FMODB ID: VQ3Z1
Calculation Name: 1F13-A-Xray372
Preferred Name: Coagulation factor XIII
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 1F13
Chain ID: A
ChEMBL ID: CHEMBL4530
UniProt ID: P00488
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 | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 724 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18027367.49932 |
---|---|
FMO2-HF: Nuclear repulsion | 17737132.584784 |
FMO2-HF: Total energy | -290234.914535 |
FMO2-MP2: Total energy | -291079.531552 |
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:5:ARG)
Summations of interaction energy for
fragment #1(A:5:ARG)
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. |
-31.43 | -29.647 | -0.01 | -0.971 | -0.802 | 0.001 |
Interaction energy analysis for fragmet #1(A:5:ARG)
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 | 7 | ALA | 0 | 0.051 | 0.020 | 3.730 | 0.954 | 2.737 | -0.010 | -0.971 | -0.802 | 0.001 |
4 | A | 8 | PHE | 0 | -0.015 | 0.010 | 6.499 | 2.757 | 2.757 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 9 | GLY | 0 | 0.096 | 0.056 | 9.270 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 10 | GLY | 0 | -0.025 | -0.028 | 11.778 | 1.325 | 1.325 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 11 | ARG | 1 | 0.929 | 0.969 | 13.699 | 15.207 | 15.207 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 12 | ARG | 1 | 0.842 | 0.893 | 16.413 | 14.563 | 14.563 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 13 | ALA | 0 | 0.024 | 0.024 | 17.310 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 14 | VAL | 0 | 0.041 | 0.031 | 18.443 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 15 | PRO | 0 | 0.026 | 0.033 | 17.982 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 16 | PRO | 0 | -0.024 | -0.009 | 20.313 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 17 | ASN | 0 | 0.026 | 0.013 | 23.619 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 18 | ASN | 0 | -0.055 | -0.039 | 25.036 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 19 | SER | 0 | -0.010 | -0.001 | 27.353 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 20 | ASN | 0 | -0.028 | -0.060 | 29.121 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 21 | ALA | 0 | 0.002 | 0.009 | 30.607 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 22 | ALA | 0 | -0.039 | -0.003 | 26.161 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 23 | GLU | -1 | -0.796 | -0.884 | 27.954 | -8.980 | -8.980 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 24 | ASP | -1 | -0.875 | -0.939 | 26.418 | -10.997 | -10.997 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 25 | ASP | -1 | -0.918 | -0.955 | 27.199 | -10.146 | -10.146 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 26 | LEU | 0 | -0.029 | -0.010 | 28.677 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 27 | PRO | 0 | 0.012 | 0.014 | 28.961 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 28 | THR | 0 | 0.028 | 0.016 | 31.702 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 29 | VAL | 0 | -0.037 | -0.017 | 33.740 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 30 | GLU | -1 | -0.864 | -0.912 | 29.645 | -10.524 | -10.524 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 31 | LEU | 0 | -0.017 | -0.009 | 31.621 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 32 | GLN | 0 | 0.012 | -0.001 | 26.393 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 33 | GLY | 0 | -0.007 | 0.017 | 30.202 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 34 | VAL | 0 | -0.046 | -0.037 | 31.909 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 35 | VAL | 0 | 0.020 | 0.021 | 34.475 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 36 | PRO | 0 | 0.033 | 0.028 | 37.572 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 37 | ARG | 1 | 0.916 | 0.931 | 35.171 | 8.652 | 8.652 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 38 | GLY | 0 | 0.038 | 0.005 | 38.216 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 39 | VAL | 0 | 0.018 | 0.036 | 40.606 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 40 | ASN | 0 | -0.004 | -0.006 | 42.305 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 41 | LEU | 0 | 0.041 | 0.006 | 38.383 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 42 | GLN | 0 | -0.009 | -0.008 | 42.714 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 43 | GLU | -1 | -0.822 | -0.877 | 45.615 | -6.481 | -6.481 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 44 | PHE | 0 | 0.010 | 0.006 | 42.300 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 45 | LEU | 0 | -0.036 | -0.004 | 45.641 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 46 | ASN | 0 | 0.004 | -0.001 | 43.747 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 47 | VAL | 0 | 0.000 | 0.000 | 44.212 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 48 | THR | 0 | -0.074 | -0.047 | 45.633 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 49 | SER | 0 | -0.028 | -0.030 | 48.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 50 | VAL | 0 | 0.005 | -0.006 | 45.198 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 51 | HIS | 0 | -0.028 | -0.005 | 48.385 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 52 | LEU | 0 | 0.007 | -0.015 | 45.042 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 53 | PHE | 0 | -0.011 | -0.002 | 49.735 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 54 | LYS | 1 | 0.875 | 0.926 | 48.767 | 6.189 | 6.189 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 55 | GLU | -1 | -0.814 | -0.890 | 51.717 | -5.990 | -5.990 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 56 | ARG | 1 | 0.762 | 0.838 | 52.934 | 5.694 | 5.694 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 57 | TRP | 0 | -0.023 | -0.001 | 55.522 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 58 | ASP | -1 | -0.863 | -0.933 | 55.375 | -5.481 | -5.481 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 59 | THR | 0 | -0.046 | -0.043 | 56.686 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 60 | ASN | 0 | 0.007 | 0.007 | 51.959 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 61 | LYS | 1 | 0.848 | 0.927 | 49.458 | 6.065 | 6.065 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 62 | VAL | 0 | 0.016 | 0.016 | 53.907 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 63 | ASP | -1 | -0.855 | -0.913 | 55.848 | -5.405 | -5.405 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 64 | HIS | 0 | -0.034 | -0.019 | 50.220 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 65 | HIS | 1 | 0.896 | 0.966 | 52.653 | 5.385 | 5.385 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 66 | THR | 0 | -0.021 | -0.047 | 49.460 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 67 | ASP | -1 | -0.864 | -0.938 | 51.864 | -5.565 | -5.565 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 68 | LYS | 1 | 0.843 | 0.913 | 54.059 | 5.318 | 5.318 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 69 | TYR | 0 | -0.058 | -0.025 | 47.684 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 70 | GLU | -1 | -0.805 | -0.873 | 50.238 | -5.626 | -5.626 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 71 | ASN | 0 | -0.032 | -0.030 | 44.095 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 72 | ASN | 0 | 0.018 | 0.011 | 46.499 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 73 | LYS | 1 | 0.843 | 0.920 | 42.622 | 6.904 | 6.904 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 74 | LEU | 0 | -0.004 | 0.005 | 45.859 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 75 | ILE | 0 | -0.001 | -0.003 | 45.377 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 76 | VAL | 0 | -0.017 | 0.014 | 45.821 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 77 | ARG | 1 | 0.852 | 0.926 | 46.594 | 6.029 | 6.029 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 78 | ARG | 1 | 0.743 | 0.831 | 42.271 | 7.096 | 7.096 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 79 | GLY | 0 | 0.019 | -0.011 | 46.576 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 80 | GLN | 0 | 0.001 | 0.016 | 48.837 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 81 | SER | 0 | -0.014 | -0.021 | 49.823 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 82 | PHE | 0 | 0.019 | 0.027 | 45.533 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 83 | TYR | 0 | 0.002 | -0.004 | 51.262 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 84 | VAL | 0 | 0.015 | 0.012 | 47.743 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 85 | GLN | 0 | -0.019 | -0.017 | 50.896 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 86 | ILE | 0 | -0.018 | 0.002 | 46.520 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 87 | ASP | -1 | -0.698 | -0.775 | 49.931 | -5.892 | -5.892 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 88 | PHE | 0 | -0.002 | -0.016 | 46.226 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 89 | SER | 0 | 0.053 | 0.024 | 48.662 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 90 | ARG | 1 | 0.690 | 0.811 | 48.580 | 6.534 | 6.534 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 91 | PRO | 0 | 0.073 | 0.030 | 52.462 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 92 | TYR | 0 | -0.022 | -0.012 | 48.557 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 93 | ASP | -1 | -0.761 | -0.905 | 52.176 | -5.697 | -5.697 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 94 | PRO | 0 | -0.015 | -0.017 | 51.922 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 95 | ARG | 1 | 0.787 | 0.894 | 52.817 | 5.795 | 5.795 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 96 | ARG | 1 | 0.809 | 0.890 | 48.881 | 6.349 | 6.349 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 97 | ASP | -1 | -0.718 | -0.795 | 47.473 | -6.568 | -6.568 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 98 | LEU | 0 | 0.011 | 0.012 | 42.381 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 99 | PHE | 0 | -0.011 | -0.011 | 42.948 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 100 | ARG | 1 | 0.888 | 0.959 | 38.558 | 8.013 | 8.013 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 101 | VAL | 0 | 0.016 | 0.019 | 42.021 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 102 | GLU | -1 | -0.794 | -0.855 | 35.567 | -8.914 | -8.914 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 103 | TYR | 0 | 0.024 | 0.008 | 38.328 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 104 | VAL | 0 | -0.020 | -0.021 | 31.950 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 105 | ILE | 0 | -0.020 | 0.008 | 32.958 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 106 | GLY | 0 | 0.085 | 0.040 | 29.377 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 107 | ARG | 1 | 0.911 | 0.960 | 22.140 | 11.941 | 11.941 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 108 | TYR | 0 | -0.027 | -0.037 | 19.811 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 109 | PRO | 0 | 0.027 | 0.019 | 25.525 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 110 | GLN | 0 | 0.013 | -0.006 | 24.976 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 111 | GLU | -1 | -0.843 | -0.917 | 29.923 | -8.798 | -8.798 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 112 | ASN | 0 | -0.039 | -0.019 | 28.978 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 113 | LYS | 1 | 0.849 | 0.918 | 27.954 | 10.894 | 10.894 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 114 | GLY | 0 | 0.051 | 0.034 | 32.409 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 115 | THR | 0 | 0.020 | 0.011 | 30.784 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 116 | TYR | 0 | -0.053 | -0.052 | 32.157 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 117 | ILE | 0 | 0.027 | 0.012 | 34.019 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 118 | PRO | 0 | 0.015 | 0.025 | 36.301 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 119 | VAL | 0 | -0.005 | -0.001 | 38.653 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 120 | PRO | 0 | -0.007 | 0.005 | 42.316 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 121 | ILE | 0 | 0.040 | 0.015 | 44.128 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 122 | VAL | 0 | -0.068 | -0.031 | 47.436 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 123 | SER | 0 | -0.002 | -0.006 | 50.003 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 124 | GLU | -1 | -0.770 | -0.881 | 53.105 | -5.473 | -5.473 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 125 | LEU | 0 | -0.011 | 0.014 | 50.958 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 126 | GLN | 0 | 0.005 | -0.003 | 49.592 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 127 | SER | 0 | 0.088 | 0.048 | 50.345 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 128 | GLY | 0 | 0.021 | 0.010 | 48.148 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 129 | LYS | 1 | 0.852 | 0.925 | 45.460 | 6.505 | 6.505 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 130 | TRP | 0 | 0.057 | 0.034 | 41.447 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 131 | GLY | 0 | -0.026 | -0.017 | 45.158 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 132 | ALA | 0 | 0.003 | 0.005 | 46.946 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 133 | LYS | 1 | 0.847 | 0.922 | 48.803 | 5.590 | 5.590 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 134 | ILE | 0 | 0.004 | -0.008 | 50.997 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 135 | VAL | 0 | -0.034 | -0.021 | 53.801 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 136 | MET | 0 | 0.046 | 0.044 | 56.542 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 137 | ARG | 1 | 0.824 | 0.919 | 54.586 | 5.538 | 5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 138 | GLU | -1 | -0.834 | -0.895 | 57.441 | -5.193 | -5.193 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 139 | ASP | -1 | -0.847 | -0.928 | 57.828 | -5.330 | -5.330 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 140 | ARG | 1 | 0.835 | 0.909 | 54.350 | 5.685 | 5.685 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 141 | SER | 0 | -0.001 | -0.027 | 53.331 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 142 | VAL | 0 | -0.062 | -0.032 | 51.543 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 143 | ARG | 1 | 0.815 | 0.871 | 52.717 | 5.423 | 5.423 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 144 | LEU | 0 | -0.022 | -0.020 | 48.656 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 145 | SER | 0 | 0.028 | 0.010 | 52.654 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 146 | ILE | 0 | -0.003 | -0.009 | 45.994 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 147 | GLN | 0 | -0.033 | -0.028 | 48.914 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 148 | SER | 0 | 0.055 | 0.019 | 44.865 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 149 | SER | 0 | -0.002 | -0.013 | 43.160 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 150 | PRO | 0 | 0.030 | 0.012 | 44.783 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 151 | LYS | 1 | 0.855 | 0.931 | 42.736 | 6.776 | 6.776 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 152 | CYS | 0 | -0.089 | -0.019 | 40.350 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 153 | ILE | 0 | -0.006 | 0.006 | 34.144 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 154 | VAL | 0 | 0.001 | 0.021 | 38.442 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 155 | GLY | 0 | 0.014 | -0.005 | 37.390 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 156 | LYS | 1 | 0.830 | 0.923 | 37.217 | 7.868 | 7.868 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 157 | PHE | 0 | 0.000 | -0.004 | 36.399 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 158 | ARG | 1 | 0.840 | 0.915 | 30.484 | 9.849 | 9.849 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 159 | MET | 0 | -0.021 | -0.007 | 37.047 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 160 | TYR | 0 | 0.012 | 0.012 | 33.109 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 161 | VAL | 0 | -0.007 | -0.009 | 39.206 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 162 | ALA | 0 | 0.038 | 0.022 | 37.942 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 163 | VAL | 0 | -0.028 | -0.020 | 39.921 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 164 | TRP | 0 | -0.020 | -0.020 | 35.553 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 165 | THR | 0 | -0.027 | -0.020 | 38.457 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 166 | PRO | 0 | -0.016 | -0.017 | 38.818 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 167 | TYR | 0 | 0.014 | 0.006 | 36.376 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 168 | GLY | 0 | 0.029 | 0.020 | 34.598 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 169 | VAL | 0 | -0.011 | 0.007 | 34.790 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 170 | LEU | 0 | 0.004 | 0.005 | 35.891 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 171 | ARG | 1 | 0.715 | 0.804 | 32.742 | 9.439 | 9.439 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 172 | THR | 0 | 0.017 | 0.014 | 38.317 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 173 | SER | 0 | 0.046 | 0.008 | 36.406 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 174 | ARG | 1 | 0.742 | 0.827 | 33.747 | 8.722 | 8.722 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 175 | ASN | 0 | 0.025 | -0.005 | 36.354 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 176 | PRO | 0 | 0.064 | 0.022 | 37.440 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 177 | GLU | -1 | -0.865 | -0.912 | 39.738 | -6.724 | -6.724 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 178 | THR | 0 | -0.036 | -0.013 | 41.249 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 179 | ASP | -1 | -0.794 | -0.868 | 38.036 | -8.086 | -8.086 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 180 | THR | 0 | -0.029 | -0.029 | 40.662 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 181 | TYR | 0 | -0.089 | -0.079 | 41.092 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 182 | ILE | 0 | -0.020 | -0.009 | 41.175 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 183 | LEU | 0 | 0.003 | 0.002 | 42.105 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 184 | PHE | 0 | 0.014 | -0.002 | 41.616 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 185 | ASN | 0 | -0.024 | -0.038 | 46.275 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 186 | PRO | 0 | 0.026 | 0.013 | 49.760 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 187 | TRP | 0 | -0.005 | -0.022 | 52.492 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 188 | CYS | 0 | -0.068 | -0.010 | 50.966 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 189 | GLU | -1 | -0.822 | -0.892 | 52.360 | -5.509 | -5.509 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 190 | ASP | -1 | -0.876 | -0.930 | 49.733 | -6.211 | -6.211 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 191 | ASP | -1 | -0.793 | -0.884 | 47.367 | -6.849 | -6.849 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 192 | ALA | 0 | -0.024 | -0.006 | 45.997 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 193 | VAL | 0 | 0.012 | -0.009 | 46.852 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 194 | TYR | 0 | -0.074 | -0.044 | 49.659 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 195 | LEU | 0 | 0.033 | 0.035 | 53.001 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 196 | ASP | -1 | -0.848 | -0.930 | 56.264 | -5.179 | -5.179 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 197 | ASN | 0 | 0.009 | 0.007 | 59.614 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 198 | GLU | -1 | -0.780 | -0.879 | 59.927 | -5.324 | -5.324 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 199 | LYS | 1 | 0.939 | 0.964 | 60.774 | 4.582 | 4.582 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 200 | GLU | -1 | -0.818 | -0.896 | 58.847 | -5.184 | -5.184 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 201 | ARG | 1 | 0.802 | 0.899 | 56.255 | 5.312 | 5.312 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 202 | GLU | -1 | -0.821 | -0.919 | 56.449 | -5.306 | -5.306 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 203 | GLU | -1 | -0.786 | -0.871 | 57.743 | -5.132 | -5.132 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 204 | TYR | 0 | -0.034 | -0.058 | 54.631 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 205 | VAL | 0 | -0.007 | -0.003 | 51.171 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 206 | LEU | 0 | -0.058 | -0.023 | 53.055 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 207 | ASN | 0 | 0.005 | 0.015 | 55.588 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 208 | ASP | -1 | -0.803 | -0.858 | 54.375 | -5.476 | -5.476 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 209 | ILE | 0 | -0.009 | -0.008 | 55.396 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 210 | GLY | 0 | 0.034 | 0.016 | 57.171 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 211 | VAL | 0 | -0.025 | -0.008 | 58.084 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 212 | ILE | 0 | -0.030 | -0.012 | 54.741 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 213 | PHE | 0 | 0.037 | 0.018 | 58.886 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 214 | TYR | 0 | 0.039 | 0.011 | 59.693 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 215 | GLY | 0 | 0.002 | 0.012 | 61.350 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 216 | GLU | -1 | -0.834 | -0.941 | 63.108 | -4.557 | -4.557 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 217 | VAL | 0 | 0.030 | 0.020 | 65.262 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 218 | ASN | 0 | -0.071 | -0.041 | 67.035 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 219 | ASP | -1 | -0.850 | -0.903 | 69.074 | -4.269 | -4.269 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 220 | ILE | 0 | -0.002 | 0.007 | 65.134 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 221 | LYS | 1 | 0.801 | 0.909 | 64.423 | 4.468 | 4.468 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 222 | THR | 0 | 0.034 | 0.012 | 63.335 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 223 | ARG | 1 | 0.769 | 0.889 | 55.647 | 5.326 | 5.326 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 224 | SER | 0 | 0.012 | -0.019 | 60.362 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 225 | TRP | 0 | -0.067 | -0.047 | 50.288 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 226 | SER | 0 | -0.018 | -0.006 | 54.587 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 227 | TYR | 0 | 0.006 | 0.007 | 51.796 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 228 | GLY | 0 | 0.065 | 0.032 | 50.613 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 229 | GLN | 0 | -0.020 | -0.030 | 48.648 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 230 | PHE | 0 | -0.003 | 0.002 | 48.689 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 231 | GLU | -1 | -0.783 | -0.882 | 50.241 | -5.621 | -5.621 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 232 | ASP | -1 | -0.799 | -0.895 | 47.026 | -6.456 | -6.456 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 233 | GLY | 0 | 0.027 | 0.024 | 43.759 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 234 | ILE | 0 | 0.000 | 0.013 | 42.906 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 235 | LEU | 0 | 0.059 | 0.021 | 42.695 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 236 | ASP | -1 | -0.785 | -0.867 | 39.220 | -7.499 | -7.499 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 237 | THR | 0 | -0.021 | -0.015 | 38.414 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 238 | CYS | 0 | -0.020 | -0.004 | 38.897 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 239 | LEU | 0 | -0.041 | -0.025 | 36.478 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 240 | TYR | 0 | -0.046 | -0.042 | 32.479 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 241 | VAL | 0 | 0.044 | 0.028 | 34.225 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 242 | MET | 0 | -0.026 | -0.007 | 34.666 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 243 | ASP | -1 | -0.743 | -0.832 | 30.817 | -9.471 | -9.471 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 244 | ARG | 1 | 0.773 | 0.864 | 29.794 | 8.393 | 8.393 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 245 | ALA | 0 | 0.001 | 0.000 | 30.368 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 246 | GLN | 0 | -0.055 | -0.019 | 24.721 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 247 | MET | 0 | 0.012 | 0.027 | 28.316 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 248 | ASP | -1 | -0.849 | -0.936 | 28.807 | -9.586 | -9.586 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 249 | LEU | 0 | 0.032 | 0.007 | 29.903 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 250 | SER | 0 | -0.012 | -0.034 | 31.692 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 251 | GLY | 0 | -0.046 | -0.023 | 32.934 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 252 | ARG | 1 | 0.849 | 0.890 | 31.276 | 9.169 | 9.169 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 253 | GLY | 0 | 0.020 | 0.030 | 36.785 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 254 | ASN | 0 | -0.011 | -0.001 | 38.564 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 255 | PRO | 0 | 0.073 | 0.040 | 40.185 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 256 | ILE | 0 | 0.064 | 0.040 | 41.738 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 257 | LYS | 1 | 0.828 | 0.919 | 31.923 | 9.072 | 9.072 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 258 | VAL | 0 | 0.031 | 0.005 | 38.139 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 259 | SER | 0 | 0.006 | 0.000 | 39.383 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 260 | ARG | 1 | 0.770 | 0.853 | 37.995 | 7.448 | 7.448 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 261 | VAL | 0 | -0.028 | -0.012 | 34.243 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 262 | GLY | 0 | 0.025 | 0.006 | 36.964 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 263 | SER | 0 | -0.007 | -0.025 | 39.267 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 264 | ALA | 0 | -0.011 | -0.008 | 36.716 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 265 | MET | 0 | -0.007 | 0.013 | 33.328 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 266 | VAL | 0 | -0.033 | 0.006 | 37.547 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 267 | ASN | 0 | 0.036 | 0.014 | 40.788 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 268 | ALA | 0 | -0.013 | -0.005 | 37.765 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 269 | LYS | 1 | 0.809 | 0.895 | 34.918 | 7.763 | 7.763 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 270 | ASP | -1 | -0.919 | -0.956 | 32.963 | -8.475 | -8.475 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 271 | ASP | -1 | -0.942 | -0.963 | 31.457 | -8.333 | -8.333 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 272 | GLU | -1 | -0.830 | -0.919 | 30.412 | -8.955 | -8.955 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 273 | GLY | 0 | 0.005 | 0.010 | 33.611 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 274 | VAL | 0 | -0.071 | -0.043 | 36.578 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 275 | LEU | 0 | -0.005 | -0.003 | 39.748 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 276 | VAL | 0 | 0.020 | 0.020 | 39.995 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 277 | GLY | 0 | 0.010 | 0.004 | 42.314 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 278 | SER | 0 | -0.042 | -0.046 | 45.136 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 279 | TRP | 0 | 0.059 | 0.019 | 46.596 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 280 | ASP | -1 | -0.770 | -0.844 | 49.506 | -5.791 | -5.791 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 281 | ASN | 0 | -0.004 | -0.003 | 52.474 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 282 | ILE | 0 | -0.033 | -0.012 | 52.571 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 283 | TYR | 0 | -0.045 | -0.057 | 49.802 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 284 | ALA | 0 | 0.038 | 0.026 | 48.879 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 285 | TYR | 0 | -0.043 | -0.030 | 45.147 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 286 | GLY | 0 | 0.022 | 0.008 | 45.498 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 287 | VAL | 0 | -0.010 | 0.009 | 47.598 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 288 | PRO | 0 | 0.014 | 0.000 | 49.776 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 289 | PRO | 0 | 0.002 | 0.023 | 49.618 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 290 | SER | 0 | -0.004 | -0.028 | 51.774 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 291 | ALA | 0 | 0.002 | 0.023 | 53.964 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 292 | TRP | 0 | -0.006 | 0.016 | 47.244 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 293 | THR | 0 | -0.004 | -0.027 | 53.336 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 294 | GLY | 0 | 0.073 | 0.020 | 52.912 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 295 | SER | 0 | -0.043 | -0.016 | 47.874 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 296 | VAL | 0 | 0.001 | 0.010 | 47.476 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 297 | ASP | -1 | -0.801 | -0.894 | 47.478 | -6.002 | -6.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 298 | ILE | 0 | 0.025 | 0.023 | 44.320 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 299 | LEU | 0 | 0.011 | 0.000 | 42.572 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 300 | LEU | 0 | 0.007 | 0.002 | 42.264 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 301 | GLU | -1 | -0.904 | -0.926 | 42.634 | -6.740 | -6.740 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 302 | TYR | 0 | 0.020 | 0.020 | 35.000 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 303 | ARG | 1 | 0.752 | 0.855 | 33.990 | 7.844 | 7.844 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 304 | SER | 0 | -0.054 | -0.038 | 37.857 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 305 | SER | 0 | 0.007 | -0.008 | 38.369 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 306 | GLU | -1 | -0.822 | -0.852 | 32.391 | -8.834 | -8.834 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 307 | ASN | 0 | -0.021 | -0.019 | 34.177 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 308 | PRO | 0 | 0.002 | 0.016 | 35.437 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 309 | VAL | 0 | -0.011 | 0.010 | 38.607 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 310 | ARG | 1 | 0.935 | 0.973 | 39.339 | 6.970 | 6.970 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 311 | TYR | 0 | 0.013 | -0.006 | 44.227 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 312 | GLY | 0 | -0.020 | -0.004 | 46.413 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 313 | GLN | 0 | 0.020 | -0.011 | 47.718 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 314 | CYM | -1 | -0.765 | -0.700 | 49.618 | -5.718 | -5.718 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 315 | TRP | 0 | 0.043 | 0.013 | 50.494 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 316 | VAL | 0 | -0.071 | -0.014 | 48.151 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 317 | PHE | 0 | -0.027 | -0.024 | 44.562 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 318 | ALA | 0 | 0.066 | 0.041 | 46.981 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 319 | GLY | 0 | 0.046 | 0.010 | 49.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 320 | VAL | 0 | 0.007 | -0.002 | 44.083 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 321 | PHE | 0 | -0.009 | -0.010 | 42.388 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 322 | ASN | 0 | 0.026 | 0.004 | 45.940 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 323 | THR | 0 | -0.033 | -0.020 | 46.750 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 324 | PHE | 0 | -0.006 | -0.012 | 39.279 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 325 | LEU | 0 | -0.016 | -0.006 | 44.211 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 326 | ARG | 1 | 0.818 | 0.918 | 46.093 | 5.619 | 5.619 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 327 | CYS | 0 | -0.096 | -0.026 | 45.088 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 328 | LEU | 0 | 0.008 | 0.005 | 40.747 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 329 | GLY | 0 | 0.000 | -0.002 | 44.607 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 330 | ILE | 0 | -0.045 | -0.015 | 43.479 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 331 | PRO | 0 | -0.006 | 0.008 | 47.973 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 332 | ALA | 0 | 0.009 | 0.006 | 49.492 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 333 | ARG | 1 | 0.866 | 0.931 | 51.639 | 5.450 | 5.450 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 334 | ILE | 0 | 0.003 | 0.013 | 52.192 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 335 | VAL | 0 | -0.015 | 0.017 | 54.308 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 336 | THR | 0 | -0.037 | -0.031 | 55.554 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 337 | ASN | 0 | 0.037 | 0.027 | 57.192 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 338 | TYR | 0 | -0.026 | -0.042 | 58.940 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 339 | PHE | 0 | -0.040 | -0.027 | 61.526 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 340 | SER | 0 | 0.014 | -0.007 | 55.414 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 341 | ALA | 0 | -0.008 | 0.002 | 56.261 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 342 | HIS | 1 | 0.760 | 0.879 | 47.838 | 6.009 | 6.009 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 343 | ASP | -1 | -0.861 | -0.958 | 48.873 | -6.005 | -6.005 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 344 | ASN | 0 | 0.017 | 0.005 | 50.273 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 345 | ASP | -1 | -0.792 | -0.886 | 48.470 | -6.148 | -6.148 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 346 | ALA | 0 | -0.016 | -0.016 | 49.739 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 347 | ASN | 0 | -0.059 | -0.041 | 51.888 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 348 | LEU | 0 | 0.003 | 0.009 | 54.876 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 349 | GLN | 0 | -0.041 | -0.033 | 57.837 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 350 | MET | 0 | 0.035 | 0.025 | 56.609 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 351 | ASP | -1 | -0.841 | -0.919 | 59.920 | -4.971 | -4.971 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 352 | ILE | 0 | -0.059 | -0.032 | 61.859 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 353 | PHE | 0 | 0.028 | 0.005 | 60.437 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 354 | LEU | 0 | -0.035 | -0.018 | 65.606 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 355 | GLU | -1 | -0.823 | -0.907 | 69.245 | -4.491 | -4.491 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 356 | GLU | -1 | -0.800 | -0.890 | 71.394 | -4.166 | -4.166 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 357 | ASP | -1 | -0.887 | -0.921 | 74.209 | -4.074 | -4.074 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 358 | GLY | 0 | 0.049 | 0.031 | 74.374 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 359 | ASN | 0 | -0.002 | 0.004 | 72.422 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 360 | VAL | 0 | 0.064 | 0.035 | 66.809 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 361 | ASN | 0 | -0.001 | -0.009 | 65.285 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 362 | SER | 0 | 0.032 | 0.013 | 64.423 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 363 | LYS | 1 | 0.875 | 0.929 | 61.155 | 4.845 | 4.845 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 364 | LEU | 0 | -0.059 | -0.017 | 60.999 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 365 | THR | 0 | 0.062 | 0.046 | 60.400 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 366 | LYS | 1 | 0.777 | 0.870 | 56.448 | 5.116 | 5.116 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 367 | ASP | -1 | -0.855 | -0.901 | 55.317 | -5.489 | -5.489 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 368 | SER | 0 | -0.056 | -0.039 | 56.775 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 369 | VAL | 0 | 0.025 | 0.021 | 57.355 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 370 | TRP | 0 | -0.043 | -0.019 | 50.882 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 371 | ASN | 0 | 0.018 | 0.026 | 58.357 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 372 | TYR | 0 | -0.019 | -0.044 | 57.057 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 373 | HIS | 1 | 0.767 | 0.826 | 50.498 | 5.769 | 5.769 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 374 | CYS | 0 | 0.004 | -0.034 | 53.346 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 375 | TRP | 0 | -0.038 | -0.018 | 50.368 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 376 | ASN | 0 | -0.034 | -0.032 | 48.677 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 377 | GLU | -1 | -0.740 | -0.820 | 50.830 | -5.538 | -5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 378 | ALA | 0 | 0.012 | -0.006 | 47.887 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 379 | TRP | 0 | -0.014 | -0.009 | 49.865 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 380 | MET | 0 | -0.066 | -0.031 | 46.093 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 381 | THR | 0 | -0.016 | -0.012 | 48.667 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 382 | ARG | 1 | 0.728 | 0.807 | 44.932 | 6.575 | 6.575 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 383 | PRO | 0 | -0.016 | -0.006 | 44.559 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 384 | ASP | -1 | -0.811 | -0.863 | 43.094 | -7.047 | -7.047 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 385 | LEU | 0 | -0.019 | 0.002 | 44.873 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 386 | PRO | 0 | -0.007 | -0.001 | 48.346 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 387 | VAL | 0 | -0.002 | -0.015 | 51.736 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 388 | GLY | 0 | 0.025 | 0.015 | 54.270 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 389 | PHE | 0 | 0.031 | 0.023 | 51.741 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 390 | GLY | 0 | -0.025 | 0.005 | 51.335 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 391 | GLY | 0 | 0.038 | 0.014 | 52.079 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 392 | TRP | 0 | 0.015 | 0.004 | 51.937 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 393 | GLN | 0 | -0.022 | -0.014 | 48.042 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 394 | ALA | 0 | 0.059 | 0.044 | 49.986 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 395 | VAL | 0 | -0.030 | -0.044 | 44.506 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 396 | ASP | -1 | -0.713 | -0.835 | 46.651 | -6.079 | -6.079 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 397 | SER | 0 | 0.032 | 0.000 | 43.615 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 398 | THR | 0 | -0.098 | -0.059 | 43.657 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 399 | PRO | 0 | -0.052 | -0.023 | 41.911 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 400 | GLN | 0 | 0.073 | 0.025 | 44.138 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 401 | GLU | -1 | -0.849 | -0.946 | 42.141 | -7.237 | -7.237 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 402 | ASN | 0 | -0.020 | -0.004 | 41.676 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 403 | SER | 0 | -0.020 | -0.015 | 40.913 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 404 | ASP | -1 | -0.871 | -0.925 | 37.319 | -7.894 | -7.894 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 405 | GLY | 0 | 0.016 | 0.014 | 37.274 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 406 | MET | 0 | -0.030 | 0.011 | 39.641 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 407 | TYR | 0 | -0.061 | -0.022 | 34.469 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 408 | ARG | 1 | 0.809 | 0.906 | 37.331 | 7.749 | 7.749 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 409 | CYS | 0 | -0.014 | 0.007 | 42.431 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 410 | GLY | 0 | 0.041 | 0.033 | 44.691 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 411 | PRO | 0 | -0.077 | -0.049 | 42.541 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 412 | ALA | 0 | 0.038 | 0.031 | 45.730 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 413 | SER | 0 | -0.008 | -0.019 | 48.593 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 414 | VAL | 0 | 0.040 | 0.020 | 51.374 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 415 | GLN | 0 | 0.036 | 0.023 | 54.669 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 416 | ALA | 0 | -0.011 | -0.008 | 52.419 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 417 | ILE | 0 | -0.046 | -0.017 | 51.949 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 418 | LYS | 1 | 0.840 | 0.940 | 55.442 | 5.015 | 5.015 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 419 | HIS | 0 | -0.071 | -0.054 | 58.153 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 420 | GLY | 0 | 0.069 | 0.048 | 57.023 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 421 | HIS | 0 | 0.000 | 0.008 | 53.832 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 422 | VAL | 0 | -0.017 | -0.030 | 51.539 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 423 | CYS | 0 | -0.020 | 0.004 | 49.072 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 424 | PHE | 0 | -0.041 | -0.022 | 47.614 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 425 | GLN | 0 | -0.035 | -0.013 | 41.416 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 426 | PHE | 0 | -0.022 | -0.037 | 39.718 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 427 | ASP | -1 | -0.695 | -0.833 | 42.775 | -6.960 | -6.960 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 428 | ALA | 0 | 0.056 | 0.039 | 45.813 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 429 | PRO | 0 | 0.010 | 0.013 | 48.200 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 430 | PHE | 0 | 0.049 | 0.027 | 45.774 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 431 | VAL | 0 | -0.023 | -0.002 | 48.959 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 432 | PHE | 0 | 0.028 | 0.006 | 51.573 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 433 | ALA | 0 | 0.035 | 0.017 | 53.300 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 434 | GLU | -1 | -0.760 | -0.831 | 51.970 | -5.674 | -5.674 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 435 | VAL | 0 | -0.026 | -0.023 | 55.509 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 436 | ASN | 0 | -0.015 | 0.008 | 58.273 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 437 | SER | 0 | 0.033 | -0.006 | 57.447 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 438 | ASP | -1 | -0.820 | -0.910 | 60.201 | -4.863 | -4.863 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 439 | LEU | 0 | -0.046 | -0.009 | 62.306 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 440 | ILE | 0 | -0.007 | -0.004 | 62.950 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 441 | TYR | 0 | -0.015 | -0.024 | 65.348 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 442 | ILE | 0 | 0.011 | 0.002 | 63.767 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 443 | THR | 0 | -0.030 | -0.032 | 67.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 444 | ALA | 0 | 0.029 | 0.015 | 66.312 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 445 | LYS | 1 | 0.805 | 0.871 | 68.134 | 4.307 | 4.307 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 446 | LYS | 1 | 0.846 | 0.898 | 69.179 | 4.110 | 4.110 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 447 | ASP | -1 | -0.841 | -0.884 | 70.349 | -4.384 | -4.384 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 448 | GLY | 0 | -0.010 | -0.001 | 66.590 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 449 | THR | 0 | -0.103 | -0.063 | 65.703 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 450 | HIS | 0 | 0.047 | 0.010 | 63.390 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 451 | VAL | 0 | -0.021 | -0.010 | 67.496 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 452 | VAL | 0 | 0.032 | 0.017 | 66.748 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 453 | GLU | -1 | -0.813 | -0.875 | 69.419 | -4.126 | -4.126 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 454 | ASN | 0 | 0.006 | -0.015 | 70.690 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 455 | VAL | 0 | 0.001 | 0.001 | 66.678 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 456 | ASP | -1 | -0.815 | -0.870 | 67.748 | -4.389 | -4.389 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 457 | ALA | 0 | 0.029 | 0.006 | 65.608 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 458 | THR | 0 | -0.088 | -0.047 | 65.941 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 459 | HIS | 0 | -0.035 | -0.010 | 64.142 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 460 | ILE | 0 | -0.001 | -0.012 | 59.609 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 461 | GLY | 0 | 0.010 | 0.013 | 61.201 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 462 | LYS | 1 | 0.793 | 0.918 | 61.821 | 4.547 | 4.547 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 463 | LEU | 0 | -0.017 | -0.011 | 63.832 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 464 | ILE | 0 | -0.003 | 0.006 | 58.672 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 465 | VAL | 0 | -0.006 | 0.002 | 60.839 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 466 | THR | 0 | -0.013 | -0.027 | 57.890 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 467 | LYS | 1 | 0.821 | 0.915 | 59.848 | 5.069 | 5.069 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 468 | GLN | 0 | -0.029 | -0.002 | 61.576 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 469 | ILE | 0 | 0.016 | -0.005 | 62.042 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 470 | GLY | 0 | -0.055 | -0.031 | 63.669 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 471 | GLY | 0 | -0.034 | -0.019 | 65.183 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 472 | ASP | -1 | -0.839 | -0.931 | 63.844 | -4.863 | -4.863 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 473 | GLY | 0 | 0.005 | 0.017 | 65.558 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 474 | MET | 0 | -0.006 | -0.006 | 64.843 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 475 | MET | 0 | -0.047 | -0.023 | 63.473 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 476 | ASP | -1 | -0.805 | -0.885 | 63.622 | -4.784 | -4.784 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 477 | ILE | 0 | -0.013 | -0.010 | 58.686 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 478 | THR | 0 | 0.028 | -0.004 | 61.786 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 479 | ASP | -1 | -0.828 | -0.930 | 62.581 | -4.903 | -4.903 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 480 | THR | 0 | -0.118 | -0.064 | 59.621 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 481 | TYR | 0 | -0.005 | -0.043 | 54.430 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 482 | LYS | 1 | 0.859 | 0.932 | 59.268 | 4.863 | 4.863 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 483 | PHE | 0 | -0.018 | -0.011 | 62.215 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 484 | GLN | 0 | 0.002 | -0.001 | 65.581 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 485 | GLU | -1 | -0.787 | -0.908 | 67.950 | -4.537 | -4.537 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 486 | GLY | 0 | -0.042 | -0.025 | 69.666 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 487 | GLN | 0 | -0.123 | -0.053 | 69.294 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 488 | GLU | -1 | -0.794 | -0.883 | 69.207 | -4.567 | -4.567 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 489 | GLU | -1 | -0.872 | -0.944 | 66.093 | -4.600 | -4.600 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 490 | GLU | -1 | -0.900 | -0.937 | 64.674 | -4.785 | -4.785 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 491 | ARG | 1 | 0.790 | 0.864 | 64.272 | 4.568 | 4.568 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 492 | LEU | 0 | 0.022 | 0.005 | 63.429 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 493 | ALA | 0 | 0.007 | 0.021 | 60.747 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 494 | LEU | 0 | 0.015 | 0.002 | 59.815 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 495 | GLU | -1 | -0.865 | -0.923 | 60.012 | -4.899 | -4.899 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 496 | THR | 0 | -0.080 | -0.049 | 56.996 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 497 | ALA | 0 | 0.013 | 0.000 | 55.736 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 498 | LEU | 0 | -0.063 | -0.026 | 55.136 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 499 | MET | 0 | -0.078 | -0.026 | 55.766 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 500 | TYR | 0 | -0.067 | -0.049 | 51.923 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 501 | GLY | 0 | 0.006 | 0.007 | 50.693 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 502 | ALA | 0 | 0.000 | 0.011 | 51.750 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 503 | LYS | 1 | 0.779 | 0.886 | 50.024 | 6.128 | 6.128 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 504 | LYS | 1 | 0.803 | 0.880 | 55.759 | 5.066 | 5.066 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 505 | PRO | 0 | -0.016 | 0.004 | 55.803 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 506 | LEU | 0 | -0.004 | 0.015 | 58.502 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 507 | ASN | 0 | 0.030 | 0.012 | 62.246 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 508 | THR | 0 | 0.046 | 0.009 | 64.856 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 509 | GLU | -1 | -0.894 | -0.936 | 67.735 | -4.486 | -4.486 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 510 | GLY | 0 | 0.001 | -0.003 | 70.391 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 511 | VAL | 0 | -0.013 | -0.006 | 70.312 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 512 | MET | 0 | 0.005 | 0.013 | 72.511 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 513 | LYS | 1 | 0.760 | 0.893 | 74.614 | 4.217 | 4.217 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 514 | SER | 0 | 0.022 | 0.005 | 75.168 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 515 | ARG | 1 | 0.838 | 0.910 | 77.242 | 3.863 | 3.863 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 516 | SER | 0 | 0.048 | 0.028 | 78.108 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 517 | ASN | 0 | -0.045 | -0.020 | 80.985 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 518 | VAL | 0 | -0.072 | -0.031 | 82.903 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 519 | ASP | -1 | -0.837 | -0.904 | 80.593 | -3.874 | -3.874 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 520 | MET | 0 | -0.042 | -0.037 | 76.088 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 521 | ASP | -1 | -0.816 | -0.893 | 75.264 | -4.202 | -4.202 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 522 | PHE | 0 | -0.086 | -0.055 | 72.029 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 523 | GLU | -1 | -0.822 | -0.888 | 76.165 | -4.114 | -4.114 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 524 | VAL | 0 | 0.005 | -0.014 | 73.252 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 525 | GLU | -1 | -0.805 | -0.866 | 75.744 | -3.839 | -3.839 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 526 | ASN | 0 | -0.010 | -0.025 | 72.921 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 527 | ALA | 0 | -0.006 | 0.015 | 73.493 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 528 | VAL | 0 | -0.005 | -0.010 | 73.234 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 529 | LEU | 0 | 0.030 | 0.014 | 68.633 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 530 | GLY | 0 | 0.016 | -0.008 | 72.271 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 531 | LYS | 1 | 0.805 | 0.902 | 74.569 | 4.072 | 4.072 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 532 | ASP | -1 | -0.756 | -0.854 | 76.511 | -3.887 | -3.887 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 533 | PHE | 0 | -0.047 | -0.014 | 73.205 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 534 | LYS | 1 | 0.818 | 0.888 | 78.741 | 3.775 | 3.775 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 535 | LEU | 0 | 0.038 | 0.041 | 75.208 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 536 | SER | 0 | -0.029 | -0.029 | 78.531 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 537 | ILE | 0 | 0.060 | 0.033 | 78.511 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 538 | THR | 0 | -0.044 | -0.028 | 80.640 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 539 | PHE | 0 | 0.056 | 0.028 | 81.130 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 540 | ARG | 1 | 0.818 | 0.874 | 83.976 | 3.605 | 3.605 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 541 | ASN | 0 | 0.025 | 0.007 | 85.277 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 542 | ASN | 0 | -0.022 | -0.007 | 84.760 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 543 | SER | 0 | 0.031 | 0.009 | 88.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 544 | HIS | 0 | 0.022 | -0.002 | 90.141 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 545 | ASN | 0 | -0.002 | -0.001 | 89.376 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 546 | ARG | 1 | 0.852 | 0.924 | 91.907 | 3.317 | 3.317 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 547 | TYR | 0 | -0.024 | -0.017 | 87.065 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 548 | THR | 0 | -0.055 | -0.053 | 88.131 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 549 | ILE | 0 | -0.014 | -0.020 | 82.375 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 550 | THR | 0 | 0.020 | 0.015 | 80.982 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 551 | ALA | 0 | -0.024 | -0.015 | 79.345 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 552 | TYR | 0 | -0.029 | -0.030 | 75.524 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 553 | LEU | 0 | -0.027 | -0.011 | 74.103 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 554 | SER | 0 | -0.040 | -0.047 | 69.833 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 555 | ALA | 0 | 0.005 | 0.008 | 70.526 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 556 | ASN | 0 | -0.019 | -0.025 | 65.582 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 557 | ILE | 0 | -0.005 | 0.010 | 63.611 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 558 | THR | 0 | -0.015 | -0.018 | 61.239 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 559 | PHE | 0 | 0.018 | 0.013 | 54.753 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 560 | TYR | 0 | -0.064 | -0.110 | 53.193 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 561 | THR | 0 | 0.032 | 0.010 | 53.382 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 562 | GLY | 0 | 0.067 | 0.041 | 56.694 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 563 | VAL | 0 | -0.023 | -0.008 | 54.819 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 564 | PRO | 0 | 0.008 | 0.000 | 58.302 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 565 | LYS | 1 | 0.814 | 0.904 | 59.983 | 4.762 | 4.762 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 566 | ALA | 0 | -0.010 | -0.021 | 61.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 567 | GLU | -1 | -0.812 | -0.866 | 65.121 | -4.341 | -4.341 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 568 | PHE | 0 | -0.083 | -0.048 | 68.327 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 569 | LYS | 1 | 0.792 | 0.876 | 70.666 | 3.995 | 3.995 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 570 | LYS | 1 | 0.870 | 0.945 | 72.539 | 4.138 | 4.138 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 571 | GLU | -1 | -0.881 | -0.929 | 75.131 | -3.841 | -3.841 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 572 | THR | 0 | 0.002 | -0.016 | 77.893 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 573 | PHE | 0 | -0.026 | -0.019 | 79.078 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 574 | ASP | -1 | -0.841 | -0.892 | 83.484 | -3.707 | -3.707 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 575 | VAL | 0 | -0.017 | 0.008 | 84.682 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 576 | THR | 0 | -0.040 | -0.036 | 87.024 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 577 | LEU | 0 | -0.065 | -0.018 | 87.390 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 578 | GLU | -1 | -0.763 | -0.872 | 91.117 | -3.295 | -3.295 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 579 | PRO | 0 | 0.003 | 0.013 | 92.437 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 580 | LEU | 0 | -0.057 | -0.011 | 91.815 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 581 | SER | 0 | -0.012 | 0.008 | 92.104 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 582 | PHE | 0 | -0.017 | -0.031 | 87.013 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 583 | LYS | 1 | 0.845 | 0.918 | 87.582 | 3.570 | 3.570 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 584 | LYS | 1 | 0.876 | 0.935 | 83.895 | 3.653 | 3.653 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 585 | GLU | -1 | -0.776 | -0.863 | 83.400 | -3.550 | -3.550 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 586 | ALA | 0 | -0.076 | -0.051 | 83.204 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 587 | VAL | 0 | 0.029 | 0.029 | 79.190 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 588 | LEU | 0 | -0.038 | -0.013 | 80.504 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 589 | ILE | 0 | 0.027 | 0.020 | 74.569 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 590 | GLN | 0 | -0.057 | -0.051 | 78.002 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 591 | ALA | 0 | 0.009 | -0.010 | 75.404 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 592 | GLY | 0 | -0.049 | -0.036 | 74.418 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 593 | GLU | -1 | -0.756 | -0.849 | 74.567 | -4.000 | -4.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 594 | TYR | 0 | 0.024 | -0.011 | 70.244 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 595 | MET | 0 | -0.029 | 0.000 | 69.458 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 596 | GLY | 0 | -0.016 | 0.000 | 67.903 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 597 | GLN | 0 | -0.024 | -0.021 | 66.398 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 598 | LEU | 0 | -0.030 | 0.006 | 65.071 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 599 | LEU | 0 | 0.023 | 0.021 | 58.717 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 600 | GLU | -1 | -0.749 | -0.849 | 56.276 | -5.258 | -5.258 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 601 | GLN | 0 | -0.004 | 0.003 | 57.401 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 602 | ALA | 0 | -0.021 | -0.001 | 62.268 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 603 | SER | 0 | -0.001 | 0.003 | 62.550 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 604 | LEU | 0 | -0.024 | -0.012 | 64.595 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 605 | HIS | 0 | 0.046 | 0.026 | 65.058 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 606 | PHE | 0 | -0.012 | -0.014 | 67.172 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 607 | PHE | 0 | 0.054 | 0.022 | 64.604 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 608 | VAL | 0 | -0.002 | -0.012 | 70.700 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 609 | THR | 0 | -0.028 | -0.028 | 71.910 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 610 | ALA | 0 | 0.014 | -0.004 | 75.041 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 611 | ARG | 1 | 0.771 | 0.885 | 74.711 | 4.073 | 4.073 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 612 | ILE | 0 | -0.005 | -0.003 | 79.555 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 613 | ASN | 0 | -0.008 | -0.012 | 82.637 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 614 | GLU | -1 | -0.810 | -0.881 | 84.656 | -3.591 | -3.591 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 615 | THR | 0 | -0.045 | -0.067 | 82.182 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 616 | ARG | 1 | 0.820 | 0.917 | 80.086 | 3.788 | 3.788 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 617 | ASP | -1 | -0.757 | -0.836 | 78.238 | -4.013 | -4.013 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 618 | VAL | 0 | -0.006 | -0.007 | 73.908 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 619 | LEU | 0 | -0.015 | 0.007 | 75.488 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 620 | ALA | 0 | -0.016 | -0.020 | 71.480 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 621 | LYS | 1 | 0.894 | 0.950 | 71.553 | 4.267 | 4.267 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 622 | GLN | 0 | 0.028 | 0.013 | 64.612 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 623 | LYS | 1 | 0.868 | 0.940 | 68.997 | 4.153 | 4.153 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 624 | SER | 0 | 0.016 | -0.014 | 64.829 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 625 | THR | 0 | -0.030 | -0.018 | 67.708 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 626 | VAL | 0 | -0.003 | 0.013 | 64.283 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 627 | LEU | 0 | -0.016 | 0.002 | 67.437 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 628 | THR | 0 | 0.027 | 0.010 | 68.648 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 629 | ILE | 0 | -0.029 | -0.024 | 65.569 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 630 | PRO | 0 | -0.043 | -0.027 | 69.566 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 631 | GLU | -1 | -0.909 | -0.942 | 67.842 | -4.443 | -4.443 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 632 | ILE | 0 | -0.112 | -0.047 | 63.350 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 633 | ILE | 0 | 0.031 | 0.018 | 67.612 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 634 | ILE | 0 | 0.006 | 0.001 | 64.376 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 635 | LYS | 1 | 0.804 | 0.890 | 68.643 | 4.210 | 4.210 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 636 | VAL | 0 | 0.039 | 0.012 | 68.038 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 637 | ARG | 1 | 0.824 | 0.908 | 70.804 | 4.308 | 4.308 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 638 | GLY | 0 | 0.025 | 0.004 | 71.177 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 639 | THR | 0 | 0.005 | -0.007 | 70.263 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 640 | GLN | 0 | -0.019 | -0.004 | 68.852 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 641 | VAL | 0 | -0.012 | -0.002 | 68.261 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 642 | VAL | 0 | 0.031 | 0.030 | 63.134 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 643 | GLY | 0 | -0.032 | -0.011 | 63.100 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 644 | SER | 0 | -0.101 | -0.052 | 64.067 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 645 | ASP | -1 | -0.781 | -0.873 | 66.297 | -4.681 | -4.681 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 646 | MET | 0 | -0.023 | -0.015 | 65.219 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 647 | THR | 0 | -0.023 | 0.000 | 66.584 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 648 | VAL | 0 | 0.003 | 0.003 | 64.561 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 649 | THR | 0 | -0.032 | -0.028 | 67.157 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 650 | VAL | 0 | 0.045 | 0.030 | 63.662 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 651 | GLU | -1 | -0.809 | -0.885 | 67.094 | -4.132 | -4.132 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 652 | PHE | 0 | 0.045 | 0.013 | 67.115 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 653 | THR | 0 | 0.030 | 0.023 | 69.355 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 654 | ASN | 0 | 0.004 | 0.008 | 69.933 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 655 | PRO | 0 | 0.024 | 0.010 | 69.189 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 656 | LEU | 0 | 0.016 | 0.017 | 67.666 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 657 | LYS | 1 | 0.922 | 0.949 | 71.976 | 4.024 | 4.024 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 658 | GLU | -1 | -0.890 | -0.951 | 67.333 | -4.424 | -4.424 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 659 | THR | 0 | -0.036 | -0.027 | 67.710 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 660 | LEU | 0 | 0.039 | 0.050 | 65.387 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 661 | ARG | 1 | 0.907 | 0.923 | 61.116 | 4.813 | 4.813 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 662 | ASN | 0 | -0.013 | -0.030 | 58.289 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 663 | VAL | 0 | 0.021 | 0.015 | 59.321 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 664 | TRP | 0 | 0.026 | 0.019 | 54.164 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 665 | VAL | 0 | -0.022 | -0.011 | 58.968 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 666 | HIS | 0 | 0.004 | -0.005 | 52.863 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 667 | LEU | 0 | -0.004 | -0.011 | 57.832 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 668 | ASP | -1 | -0.776 | -0.864 | 54.857 | -5.595 | -5.595 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 669 | GLY | 0 | 0.091 | 0.028 | 57.163 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 670 | PRO | 0 | 0.029 | 0.043 | 54.666 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 671 | GLY | 0 | 0.025 | -0.004 | 56.029 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 672 | VAL | 0 | -0.062 | -0.042 | 57.776 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 673 | THR | 0 | 0.002 | -0.029 | 57.508 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 674 | ARG | 1 | 0.852 | 0.923 | 48.245 | 5.950 | 5.950 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 675 | PRO | 0 | -0.001 | 0.015 | 51.386 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 676 | MET | 0 | -0.019 | -0.007 | 53.441 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 677 | LYS | 1 | 0.843 | 0.896 | 49.956 | 5.888 | 5.888 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 678 | LYS | 1 | 0.843 | 0.936 | 56.700 | 4.877 | 4.877 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 679 | MET | 0 | -0.019 | 0.003 | 57.207 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 680 | PHE | 0 | 0.012 | 0.012 | 59.960 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 681 | ARG | 1 | 0.871 | 0.910 | 58.757 | 4.936 | 4.936 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 682 | GLU | -1 | -0.853 | -0.927 | 63.415 | -4.407 | -4.407 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 683 | ILE | 0 | 0.034 | 0.026 | 65.948 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 684 | ARG | 1 | 0.883 | 0.931 | 68.780 | 4.228 | 4.228 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 685 | PRO | 0 | -0.018 | 0.012 | 72.053 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 686 | ASN | 0 | -0.054 | -0.026 | 73.687 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 687 | SER | 0 | -0.027 | -0.001 | 72.591 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 688 | THR | 0 | 0.007 | -0.023 | 72.327 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 689 | VAL | 0 | -0.043 | -0.009 | 66.994 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 690 | GLN | 0 | -0.030 | -0.040 | 69.377 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 691 | TRP | 0 | -0.088 | -0.068 | 59.155 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 692 | GLU | -1 | -0.841 | -0.912 | 66.560 | -4.310 | -4.310 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 693 | GLU | -1 | -0.788 | -0.863 | 61.703 | -4.947 | -4.947 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 694 | VAL | 0 | -0.027 | -0.020 | 63.747 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 695 | CYS | 0 | -0.010 | 0.024 | 62.085 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 696 | ARG | 1 | 0.839 | 0.871 | 61.571 | 4.897 | 4.897 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 697 | PRO | 0 | 0.005 | 0.021 | 60.914 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 698 | TRP | 0 | -0.058 | -0.032 | 54.756 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 699 | VAL | 0 | -0.020 | 0.010 | 57.516 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 700 | SER | 0 | -0.045 | -0.020 | 60.493 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 701 | GLY | 0 | -0.014 | -0.010 | 63.383 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 702 | HIS | 0 | -0.052 | -0.030 | 65.515 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 703 | ARG | 1 | 0.750 | 0.834 | 57.950 | 5.043 | 5.043 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 704 | LYS | 1 | 0.872 | 0.937 | 62.202 | 4.839 | 4.839 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 705 | LEU | 0 | -0.036 | -0.003 | 61.508 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 706 | ILE | 0 | 0.008 | -0.007 | 58.308 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 707 | ALA | 0 | 0.013 | 0.006 | 60.380 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 708 | SER | 0 | -0.030 | -0.047 | 57.139 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 709 | MET | 0 | -0.001 | 0.010 | 60.377 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 710 | SER | 0 | 0.043 | -0.011 | 57.291 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 711 | SER | 0 | -0.049 | -0.030 | 59.630 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 712 | ASP | -1 | -0.769 | -0.873 | 59.076 | -5.063 | -5.063 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 713 | SER | 0 | -0.061 | -0.024 | 60.096 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 714 | LEU | 0 | 0.012 | 0.021 | 61.745 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 715 | ARG | 1 | 0.801 | 0.892 | 56.758 | 5.148 | 5.148 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 716 | HIS | 1 | 0.836 | 0.937 | 57.509 | 5.180 | 5.180 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 717 | VAL | 0 | 0.018 | 0.026 | 60.273 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 718 | TYR | 0 | 0.010 | -0.043 | 57.453 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 719 | GLY | 0 | 0.068 | 0.042 | 63.177 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 720 | GLU | -1 | -0.801 | -0.882 | 63.659 | -4.908 | -4.908 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 721 | LEU | 0 | 0.004 | 0.007 | 65.367 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 722 | ASP | -1 | -0.806 | -0.881 | 66.197 | -4.690 | -4.690 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 723 | VAL | 0 | -0.027 | -0.019 | 65.714 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 724 | GLN | 0 | 0.012 | -0.003 | 67.482 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 725 | ILE | 0 | -0.009 | 0.026 | 64.540 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 726 | GLN | 0 | 0.027 | -0.005 | 67.290 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 727 | ARG | 1 | 0.964 | 0.961 | 63.299 | 4.719 | 4.719 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 728 | ARG | 1 | 0.975 | 1.000 | 66.830 | 4.425 | 4.425 | 0.000 | 0.000 | 0.000 | 0.000 |