143 | GLU | -1 | -0.962 | -0.971 | 36.599 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | L | 144 | ALA | 0 | 0.028 | -0.001 | 39.131 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | L | 145 | LYS | 1 | 0.914 | 0.976 | 41.562 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | L | 146 | VAL | 0 | 0.036 | 0.009 | 42.838 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | L | 147 | GLN | 0 | -0.013 | -0.006 | 45.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | L | 148 | TRP | 0 | 0.010 | 0.001 | 45.537 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | L | 149 | LYS | 1 | 0.831 | 0.903 | 50.160 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | L | 150 | VAL | 0 | -0.003 | -0.001 | 53.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | L | 151 | ASP | -1 | -0.781 | -0.895 | 56.137 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | L | 152 | ASN | 0 | -0.039 | -0.027 | 58.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | L | 153 | ALA | 0 | 0.022 | 0.031 | 57.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | L | 154 | LEU | 0 | -0.003 | -0.010 | 52.203 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | L | 155 | GLN | 0 | -0.016 | 0.004 | 50.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | L | 156 | SER | 0 | -0.005 | -0.020 | 47.617 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | L | 157 | GLY | 0 | 0.026 | 0.018 | 45.527 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | L | 158 | ASN | 0 | -0.022 | -0.015 | 45.849 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | L | 159 | SER | 0 | -0.006 | -0.004 | 44.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | L | 160 | GLN | 0 | -0.024 | -0.016 | 38.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | L | 161 | GLU | -1 | -0.894 | -0.957 | 38.102 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | L | 162 | SER | 0 | -0.031 | -0.022 | 34.411 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | L | 163 | VAL | 0 | -0.043 | -0.018 | 32.239 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | L | 164 | THR | 0 | 0.013 | 0.003 | 31.900 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | L | 165 | GLU | -1 | -0.911 | -0.971 | 25.098 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | L | 166 | GLN | 0 | -0.099 | -0.063 | 28.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | L | 167 | ASP | -1 | -0.762 | -0.866 | 29.158 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | L | 168 | SER | 0 | -0.006 | -0.017 | 28.145 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | L | 169 | LYS | 1 | 0.809 | 0.900 | 29.721 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | L | 170 | ASP | -1 | -0.750 | -0.846 | 33.139 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | L | 171 | SER | 0 | -0.038 | -0.006 | 32.166 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | L | 172 | THR | 0 | -0.087 | -0.060 | 33.232 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | L | 173 | TYR | 0 | -0.043 | -0.055 | 31.096 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | L | 174 | SER | 0 | 0.063 | 0.034 | 35.342 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | L | 175 | LEU | 0 | -0.053 | -0.018 | 36.108 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | L | 176 | SER | 0 | -0.001 | 0.006 | 38.402 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 177 | SER | 0 | 0.056 | 0.031 | 39.710 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 178 | THR | 0 | -0.008 | -0.014 | 41.590 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 179 | LEU | 0 | 0.004 | 0.017 | 43.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 180 | THR | 0 | -0.038 | -0.018 | 44.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 181 | LEU | 0 | 0.015 | 0.006 | 47.524 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 182 | SER | 0 | 0.049 | 0.022 | 50.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 183 | LYS | 1 | 0.885 | 0.944 | 53.239 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 184 | ALA | 0 | 0.048 | 0.020 | 55.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 185 | ASP | -1 | -0.817 | -0.911 | 55.062 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 186 | TYR | 0 | 0.050 | 0.017 | 54.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 187 | GLU | -1 | -0.893 | -0.975 | 56.450 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 188 | LYS | 1 | 0.837 | 0.924 | 58.391 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 189 | HIS | 1 | 0.861 | 0.958 | 57.209 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | L | 190 | LYS | 1 | 0.888 | 0.946 | 60.417 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | L | 191 | VAL | 0 | -0.013 | -0.012 | 58.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | 192 | TYR | 0 | -0.009 | -0.011 | 53.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 193 | ALA | 0 | 0.019 | -0.011 | 54.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 195 | GLU | -1 | -0.842 | -0.912 | 50.378 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 196 | VAL | 0 | 0.041 | 0.012 | 45.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 197 | THR | 0 | -0.033 | -0.015 | 46.902 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 198 | HIS | 0 | 0.050 | 0.009 | 40.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 199 | GLN | 0 | 0.042 | 0.023 | 42.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 200 | GLY | 0 | -0.005 | -0.012 | 44.838 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 201 | LEU | 0 | -0.078 | -0.031 | 46.236 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 202 | SER | 0 | 0.013 | 0.008 | 49.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 203 | SER | 0 | -0.007 | -0.004 | 52.530 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 204 | PRO | 0 | -0.009 | -0.011 | 50.968 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 205 | VAL | 0 | 0.028 | 0.035 | 49.651 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 206 | THR | 0 | 0.021 | -0.003 | 51.283 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 207 | LYS | 1 | 0.879 | 0.962 | 50.755 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 208 | SER | 0 | 0.015 | -0.005 | 52.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 209 | PHE | 0 | 0.002 | 0.004 | 52.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 210 | ASN | 0 | 0.025 | 0.007 | 57.355 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 211 | ARG | 1 | 0.867 | 0.954 | 58.564 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | E | 333 | THR | 0 | 0.002 | -0.013 | 62.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | E | 334 | ASN | 0 | -0.029 | -0.008 | 57.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | E | 335 | LEU | 0 | 0.059 | 0.029 | 57.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | E | 361 | CYS | 0 | -0.070 | -0.013 | 52.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | E | 337 | PRO | 0 | 0.037 | 0.030 | 49.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | E | 338 | PHE | 0 | 0.008 | -0.021 | 48.893 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | E | 339 | GLY | 0 | 0.039 | 0.023 | 48.478 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | E | 340 | GLU | -1 | -0.844 | -0.903 | 47.465 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | E | 341 | VAL | 0 | -0.021 | -0.009 | 43.196 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | E | 342 | PHE | 0 | 0.001 | -0.018 | 44.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | E | 343 | ASN | 0 | -0.285 | -0.233 | 45.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | E | 344 | ALA | 0 | 0.026 | 0.036 | 43.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | E | 345 | THR | 0 | -0.006 | -0.009 | 43.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | E | 346 | ARG | 1 | 0.937 | 0.961 | 38.126 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | E | 347 | PHE | 0 | 0.040 | 0.026 | 37.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | E | 348 | ALA | 0 | 0.008 | 0.016 | 34.746 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | E | 349 | SER | 0 | 0.026 | 0.004 | 29.627 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | E | 350 | VAL | 0 | -0.006 | 0.007 | 27.951 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | E | 351 | TYR | 0 | 0.019 | 0.007 | 26.478 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | E | 352 | ALA | 0 | -0.054 | -0.026 | 28.351 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | E | 353 | TRP | 0 | -0.034 | 0.005 | 31.314 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | E | 354 | ASN | 0 | 0.050 | 0.026 | 34.136 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | E | 355 | ARG | 1 | 0.821 | 0.907 | 37.832 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | E | 356 | LYS | 1 | 0.816 | 0.903 | 40.137 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | E | 357 | ARG | 1 | 0.863 | 0.912 | 43.895 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | E | 358 | ILE | 0 | -0.019 | -0.012 | 46.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | E | 359 | SER | 0 | 0.023 | -0.003 | 49.320 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | E | 360 | ASN | 0 | -0.012 | -0.013 | 52.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | E | 362 | VAL | 0 | 0.044 | 0.032 | 56.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | E | 363 | ALA | 0 | -0.010 | -0.017 | 53.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | E | 364 | ASP | -1 | -0.767 | -0.869 | 55.442 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | E | 365 | TYR | 0 | 0.048 | -0.008 | 50.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | E | 366 | SER | 0 | -0.007 | 0.000 | 52.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | E | 367 | VAL | 0 | -0.001 | -0.006 | 55.064 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | E | 368 | LEU | 0 | -0.040 | -0.003 | 48.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | E | 369 | TYR | 0 | -0.032 | -0.017 | 48.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | E | 370 | ASN | 0 | -0.038 | -0.028 | 51.030 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | E | 371 | SER | 0 | -0.079 | -0.030 | 51.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | E | 372 | ALA | 0 | 0.011 | -0.009 | 48.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | E | 373 | SER | 0 | -0.002 | 0.011 | 47.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | E | 374 | PHE | 0 | -0.030 | -0.017 | 44.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | E | 375 | SER | 0 | 0.012 | 0.002 | 40.343 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | E | 376 | THR | 0 | -0.073 | -0.035 | 39.240 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | E | 377 | PHE | 0 | 0.085 | 0.034 | 42.378 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | E | 378 | LYS | 1 | 0.885 | 0.967 | 41.310 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | E | 432 | CYS | 0 | -0.097 | -0.032 | 43.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | E | 380 | TYR | 0 | 0.041 | 0.002 | 38.919 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | E | 381 | GLY | 0 | 0.055 | 0.036 | 44.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | E | 382 | VAL | 0 | 0.006 | 0.002 | 47.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | E | 383 | SER | 0 | 0.010 | -0.004 | 48.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | E | 384 | PRO | 0 | 0.050 | 0.010 | 49.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | E | 385 | THR | 0 | 0.005 | 0.000 | 51.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | E | 386 | LYS | 1 | 0.867 | 0.913 | 54.795 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | E | 387 | LEU | 0 | -0.024 | -0.003 | 50.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | E | 388 | ASN | 0 | 0.009 | -0.014 | 54.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | E | 389 | ASP | -1 | -0.826 | -0.888 | 57.208 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | E | 390 | LEU | 0 | -0.062 | -0.021 | 53.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | E | 525 | CYS | 0 | -0.026 | -0.009 | 54.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | E | 392 | PHE | 0 | 0.036 | 0.001 | 50.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | E | 393 | THR | 0 | 0.002 | 0.014 | 51.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | E | 394 | ASN | 0 | -0.015 | -0.010 | 48.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | E | 395 | VAL | 0 | 0.014 | 0.013 | 46.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | E | 396 | TYR | 0 | -0.068 | -0.060 | 42.431 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | E | 397 | ALA | 0 | 0.030 | 0.014 | 43.081 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | E | 398 | ASP | -1 | -0.738 | -0.836 | 37.400 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | E | 399 | SER | 0 | -0.008 | -0.009 | 38.337 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | E | 400 | PHE | 0 | -0.017 | -0.012 | 33.326 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | E | 401 | VAL | 0 | -0.002 | 0.006 | 32.998 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | E | 402 | ILE | 0 | -0.020 | 0.004 | 29.893 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | E | 403 | ARG | 1 | 0.827 | 0.884 | 25.141 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | E | 404 | GLY | 0 | 0.051 | 0.025 | 31.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | E | 405 | ASP | -1 | -0.920 | -0.948 | 29.592 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | E | 406 | GLU | -1 | -0.786 | -0.892 | 26.015 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | E | 407 | VAL | 0 | 0.018 | 0.011 | 30.181 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | E | 408 | ARG | 1 | 0.863 | 0.926 | 30.375 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | E | 409 | GLN | 0 | 0.052 | 0.024 | 26.373 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | E | 410 | ILE | 0 | -0.046 | -0.005 | 31.110 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | E | 411 | ALA | 0 | 0.023 | -0.012 | 33.799 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | E | 412 | PRO | 0 | 0.031 | 0.030 | 34.136 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | E | 413 | GLY | 0 | 0.020 | 0.007 | 33.482 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | E | 414 | GLN | 0 | -0.127 | -0.039 | 30.913 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | E | 415 | THR | 0 | 0.013 | 0.002 | 25.584 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | E | 416 | GLY | 0 | 0.012 | 0.004 | 23.972 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | E | 417 | LYS | 1 | 0.890 | 0.945 | 18.654 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | E | 418 | ILE | 0 | -0.030 | 0.000 | 23.017 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | E | 419 | ALA | 0 | 0.036 | 0.023 | 26.524 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | E | 420 | ASP | -1 | -0.799 | -0.879 | 23.354 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | E | 421 | TYR | 0 | -0.009 | -0.016 | 18.107 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | E | 422 | ASN | 0 | -0.047 | -0.025 | 23.836 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | E | 423 | TYR | 0 | 0.003 | -0.048 | 27.045 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | E | 424 | LYS | 1 | 0.915 | 0.989 | 29.163 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | E | 425 | LEU | 0 | -0.005 | 0.010 | 31.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | E | 426 | PRO | 0 | -0.004 | -0.005 | 33.849 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | E | 427 | ASP | -1 | -0.868 | -0.965 | 33.846 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | E | 428 | ASP | -1 | -0.920 | -0.952 | 36.716 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | E | 429 | PHE | 0 | -0.070 | -0.027 | 38.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | E | 430 | THR | 0 | -0.001 | 0.001 | 40.640 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | E | 431 | GLY | 0 | 0.020 | -0.002 | 43.849 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | E | 433 | VAL | 0 | 0.028 | 0.018 | 37.720 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | E | 434 | ILE | 0 | -0.021 | 0.000 | 41.049 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | E | 435 | ALA | 0 | 0.015 | 0.006 | 38.320 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | E | 436 | TRP | 0 | 0.009 | 0.002 | 40.243 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | E | 437 | ASN | 0 | -0.007 | 0.004 | 38.703 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | E | 438 | SER | 0 | 0.021 | -0.018 | 38.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | E | 439 | ASN | 0 | 0.027 | 0.025 | 37.098 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | E | 440 | ASN | 0 | -0.003 | -0.016 | 38.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | E | 441 | LEU | 0 | 0.008 | 0.022 | 41.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | E | 442 | ASP | -1 | -0.749 | -0.811 | 35.966 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | E | 443 | SER | 0 | 0.005 | -0.004 | 35.233 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | E | 444 | LYS | 1 | 0.841 | 0.919 | 35.146 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | E | 445 | VAL | 0 | 0.038 | 0.013 | 35.147 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | E | 446 | GLY | 0 | 0.016 | 0.007 | 33.621 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | E | 447 | GLY | 0 | 0.029 | 0.027 | 30.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | E | 448 | ASN | 0 | -0.091 | -0.061 | 31.882 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | E | 449 | TYR | 0 | 0.041 | 0.012 | 26.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | E | 450 | ASN | 0 | -0.020 | -0.014 | 28.520 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | E | 451 | TYR | 0 | -0.074 | -0.045 | 30.514 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | E | 452 | LEU | 0 | 0.003 | -0.001 | 25.637 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | E | 453 | TYR | 0 | 0.007 | -0.008 | 21.317 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | E | 454 | ARG | 1 | 0.807 | 0.881 | 21.111 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | E | 455 | LEU | 0 | -0.020 | 0.011 | 16.114 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | E | 456 | PHE | 0 | -0.006 | 0.000 | 12.972 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | E | 457 | ARG | 1 | 0.782 | 0.853 | 17.281 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | E | 458 | LYS | 1 | 0.893 | 0.951 | 13.038 | -0.603 | -0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | E | 459 | SER | 0 | 0.003 | 0.006 | 18.257 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | E | 460 | ASN | 0 | 0.035 | 0.005 | 21.523 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | E | 461 | LEU | 0 | -0.090 | -0.013 | 24.296 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | E | 462 | LYS | 1 | 0.943 | 0.968 | 27.350 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | E | 463 | PRO | 0 | 0.025 | -0.009 | 30.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | E | 464 | PHE | 0 | -0.026 | -0.009 | 33.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | E | 465 | GLU | -1 | -0.818 | -0.886 | 28.020 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | E | 466 | ARG | 1 | 0.836 | 0.915 | 30.567 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | E | 467 | ASP | -1 | -0.779 | -0.866 | 24.466 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | E | 468 | ILE | 0 | 0.028 | 0.004 | 26.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | E | 469 | SER | 0 | 0.020 | 0.025 | 22.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | E | 470 | THR | 0 | 0.004 | -0.005 | 22.633 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | E | 471 | GLU | -1 | -0.953 | -0.965 | 18.572 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | E | 472 | ILE | 0 | -0.027 | -0.015 | 14.286 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | E | 473 | TYR | 0 | -0.036 | -0.037 | 12.603 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | E | 474 | GLN | 0 | 0.023 | -0.004 | 10.704 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | E | 475 | ALA | 0 | 0.002 | 0.000 | 8.775 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | E | 476 | GLY | 0 | 0.040 | 0.012 | 6.387 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | E | 477 | SER | 0 | -0.001 | -0.008 | 6.715 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | E | 478 | THR | 0 | -0.043 | -0.012 | 7.848 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | E | 479 | PRO | 0 | 0.032 | 0.011 | 9.591 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | E | 488 | CYS | 0 | 0.024 | 0.030 | 7.538 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | E | 481 | ASN | 0 | -0.060 | -0.027 | 13.546 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | E | 482 | GLY | 0 | 0.026 | 0.025 | 16.977 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | E | 483 | VAL | 0 | -0.026 | -0.004 | 14.251 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | E | 484 | GLU | -1 | -0.837 | -0.926 | 13.832 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | E | 485 | GLY | 0 | 0.001 | -0.015 | 10.593 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | E | 486 | PHE | 0 | -0.016 | -0.007 | 2.553 | -1.609 | -0.647 | 1.611 | -0.645 | -1.929 | -0.004 |
578 | E | 487 | ASN | 0 | -0.046 | -0.032 | 3.661 | -0.489 | -0.312 | 0.002 | -0.032 | -0.147 | 0.000 |
579 | E | 489 | TYR | 0 | 0.101 | 0.060 | 7.844 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | E | 490 | PHE | 0 | 0.064 | 0.021 | 13.718 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | E | 491 | PRO | 0 | -0.045 | -0.012 | 17.543 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | E | 492 | LEU | 0 | -0.029 | -0.010 | 18.755 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | E | 493 | GLN | 0 | 0.014 | 0.009 | 18.154 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | E | 494 | SER | 0 | 0.024 | 0.007 | 21.916 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | E | 495 | TYR | 0 | -0.058 | -0.052 | 24.534 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | E | 496 | GLY | 0 | 0.010 | 0.007 | 26.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | E | 497 | PHE | 0 | -0.023 | -0.011 | 27.901 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | E | 498 | GLN | 0 | 0.011 | -0.005 | 30.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | E | 499 | PRO | 0 | -0.005 | -0.004 | 33.724 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | E | 500 | THR | 0 | 0.015 | 0.007 | 34.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | E | 501 | ASN | 0 | 0.000 | 0.016 | 30.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | E | 502 | GLY | 0 | 0.074 | 0.032 | 32.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | E | 503 | VAL | 0 | 0.032 | 0.007 | 33.603 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | E | 504 | GLY | 0 | -0.002 | 0.004 | 32.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | E | 505 | TYR | 0 | 0.011 | -0.020 | 25.866 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | E | 506 | GLN | 0 | -0.016 | 0.000 | 30.899 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | E | 507 | PRO | 0 | 0.003 | 0.015 | 33.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | E | 508 | TYR | 0 | -0.003 | 0.001 | 34.563 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | E | 509 | ARG | 1 | 0.764 | 0.869 | 35.667 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | E | 510 | VAL | 0 | -0.004 | -0.009 | 35.129 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | E | 511 | VAL | 0 | 0.008 | -0.011 | 38.151 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | E | 512 | VAL | 0 | -0.028 | -0.001 | 37.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | E | 513 | LEU | 0 | -0.015 | -0.003 | 40.482 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | E | 514 | SER | 0 | 0.045 | 0.005 | 41.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | E | 515 | PHE | 0 | -0.014 | -0.004 | 43.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | E | 516 | GLU | -1 | -0.780 | -0.851 | 46.310 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | E | 517 | LEU | 0 | 0.000 | -0.005 | 47.807 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | E | 518 | LEU | 0 | -0.002 | -0.011 | 46.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | E | 519 | HIS | 0 | -0.022 | -0.007 | 50.868 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | E | 520 | ALA | 0 | 0.039 | 0.031 | 53.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | E | 521 | PRO | 0 | -0.004 | -0.006 | 55.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | E | 522 | ALA | 0 | 0.002 | -0.003 | 55.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | E | 523 | THR | 0 | -0.030 | -0.015 | 53.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | E | 524 | VAL | 0 | -0.013 | -0.002 | 51.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | E | 526 | GLY | 0 | 0.077 | 0.047 | 56.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | E | 527 | PRO | 0 | -0.099 | -0.041 | 57.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | E | 601 | NAG | 0 | 0.271 | 0.230 | 49.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |