FMODB ID: K9V23
Calculation Name: 4PD3-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4PD3
Chain ID: A
UniProt ID: P05095
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 928 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -24458683.705142 |
---|---|
FMO2-HF: Nuclear repulsion | 24082478.488802 |
FMO2-HF: Total energy | -376205.21634 |
FMO2-MP2: Total energy | -377299.777381 |
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:8:GLU)
Summations of interaction energy for
fragment #1(A:8:GLU)
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. |
-70.059 | -61.119 | 8.159 | -8.347 | -8.751 | 0.058 |
Interaction energy analysis for fragmet #1(A:8:GLU)
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 | 10 | PRO | 0 | -0.041 | -0.020 | 3.750 | -4.634 | -2.263 | -0.016 | -1.179 | -1.175 | 0.001 |
4 | A | 11 | GLU | -1 | -0.891 | -0.972 | 4.042 | 24.936 | 25.599 | 0.001 | -0.162 | -0.502 | 0.000 |
5 | A | 12 | ARG | 1 | 0.861 | 0.929 | 2.025 | -51.575 | -50.293 | 4.868 | -2.860 | -3.290 | 0.000 |
6 | A | 13 | TYR | 0 | -0.084 | -0.039 | 2.051 | -25.713 | -21.220 | 3.307 | -4.138 | -3.662 | 0.057 |
7 | A | 14 | LEU | 0 | -0.042 | -0.016 | 7.003 | -2.949 | -2.949 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 15 | PHE | 0 | 0.072 | 0.031 | 9.329 | -1.744 | -1.744 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | VAL | 0 | 0.036 | 0.006 | 9.572 | 1.750 | 1.750 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | ASP | -1 | -0.920 | -0.959 | 11.088 | 21.183 | 21.183 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | ARG | 1 | 0.899 | 0.947 | 6.100 | -22.574 | -22.574 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | ALA | 0 | 0.010 | 0.029 | 5.859 | 4.338 | 4.338 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | VAL | 0 | -0.041 | -0.015 | 5.161 | 0.652 | 0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 21 | ILE | 0 | -0.007 | -0.001 | 7.222 | -2.347 | -2.347 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 32 | ALA | 0 | -0.015 | -0.019 | 28.488 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 33 | LYS | 1 | 0.989 | 0.975 | 29.122 | -10.575 | -10.575 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 34 | LYS | 1 | 0.955 | 1.008 | 32.142 | -8.870 | -8.870 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 35 | LEU | 0 | -0.008 | 0.001 | 28.553 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 36 | VAL | 0 | -0.048 | -0.029 | 31.751 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 37 | TRP | 0 | -0.007 | -0.004 | 24.815 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 38 | ILE | 0 | -0.010 | -0.003 | 31.666 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 39 | PRO | 0 | 0.048 | 0.014 | 32.517 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 40 | SER | 0 | -0.045 | -0.031 | 30.575 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 41 | GLU | -1 | -0.888 | -0.947 | 32.439 | 8.919 | 8.919 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 42 | ARG | 1 | 0.863 | 0.929 | 29.858 | -9.135 | -9.135 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 43 | HIS | 0 | 0.030 | 0.028 | 24.997 | 0.595 | 0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 44 | GLY | 0 | 0.030 | 0.018 | 26.297 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 45 | PHE | 0 | 0.012 | 0.004 | 27.196 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 46 | GLU | -1 | -0.876 | -0.943 | 27.123 | 10.596 | 10.596 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 47 | ALA | 0 | 0.001 | -0.011 | 28.195 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 48 | ALA | 0 | 0.007 | 0.000 | 30.066 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 49 | SER | 0 | 0.000 | -0.018 | 33.571 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 50 | ILE | 0 | 0.016 | -0.007 | 35.880 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 51 | LYS | 1 | 0.817 | 0.922 | 38.998 | -7.869 | -7.869 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 52 | GLU | -1 | -0.926 | -0.955 | 41.714 | 6.544 | 6.544 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 53 | GLU | -1 | -0.838 | -0.918 | 43.820 | 7.222 | 7.222 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 54 | ARG | 1 | 0.925 | 0.966 | 46.201 | -6.656 | -6.656 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 55 | GLY | 0 | -0.005 | -0.001 | 49.063 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 56 | ASP | -1 | -0.930 | -0.965 | 48.818 | 6.427 | 6.427 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 57 | GLU | -1 | -0.936 | -0.953 | 45.707 | 6.920 | 6.920 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 58 | VAL | 0 | -0.023 | -0.028 | 40.971 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 59 | MET | 0 | -0.043 | -0.011 | 41.988 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 60 | VAL | 0 | 0.026 | 0.020 | 37.349 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 61 | GLU | -1 | -0.939 | -1.004 | 36.728 | 8.031 | 8.031 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 62 | LEU | 0 | 0.009 | 0.027 | 32.354 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 63 | ALA | 0 | -0.043 | -0.019 | 29.305 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 64 | GLU | -1 | -0.969 | -0.988 | 25.235 | 11.585 | 11.585 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 65 | ASN | 0 | 0.005 | 0.013 | 28.145 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 66 | GLY | 0 | 0.027 | 0.027 | 30.673 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 67 | LYN | 0 | 0.006 | 0.020 | 33.831 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 68 | LYS | 1 | 0.914 | 0.933 | 36.203 | -7.615 | -7.615 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 69 | ALA | 0 | -0.021 | -0.009 | 37.833 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 70 | MET | 0 | 0.011 | 0.001 | 39.773 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 71 | VAL | 0 | -0.004 | 0.012 | 37.619 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 72 | ASN | 0 | 0.125 | 0.080 | 41.058 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 73 | LYS | 1 | 0.839 | 0.880 | 41.139 | -6.795 | -6.795 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 74 | ASP | -1 | -1.003 | -0.996 | 41.637 | 7.578 | 7.578 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 75 | ASP | -1 | -0.874 | -0.932 | 38.171 | 8.054 | 8.054 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 76 | ILE | 0 | -0.055 | -0.018 | 36.389 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 77 | GLN | 0 | -0.003 | -0.010 | 32.477 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 78 | LYS | 1 | 0.973 | 0.967 | 33.065 | -8.109 | -8.109 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 79 | MET | 0 | 0.051 | 0.031 | 25.575 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 80 | ASN | 0 | -0.023 | -0.010 | 26.078 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 81 | PRO | 0 | 0.048 | 0.023 | 26.747 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 82 | PRO | 0 | 0.039 | 0.002 | 22.914 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 83 | LYS | 1 | 0.912 | 0.968 | 21.854 | -11.424 | -11.424 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 84 | PHE | 0 | 0.022 | -0.003 | 22.192 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 85 | SER | 0 | -0.055 | -0.009 | 19.326 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 86 | LYS | 1 | 0.881 | 0.939 | 14.099 | -17.767 | -17.767 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 87 | VAL | 0 | 0.025 | 0.017 | 17.520 | 0.512 | 0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 88 | GLU | -1 | -0.857 | -0.960 | 15.860 | 17.304 | 17.304 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 89 | ASP | -1 | -0.777 | -0.910 | 19.246 | 11.930 | 11.930 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 90 | MET | 0 | -0.112 | -0.044 | 22.296 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 91 | ALA | 0 | -0.012 | -0.009 | 24.888 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 92 | GLU | -1 | -0.933 | -0.970 | 23.335 | 12.148 | 12.148 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 93 | LEU | 0 | -0.076 | -0.024 | 24.198 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 94 | THR | 0 | 0.061 | 0.056 | 27.542 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 95 | CYS | 0 | -0.118 | -0.057 | 29.700 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 96 | LEU | 0 | 0.048 | 0.035 | 29.372 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 97 | ASN | 0 | -0.016 | -0.006 | 30.205 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 98 | GLU | -1 | -0.757 | -0.888 | 29.459 | 9.924 | 9.924 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 99 | ALA | 0 | 0.041 | 0.039 | 28.189 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 100 | SER | 0 | -0.053 | -0.048 | 26.365 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 101 | VAL | 0 | -0.026 | -0.015 | 24.722 | 0.583 | 0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 102 | LEU | 0 | 0.028 | 0.014 | 23.686 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 103 | HIS | 0 | 0.011 | 0.002 | 21.318 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 104 | ASN | 0 | 0.014 | 0.015 | 20.018 | 0.756 | 0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 105 | LEU | 0 | 0.008 | -0.004 | 18.732 | 0.908 | 0.908 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 106 | LYS | 1 | 0.971 | 0.993 | 17.738 | -13.308 | -13.308 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 107 | ASP | -1 | -0.858 | -0.942 | 16.806 | 18.225 | 18.225 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 108 | ARG | 1 | 0.858 | 0.933 | 14.248 | -16.931 | -16.931 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 109 | TYR | 0 | -0.008 | 0.011 | 12.886 | 2.013 | 2.013 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 110 | TYR | 0 | -0.059 | -0.040 | 12.341 | 1.533 | 1.533 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 111 | SER | 0 | -0.024 | -0.012 | 10.506 | 1.171 | 1.171 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 112 | GLY | 0 | -0.028 | -0.011 | 8.247 | 2.843 | 2.843 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 113 | LEU | 0 | -0.037 | -0.012 | 9.314 | 0.740 | 0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 114 | ILE | 0 | 0.001 | -0.006 | 11.532 | -1.446 | -1.446 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 115 | TYR | 0 | 0.022 | 0.043 | 13.274 | -1.301 | -1.301 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 116 | THR | 0 | 0.020 | 0.011 | 15.858 | 0.628 | 0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 117 | TYR | 0 | 0.062 | 0.043 | 18.702 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 118 | SER | 0 | 0.020 | 0.017 | 22.060 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 119 | GLY | 0 | 0.074 | 0.041 | 25.207 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 120 | LEU | 0 | 0.032 | 0.016 | 26.754 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 121 | PHE | 0 | -0.052 | -0.015 | 25.833 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 122 | CYS | 0 | -0.041 | -0.011 | 20.685 | 0.623 | 0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 123 | VAL | 0 | -0.023 | -0.007 | 20.338 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 124 | VAL | 0 | 0.011 | -0.005 | 16.549 | 0.841 | 0.841 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 125 | ILE | 0 | 0.002 | 0.002 | 16.672 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 126 | ASN | 0 | 0.012 | 0.003 | 15.542 | 2.551 | 2.551 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 127 | PRO | 0 | 0.034 | 0.014 | 10.944 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 128 | TYR | 0 | -0.024 | -0.015 | 12.589 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 129 | LYS | 1 | 0.943 | 0.961 | 5.502 | -43.392 | -43.392 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 130 | ASN | 0 | -0.003 | 0.000 | 9.692 | -2.909 | -2.909 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 131 | LEU | 0 | 0.016 | 0.014 | 6.914 | 4.063 | 4.063 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 132 | PRO | 0 | 0.013 | 0.046 | 4.687 | -5.743 | -5.612 | -0.001 | -0.008 | -0.122 | 0.000 |
116 | A | 133 | ILE | 0 | 0.027 | -0.026 | 7.835 | -1.193 | -1.193 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 134 | TYR | 0 | -0.078 | -0.072 | 10.198 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 135 | SER | 0 | 0.076 | 0.035 | 11.706 | -1.049 | -1.049 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 136 | GLU | -1 | -0.864 | -0.948 | 14.333 | 15.344 | 15.344 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 137 | ASN | 0 | 0.010 | 0.003 | 12.746 | -1.571 | -1.571 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 138 | ILE | 0 | -0.023 | -0.001 | 10.348 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 139 | ILE | 0 | -0.021 | -0.013 | 14.630 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 140 | GLU | -1 | -0.857 | -0.952 | 17.996 | 12.575 | 12.575 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 141 | MET | 0 | -0.067 | -0.016 | 13.419 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 142 | TYR | 0 | -0.042 | -0.063 | 14.608 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 143 | ARG | 1 | 0.908 | 0.991 | 19.551 | -12.681 | -12.681 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 144 | GLY | 0 | -0.045 | -0.016 | 22.819 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 145 | LYS | 1 | 0.901 | 0.983 | 17.872 | -14.891 | -14.891 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 146 | LYS | 1 | 0.944 | 0.975 | 23.628 | -10.340 | -10.340 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 147 | ARG | 1 | 0.884 | 0.936 | 22.082 | -11.835 | -11.835 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 148 | HIS | 0 | 0.008 | -0.002 | 21.179 | 0.663 | 0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 149 | GLU | -1 | -0.910 | -0.952 | 20.733 | 12.204 | 12.204 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 150 | MET | 0 | -0.047 | -0.020 | 14.524 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 151 | PRO | 0 | 0.066 | 0.051 | 12.953 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 152 | PRO | 0 | -0.030 | -0.004 | 15.542 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 153 | HIS | 0 | 0.023 | 0.021 | 13.135 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 154 | ILE | 0 | -0.016 | -0.007 | 16.599 | -0.879 | -0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 155 | TYR | 0 | 0.010 | -0.006 | 15.774 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 156 | ALA | 0 | 0.048 | 0.045 | 19.413 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 157 | ILE | 0 | 0.016 | 0.011 | 21.244 | -0.627 | -0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 158 | SER | 0 | 0.000 | -0.010 | 22.208 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 159 | GLU | -1 | -0.766 | -0.796 | 22.958 | 11.319 | 11.319 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 160 | SER | 0 | -0.055 | -0.026 | 24.764 | -0.569 | -0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 161 | ALA | 0 | 0.028 | 0.017 | 27.017 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 162 | TYR | 0 | -0.041 | -0.066 | 27.735 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 163 | ARG | 1 | 0.829 | 0.877 | 26.533 | -11.165 | -11.165 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 164 | CYS | 0 | 0.026 | 0.013 | 30.345 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 165 | MET | 0 | -0.017 | 0.017 | 32.371 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 166 | LEU | 0 | -0.076 | -0.032 | 32.461 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 167 | GLN | 0 | -0.067 | -0.025 | 34.170 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 168 | ASP | -1 | -0.868 | -0.937 | 35.759 | 8.339 | 8.339 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 169 | ARG | 1 | 0.838 | 0.921 | 37.939 | -7.417 | -7.417 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 170 | GLU | -1 | -0.942 | -0.957 | 37.568 | 7.871 | 7.871 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 171 | ASP | -1 | -0.815 | -0.928 | 36.872 | 8.275 | 8.275 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 172 | GLN | 0 | 0.002 | 0.006 | 32.022 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 173 | SER | 0 | -0.032 | -0.017 | 32.583 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 174 | ILE | 0 | -0.004 | -0.002 | 26.076 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 175 | LEU | 0 | -0.009 | -0.016 | 29.501 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 176 | CYS | 0 | -0.010 | 0.005 | 26.056 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 177 | THR | 0 | 0.012 | -0.002 | 27.093 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 178 | GLY | 0 | 0.044 | 0.006 | 25.958 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 179 | GLU | -1 | -0.881 | -0.945 | 25.891 | 11.499 | 11.499 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 180 | SER | 0 | 0.045 | 0.006 | 25.709 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 181 | GLY | 0 | -0.030 | -0.009 | 23.522 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 182 | ALA | 0 | 0.013 | 0.004 | 21.408 | 0.663 | 0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 183 | GLY | 0 | -0.012 | 0.001 | 19.601 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 184 | LYS | 1 | 0.860 | 0.952 | 20.680 | -10.905 | -10.905 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 185 | THR | 0 | 0.051 | 0.026 | 23.398 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 186 | GLU | -1 | -0.939 | -0.970 | 18.379 | 16.118 | 16.118 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 187 | ASN | 0 | -0.015 | -0.024 | 18.820 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 188 | THR | 0 | 0.039 | 0.007 | 20.597 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 189 | LYS | 1 | 0.956 | 0.985 | 19.390 | -15.975 | -15.975 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 190 | LYS | 1 | 0.881 | 0.955 | 15.705 | -19.116 | -19.116 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 191 | VAL | 0 | 0.057 | 0.031 | 19.929 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 192 | ILE | 0 | -0.005 | -0.007 | 22.854 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 193 | GLN | 0 | -0.052 | -0.031 | 16.759 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 194 | TYR | 0 | -0.055 | -0.090 | 19.881 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 195 | LEU | 0 | 0.011 | -0.010 | 22.107 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 196 | ALA | 0 | -0.033 | -0.012 | 24.857 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 197 | HIS | 0 | -0.016 | 0.002 | 21.878 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 198 | VAL | 0 | -0.049 | -0.024 | 23.887 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 199 | ALA | 0 | -0.022 | 0.007 | 26.070 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 200 | SER | 0 | -0.020 | -0.005 | 28.136 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 215 | GLU | -1 | -0.838 | -0.926 | 29.127 | 10.073 | 10.073 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 216 | ARG | 1 | 0.953 | 0.961 | 26.635 | -10.801 | -10.801 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 217 | GLN | 0 | 0.041 | 0.020 | 28.281 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 218 | LEU | 0 | 0.048 | 0.014 | 29.389 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 219 | LEU | 0 | -0.077 | -0.044 | 23.786 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 220 | GLN | 0 | 0.000 | 0.003 | 27.669 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 221 | ALA | 0 | 0.071 | 0.033 | 30.271 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 222 | ASN | 0 | -0.037 | -0.026 | 26.551 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 223 | PRO | 0 | 0.076 | 0.047 | 28.698 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 224 | ILE | 0 | 0.013 | 0.014 | 30.791 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 225 | LEU | 0 | -0.023 | -0.030 | 33.308 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 226 | GLU | -1 | -0.990 | -0.974 | 28.466 | 11.026 | 11.026 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 227 | SER | 0 | 0.016 | 0.014 | 32.698 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 228 | PHE | 0 | 0.031 | -0.011 | 35.446 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 229 | GLY | 0 | 0.005 | 0.021 | 36.298 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 230 | ASN | 0 | 0.052 | 0.016 | 31.034 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 231 | ALA | 0 | -0.008 | -0.006 | 34.717 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 232 | LYS | 1 | 0.916 | 0.990 | 33.659 | -9.102 | -9.102 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 233 | THR | 0 | -0.061 | -0.039 | 33.431 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 234 | VAL | 0 | 0.019 | -0.005 | 34.785 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 235 | LYS | 1 | 0.928 | 0.977 | 31.221 | -9.486 | -9.486 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 236 | ASN | 0 | -0.013 | -0.001 | 27.736 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 237 | ASP | -1 | -0.791 | -0.901 | 29.404 | 10.029 | 10.029 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 238 | ASN | 0 | -0.022 | -0.028 | 28.482 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 239 | SER | 0 | 0.003 | 0.001 | 29.545 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 240 | SER | 0 | 0.015 | 0.010 | 31.367 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 241 | ARG | 1 | 0.794 | 0.897 | 33.151 | -8.727 | -8.727 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 242 | PHE | 0 | -0.038 | -0.014 | 33.637 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 243 | GLY | 0 | 0.022 | 0.016 | 34.930 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 244 | LYS | 1 | 0.921 | 0.946 | 29.396 | -10.813 | -10.813 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 245 | PHE | 0 | 0.028 | 0.019 | 32.911 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 246 | ILE | 0 | 0.005 | 0.003 | 29.281 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 247 | ARG | 1 | 0.910 | 0.975 | 32.362 | -7.938 | -7.938 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 248 | ILE | 0 | 0.017 | 0.009 | 29.556 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 249 | ASN | 0 | -0.016 | -0.020 | 32.981 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 250 | PHE | 0 | 0.049 | 0.004 | 29.736 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 251 | ASP | -1 | -0.726 | -0.857 | 35.640 | 8.255 | 8.255 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 252 | VAL | 0 | 0.006 | -0.005 | 37.742 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 253 | THR | 0 | -0.088 | -0.055 | 37.479 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 254 | GLY | 0 | 0.085 | 0.053 | 34.228 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 255 | TYR | 0 | -0.082 | -0.024 | 32.175 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 256 | ILE | 0 | 0.024 | 0.023 | 29.256 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 257 | VAL | 0 | -0.060 | -0.028 | 33.841 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 258 | GLY | 0 | 0.010 | -0.003 | 35.522 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 259 | ALA | 0 | 0.001 | 0.005 | 33.256 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 260 | ASN | 0 | -0.059 | -0.016 | 35.352 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 261 | ILE | 0 | 0.019 | -0.005 | 33.783 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 262 | GLU | -1 | -0.828 | -0.873 | 36.657 | 7.637 | 7.637 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 263 | THR | 0 | -0.029 | -0.015 | 37.052 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 264 | TYR | 0 | -0.076 | -0.093 | 38.147 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 265 | LEU | 0 | -0.027 | -0.005 | 39.125 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 266 | LEU | 0 | 0.037 | 0.036 | 40.006 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 267 | GLU | -1 | -0.798 | -0.884 | 40.373 | 7.676 | 7.676 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 268 | LYS | 1 | 0.913 | 0.958 | 42.414 | -6.472 | -6.472 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 269 | SER | 0 | -0.024 | -0.035 | 45.365 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 270 | ARG | 1 | 0.876 | 0.965 | 39.477 | -8.132 | -8.132 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 271 | ALA | 0 | -0.015 | 0.016 | 43.888 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 272 | VAL | 0 | -0.026 | -0.016 | 45.646 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 273 | ARG | 1 | 0.913 | 0.964 | 47.248 | -6.454 | -6.454 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 274 | GLN | 0 | -0.010 | -0.016 | 42.581 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 275 | ALA | 0 | 0.039 | 0.031 | 42.079 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 276 | LYS | 1 | 0.967 | 0.971 | 43.095 | -7.055 | -7.055 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 277 | ASP | -1 | -0.943 | -0.971 | 39.058 | 7.960 | 7.960 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 278 | GLU | -1 | -0.874 | -0.935 | 38.148 | 8.504 | 8.504 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 279 | ARG | 1 | 0.802 | 0.911 | 36.043 | -8.869 | -8.869 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 280 | THR | 0 | 0.040 | 0.005 | 39.588 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 281 | PHE | 0 | -0.044 | -0.034 | 38.029 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 282 | HIS | 0 | 0.092 | 0.040 | 32.289 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 283 | ILE | 0 | -0.011 | 0.007 | 37.351 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 284 | PHE | 0 | -0.013 | -0.008 | 39.587 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 285 | TYR | 0 | 0.024 | 0.010 | 39.058 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 286 | GLN | 0 | -0.033 | -0.005 | 35.104 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 287 | LEU | 0 | -0.002 | 0.009 | 39.471 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 288 | LEU | 0 | -0.010 | -0.002 | 42.880 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 289 | SER | 0 | -0.070 | -0.053 | 40.512 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 290 | GLY | 0 | 0.021 | 0.005 | 40.929 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 291 | ALA | 0 | -0.015 | 0.020 | 41.709 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 292 | GLY | 0 | 0.016 | 0.001 | 45.009 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 293 | GLU | -1 | -0.941 | -0.985 | 47.156 | 6.069 | 6.069 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 294 | HIS | 0 | 0.041 | 0.001 | 50.683 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 295 | LEU | 0 | 0.033 | 0.027 | 45.849 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 296 | LYS | 1 | 0.932 | 0.967 | 47.289 | -6.835 | -6.835 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 297 | SER | 0 | -0.005 | 0.007 | 51.144 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 298 | ASP | -1 | -0.922 | -0.952 | 52.583 | 5.931 | 5.931 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 299 | LEU | 0 | -0.080 | -0.045 | 48.024 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 300 | LEU | 0 | -0.017 | 0.012 | 52.345 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 301 | LEU | 0 | -0.036 | -0.009 | 47.470 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 302 | GLU | -1 | -0.897 | -0.949 | 51.076 | 5.769 | 5.769 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 303 | GLY | 0 | 0.026 | 0.007 | 49.613 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 304 | PHE | 0 | 0.032 | -0.011 | 43.094 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 305 | ASN | 0 | -0.012 | -0.013 | 47.966 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 306 | ASN | 0 | -0.056 | -0.021 | 50.694 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 307 | TYR | 0 | 0.027 | 0.032 | 49.414 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 308 | ARG | 1 | 0.890 | 0.958 | 50.925 | -5.753 | -5.753 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 309 | PHE | 0 | -0.051 | -0.028 | 49.112 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 310 | LEU | 0 | -0.034 | 0.009 | 44.890 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 311 | SER | 0 | 0.019 | 0.004 | 45.857 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 312 | ASN | 0 | -0.037 | -0.035 | 44.129 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 313 | GLY | 0 | 0.026 | 0.030 | 45.071 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 314 | TYR | 0 | -0.038 | -0.022 | 38.886 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 315 | ILE | 0 | -0.017 | 0.007 | 38.092 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 316 | PRO | 0 | 0.001 | 0.004 | 36.705 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 317 | ILE | 0 | 0.019 | -0.010 | 31.216 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 318 | PRO | 0 | -0.014 | 0.011 | 29.694 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 319 | GLY | 0 | -0.029 | -0.019 | 27.995 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 320 | GLN | 0 | -0.021 | -0.003 | 28.849 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 321 | GLN | 0 | -0.014 | -0.007 | 30.905 | -0.611 | -0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 322 | ASP | -1 | -0.775 | -0.901 | 34.182 | 8.816 | 8.816 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 323 | LYS | 1 | 0.877 | 0.913 | 36.553 | -7.903 | -7.903 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 324 | ASP | -1 | -0.881 | -0.946 | 33.493 | 9.193 | 9.193 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 325 | ASN | 0 | 0.041 | 0.022 | 30.830 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 326 | PHE | 0 | -0.017 | 0.034 | 34.160 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 327 | GLN | 0 | 0.005 | -0.008 | 36.403 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 328 | GLU | -1 | -0.879 | -0.931 | 29.136 | 10.910 | 10.910 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 329 | THR | 0 | -0.035 | -0.056 | 33.663 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 330 | MET | 0 | -0.071 | -0.033 | 35.445 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 331 | GLU | -1 | -0.898 | -0.947 | 34.406 | 9.384 | 9.384 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 332 | ALA | 0 | 0.014 | 0.009 | 32.681 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 333 | MET | 0 | -0.042 | -0.027 | 34.109 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 334 | HIS | 0 | 0.010 | 0.017 | 37.400 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 335 | ILE | 0 | -0.034 | -0.010 | 31.887 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 336 | MET | 0 | -0.078 | -0.026 | 34.845 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 337 | GLY | 0 | -0.004 | -0.002 | 36.762 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 338 | PHE | 0 | -0.099 | -0.047 | 39.890 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 339 | SER | 0 | 0.036 | 0.017 | 42.093 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 340 | HIS | 0 | 0.069 | 0.007 | 45.133 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 341 | GLU | -1 | -0.932 | -0.965 | 46.293 | 6.169 | 6.169 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 342 | GLU | -1 | -0.821 | -0.882 | 45.158 | 7.121 | 7.121 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 343 | ILE | 0 | 0.036 | 0.016 | 41.172 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 344 | LEU | 0 | 0.009 | 0.002 | 44.723 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 345 | SER | 0 | -0.027 | -0.042 | 47.673 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 346 | MET | 0 | -0.021 | 0.000 | 41.705 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 347 | LEU | 0 | -0.020 | -0.015 | 42.934 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 348 | LYS | 1 | 0.993 | 1.005 | 46.596 | -6.127 | -6.127 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 349 | VAL | 0 | 0.009 | 0.020 | 48.084 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 350 | VAL | 0 | -0.001 | 0.014 | 43.970 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 351 | SER | 0 | -0.026 | -0.030 | 47.128 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 352 | SER | 0 | -0.045 | -0.043 | 49.737 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 353 | VAL | 0 | -0.011 | -0.019 | 47.828 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 354 | LEU | 0 | -0.008 | -0.005 | 46.675 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 355 | GLN | 0 | -0.051 | -0.034 | 50.695 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 356 | PHE | 0 | 0.005 | 0.002 | 53.214 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 357 | GLY | 0 | -0.011 | 0.004 | 53.776 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 358 | ASN | 0 | 0.033 | 0.001 | 54.492 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 359 | ILE | 0 | -0.044 | -0.010 | 56.876 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 360 | SER | 0 | -0.017 | 0.002 | 59.984 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 361 | PHE | 0 | 0.024 | 0.006 | 60.872 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 362 | LYS | 1 | 0.911 | 0.938 | 64.788 | -4.678 | -4.678 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 363 | LYS | 1 | 0.890 | 0.964 | 67.526 | -4.559 | -4.559 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 364 | GLU | -1 | -0.930 | -0.957 | 69.997 | 4.461 | 4.461 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 365 | ARG | 1 | 1.043 | 1.029 | 73.662 | -4.118 | -4.118 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 366 | ASN | 0 | -0.105 | -0.077 | 76.772 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 367 | THR | 0 | 0.026 | 0.026 | 76.523 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 368 | ASP | -1 | -0.848 | -0.955 | 72.803 | 4.447 | 4.447 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 369 | GLN | 0 | -0.050 | -0.028 | 71.086 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 370 | ALA | 0 | -0.023 | 0.012 | 67.156 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 371 | SER | 0 | 0.015 | 0.007 | 68.614 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 372 | MET | 0 | 0.019 | 0.007 | 65.140 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 373 | PRO | 0 | -0.055 | -0.033 | 67.715 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 374 | GLU | -1 | -0.898 | -0.940 | 64.199 | 4.889 | 4.889 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 375 | ASN | 0 | -0.009 | -0.015 | 65.830 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 376 | THR | 0 | -0.006 | 0.014 | 62.634 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 377 | VAL | 0 | 0.060 | 0.027 | 59.029 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 378 | ALA | 0 | 0.030 | 0.008 | 60.376 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 379 | GLN | 0 | -0.020 | -0.017 | 61.756 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 380 | LYS | 1 | 0.995 | 0.991 | 57.571 | -5.567 | -5.567 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 381 | LEU | 0 | -0.007 | 0.010 | 55.972 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 382 | CYS | 0 | -0.080 | -0.041 | 58.036 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 383 | HIS | 0 | -0.006 | 0.021 | 58.077 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 384 | LEU | 0 | -0.057 | -0.020 | 53.186 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 385 | LEU | 0 | -0.027 | -0.011 | 53.956 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 386 | GLY | 0 | 0.046 | 0.028 | 57.036 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 387 | MET | 0 | -0.044 | -0.013 | 59.353 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 388 | ASN | 0 | 0.092 | 0.042 | 62.344 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 389 | VAL | 0 | 0.095 | 0.028 | 65.366 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 390 | MET | 0 | -0.042 | -0.021 | 66.295 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 391 | GLU | -1 | -0.973 | -0.994 | 67.334 | 4.751 | 4.751 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 392 | PHE | 0 | 0.072 | 0.022 | 60.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 393 | THR | 0 | -0.013 | -0.005 | 65.556 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 394 | ARG | 1 | 0.943 | 0.966 | 67.520 | -4.519 | -4.519 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 395 | ALA | 0 | -0.005 | 0.008 | 65.660 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 396 | ILE | 0 | -0.017 | -0.019 | 61.431 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 397 | LEU | 0 | -0.014 | -0.002 | 64.983 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 398 | THR | 0 | -0.104 | -0.052 | 67.998 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 399 | PRO | 0 | 0.018 | 0.042 | 66.057 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 400 | ARG | 1 | 0.907 | 0.947 | 68.239 | -4.526 | -4.526 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 401 | ILE | 0 | 0.022 | 0.018 | 66.313 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 402 | LYS | 1 | 0.990 | 0.994 | 67.721 | -4.794 | -4.794 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 403 | VAL | 0 | 0.031 | 0.022 | 66.444 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 404 | GLY | 0 | 0.069 | 0.044 | 69.767 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 405 | ARG | 1 | 0.866 | 0.913 | 71.764 | -4.316 | -4.316 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 406 | ASP | -1 | -0.802 | -0.882 | 71.248 | 4.502 | 4.502 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 407 | TYR | 0 | -0.024 | -0.009 | 72.652 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 408 | VAL | 0 | -0.055 | -0.054 | 73.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 409 | GLN | 0 | -0.036 | -0.008 | 72.583 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 410 | LYS | 1 | 0.904 | 0.954 | 68.175 | -4.727 | -4.727 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 411 | ALA | 0 | 0.005 | -0.007 | 70.753 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 412 | GLN | 0 | 0.005 | 0.006 | 63.808 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 413 | THR | 0 | 0.034 | 0.006 | 67.130 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 414 | LYS | 1 | 0.898 | 0.931 | 62.032 | -5.144 | -5.144 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 415 | GLU | -1 | -0.895 | -0.959 | 62.828 | 5.100 | 5.100 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 416 | GLN | 0 | -0.008 | -0.009 | 61.698 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 417 | ALA | 0 | 0.012 | 0.020 | 61.877 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 418 | ASP | -1 | -0.811 | -0.901 | 58.713 | 5.418 | 5.418 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 419 | PHE | 0 | 0.047 | 0.022 | 56.472 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 420 | ALA | 0 | -0.002 | -0.001 | 56.960 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 421 | VAL | 0 | -0.040 | -0.020 | 56.249 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 422 | GLU | -1 | -0.838 | -0.931 | 53.313 | 6.008 | 6.008 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 423 | ALA | 0 | 0.017 | 0.004 | 52.680 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 424 | LEU | 0 | 0.002 | 0.016 | 53.183 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 425 | ALA | 0 | 0.007 | 0.032 | 51.279 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 426 | LYS | 1 | 0.872 | 0.946 | 48.763 | -6.146 | -6.146 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 427 | ALA | 0 | -0.029 | -0.016 | 48.619 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 428 | THR | 0 | -0.011 | -0.035 | 49.921 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 429 | TYR | 0 | -0.003 | -0.024 | 40.684 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 430 | GLU | -1 | -0.884 | -0.949 | 45.206 | 7.006 | 7.006 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 431 | ARG | 1 | 0.763 | 0.847 | 45.671 | -5.995 | -5.995 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 432 | LEU | 0 | 0.005 | 0.003 | 44.417 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 433 | PHE | 0 | 0.023 | 0.013 | 37.261 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 434 | ARG | 1 | 0.933 | 0.968 | 42.016 | -6.412 | -6.412 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 435 | TRP | 0 | -0.007 | -0.001 | 43.998 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 436 | LEU | 0 | 0.024 | 0.012 | 38.601 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 437 | VAL | 0 | -0.020 | -0.003 | 38.583 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 438 | HIS | 0 | 0.003 | -0.007 | 40.160 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 439 | ARG | 1 | 0.783 | 0.896 | 42.102 | -7.540 | -7.540 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 440 | ILE | 0 | 0.047 | 0.014 | 35.755 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 441 | ASN | 0 | 0.017 | 0.015 | 38.503 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 442 | LYS | 1 | 0.891 | 0.951 | 39.828 | -6.953 | -6.953 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 443 | ALA | 0 | -0.057 | -0.012 | 38.574 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 444 | LEU | 0 | -0.033 | -0.001 | 34.509 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 445 | ASP | -1 | -0.883 | -0.931 | 35.830 | 8.567 | 8.567 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 446 | ARG | 1 | 0.848 | 0.922 | 37.033 | -7.740 | -7.740 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 447 | THR | 0 | 0.028 | 0.008 | 36.951 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 448 | LYS | 1 | 0.866 | 0.927 | 38.422 | -8.350 | -8.350 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 449 | ARG | 1 | 0.894 | 0.944 | 41.730 | -7.223 | -7.223 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 450 | GLN | 0 | 0.012 | -0.015 | 41.138 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 451 | GLY | 0 | 0.047 | 0.032 | 42.335 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 452 | ALA | 0 | -0.023 | -0.012 | 38.999 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 453 | SER | 0 | 0.005 | 0.033 | 37.879 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 454 | PHE | 0 | -0.062 | -0.042 | 35.516 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 455 | ILE | 0 | 0.071 | 0.036 | 29.654 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 456 | GLY | 0 | -0.056 | -0.028 | 32.038 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 457 | ILE | 0 | -0.005 | -0.002 | 26.690 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 458 | LEU | 0 | 0.001 | -0.004 | 30.338 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 459 | ASP | -1 | -0.902 | -0.948 | 27.822 | 11.590 | 11.590 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 460 | ILE | 0 | 0.055 | 0.011 | 30.500 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 461 | ALA | 0 | 0.003 | 0.011 | 31.039 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 462 | GLY | 0 | 0.025 | -0.004 | 30.977 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 463 | PHE | 0 | -0.012 | -0.007 | 31.953 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 464 | GLU | -1 | -0.882 | -0.941 | 33.482 | 9.172 | 9.172 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 465 | ILE | 0 | 0.005 | 0.007 | 35.160 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 466 | PHE | 0 | -0.097 | -0.088 | 34.818 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 467 | GLU | -1 | -0.909 | -0.954 | 38.364 | 7.817 | 7.817 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 468 | LEU | 0 | -0.064 | -0.036 | 40.789 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 469 | ASN | 0 | 0.031 | 0.030 | 40.269 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 470 | SER | 0 | 0.045 | 0.039 | 42.753 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 471 | PHE | 0 | 0.042 | 0.002 | 44.586 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 472 | GLU | -1 | -0.807 | -0.923 | 41.921 | 7.171 | 7.171 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 473 | GLN | 0 | 0.040 | 0.010 | 39.209 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 474 | LEU | 0 | 0.032 | 0.034 | 41.245 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 475 | CYS | 0 | -0.060 | -0.028 | 43.136 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 476 | ILE | 0 | 0.011 | 0.007 | 36.334 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 477 | ASN | 0 | 0.029 | 0.000 | 38.393 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 478 | TYR | 0 | -0.055 | -0.072 | 39.951 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 479 | THR | 0 | -0.047 | -0.026 | 38.470 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 480 | ASN | 0 | -0.012 | -0.012 | 35.244 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 481 | GLU | -1 | -0.782 | -0.881 | 37.407 | 7.913 | 7.913 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 482 | LYS | 1 | 0.886 | 0.931 | 39.969 | -6.999 | -6.999 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 483 | LEU | 0 | -0.023 | -0.002 | 34.665 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 484 | GLN | 0 | 0.011 | 0.014 | 33.543 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 485 | GLN | 0 | -0.045 | -0.025 | 36.397 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 486 | LEU | 0 | -0.001 | 0.004 | 36.200 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 487 | PHE | 0 | -0.017 | 0.025 | 30.271 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 488 | ASN | 0 | -0.012 | -0.016 | 35.174 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 489 | HIS | 0 | -0.016 | -0.015 | 37.523 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 490 | THR | 0 | 0.021 | -0.026 | 34.044 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 491 | MET | 0 | -0.051 | -0.025 | 33.229 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 492 | PHE | 0 | -0.040 | -0.013 | 35.546 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 493 | ILE | 0 | 0.014 | 0.006 | 38.756 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 494 | LEU | 0 | 0.030 | 0.002 | 32.445 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 495 | GLU | -1 | -0.900 | -0.956 | 34.708 | 8.827 | 8.827 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 496 | GLN | 0 | -0.041 | -0.012 | 36.876 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 497 | GLU | -1 | -0.885 | -0.936 | 36.646 | 8.103 | 8.103 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 498 | GLU | -1 | -0.941 | -0.962 | 34.232 | 9.007 | 9.007 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 499 | TYR | 0 | -0.015 | -0.032 | 37.318 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 500 | GLN | 0 | 0.022 | 0.018 | 39.976 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 501 | ARG | 1 | 0.847 | 0.921 | 33.914 | -8.724 | -8.724 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 502 | GLU | -1 | -0.876 | -0.915 | 35.732 | 8.394 | 8.394 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 503 | GLY | 0 | 0.039 | 0.010 | 39.444 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 504 | ILE | 0 | -0.076 | -0.034 | 39.349 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 505 | GLU | -1 | -0.935 | -0.965 | 43.170 | 6.278 | 6.278 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 506 | TRP | 0 | -0.066 | -0.044 | 41.033 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 507 | ASN | 0 | -0.003 | 0.003 | 45.000 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 508 | PHE | 0 | -0.016 | -0.005 | 40.882 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 509 | ILE | 0 | -0.006 | 0.001 | 45.212 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 510 | ASP | -1 | -0.768 | -0.884 | 42.800 | 7.496 | 7.496 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 511 | PHE | 0 | 0.081 | 0.028 | 39.050 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 512 | GLY | 0 | -0.004 | -0.005 | 41.337 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 513 | LEU | 0 | -0.022 | -0.028 | 42.174 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 514 | ASP | -1 | -0.915 | -0.958 | 42.305 | 7.185 | 7.185 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 515 | LEU | 0 | -0.021 | -0.015 | 39.573 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 516 | GLN | 0 | -0.032 | -0.016 | 43.751 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 517 | PRO | 0 | -0.008 | 0.005 | 46.898 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 518 | CYS | 0 | -0.013 | -0.010 | 43.628 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 519 | ILE | 0 | 0.019 | 0.010 | 43.340 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 520 | ASP | -1 | -0.881 | -0.928 | 47.028 | 6.220 | 6.220 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 521 | LEU | 0 | -0.065 | -0.013 | 48.746 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 522 | ILE | 0 | -0.014 | -0.006 | 45.477 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 523 | GLU | -1 | -0.861 | -0.901 | 48.252 | 6.548 | 6.548 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 524 | ARG | 1 | 0.999 | 0.978 | 50.640 | -5.798 | -5.798 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 525 | PRO | 0 | -0.080 | -0.025 | 54.098 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 526 | ALA | 0 | 0.069 | 0.005 | 57.303 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 527 | ASN | 0 | -0.115 | -0.041 | 56.927 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 528 | PRO | 0 | 0.057 | 0.053 | 58.079 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 529 | PRO | 0 | -0.016 | -0.024 | 57.919 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 530 | GLY | 0 | 0.087 | 0.060 | 53.967 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 531 | VAL | 0 | 0.019 | 0.005 | 50.417 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 532 | LEU | 0 | -0.031 | -0.022 | 48.458 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 533 | ALA | 0 | -0.001 | 0.007 | 52.654 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 534 | LEU | 0 | 0.011 | 0.004 | 56.159 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 535 | LEU | 0 | -0.032 | -0.002 | 52.001 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 536 | ASP | -1 | -0.856 | -0.947 | 55.128 | 5.860 | 5.860 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 537 | GLU | -1 | -0.939 | -0.958 | 57.519 | 5.047 | 5.047 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 538 | GLU | -1 | -0.903 | -0.980 | 58.887 | 5.124 | 5.124 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 539 | CYS | 0 | -0.072 | -0.024 | 57.152 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 540 | TRP | 0 | -0.050 | -0.001 | 59.924 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 541 | PHE | 0 | -0.032 | -0.020 | 63.133 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 542 | PRO | 0 | 0.006 | -0.006 | 63.803 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 543 | LYS | 1 | 0.899 | 0.940 | 64.640 | -4.577 | -4.577 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 544 | ALA | 0 | 0.014 | 0.045 | 62.263 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 545 | THR | 0 | -0.020 | -0.031 | 60.517 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 546 | ASP | -1 | -0.762 | -0.901 | 55.466 | 5.836 | 5.836 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 547 | LYS | 1 | 0.918 | 0.952 | 55.861 | -5.679 | -5.679 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 548 | THR | 0 | 0.085 | 0.048 | 59.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 549 | PHE | 0 | 0.014 | 0.020 | 52.979 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 550 | VAL | 0 | 0.003 | 0.006 | 54.611 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 551 | GLU | -1 | -0.985 | -0.993 | 57.042 | 5.153 | 5.153 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 552 | LYS | 1 | 0.926 | 0.970 | 60.387 | -5.169 | -5.169 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 553 | LEU | 0 | 0.009 | 0.019 | 52.744 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 554 | VAL | 0 | -0.038 | -0.035 | 56.276 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 555 | GLN | 0 | -0.077 | -0.030 | 58.045 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 556 | GLU | -1 | -0.952 | -0.983 | 59.248 | 5.140 | 5.140 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 557 | GLN | 0 | -0.047 | -0.034 | 55.135 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 558 | GLY | 0 | 0.070 | 0.041 | 56.521 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 559 | SER | 0 | -0.099 | -0.054 | 56.797 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 560 | HIS | 0 | 0.039 | 0.029 | 50.013 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 561 | SER | 0 | 0.045 | 0.018 | 51.004 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 562 | LYS | 1 | 0.893 | 0.951 | 45.062 | -6.902 | -6.902 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 563 | PHE | 0 | 0.034 | 0.029 | 48.612 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 564 | GLN | 0 | 0.002 | -0.002 | 48.768 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 565 | LYS | 1 | 0.941 | 0.971 | 51.443 | -5.600 | -5.600 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 566 | PRO | 0 | 0.051 | 0.034 | 50.726 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 567 | ARG | 1 | 0.946 | 0.977 | 49.052 | -6.526 | -6.526 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 568 | GLN | 0 | 0.016 | -0.004 | 52.787 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 569 | LEU | 0 | -0.033 | -0.011 | 54.890 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 570 | LYS | 1 | 0.944 | 0.965 | 56.061 | -5.416 | -5.416 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 571 | ASP | -1 | -0.859 | -0.905 | 49.541 | 6.581 | 6.581 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 572 | LYS | 1 | 0.884 | 0.924 | 47.982 | -6.486 | -6.486 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 573 | ALA | 0 | 0.036 | 0.024 | 47.363 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 574 | ASP | -1 | -0.848 | -0.933 | 49.477 | 5.971 | 5.971 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 575 | PHE | 0 | -0.078 | -0.050 | 49.366 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 576 | CYM | -1 | -0.766 | -0.805 | 46.810 | 6.927 | 6.927 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 577 | ILE | 0 | -0.016 | -0.010 | 45.464 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 578 | ILE | 0 | -0.095 | -0.046 | 43.839 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 579 | HIS | 0 | -0.007 | -0.027 | 40.314 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 580 | TYR | 0 | -0.021 | -0.041 | 34.284 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 581 | ALA | 0 | -0.015 | 0.013 | 35.880 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 582 | GLY | 0 | -0.004 | -0.009 | 36.956 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 583 | LYS | 1 | 0.776 | 0.847 | 39.702 | -7.041 | -7.041 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 584 | VAL | 0 | -0.028 | -0.003 | 39.901 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 585 | ASP | -1 | -0.796 | -0.930 | 42.583 | 6.957 | 6.957 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 586 | TYR | 0 | -0.027 | -0.018 | 43.169 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 587 | LYS | 1 | 0.873 | 0.947 | 46.826 | -6.517 | -6.517 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 588 | ALA | 0 | -0.012 | -0.015 | 48.996 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 589 | ASP | -1 | -0.907 | -0.969 | 50.710 | 6.067 | 6.067 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 590 | GLU | -1 | -0.936 | -0.982 | 50.871 | 6.422 | 6.422 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 591 | TRP | 0 | -0.008 | -0.007 | 47.360 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 592 | LEU | 0 | 0.014 | 0.006 | 52.294 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 593 | MET | 0 | -0.060 | -0.017 | 51.670 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 594 | LYS | 1 | 0.800 | 0.896 | 46.228 | -6.842 | -6.842 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 595 | ASN | 0 | 0.033 | 0.010 | 50.811 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 596 | MET | 0 | 0.019 | 0.027 | 52.712 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 597 | ASP | -1 | -0.875 | -0.956 | 52.522 | 6.265 | 6.265 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 598 | PRO | 0 | 0.029 | 0.035 | 54.909 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 599 | LEU | 0 | 0.017 | 0.000 | 56.333 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 600 | ASN | 0 | 0.035 | 0.008 | 58.748 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 601 | ASP | -1 | -0.777 | -0.901 | 61.048 | 5.263 | 5.263 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 602 | ASN | 0 | -0.097 | -0.041 | 62.995 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 603 | VAL | 0 | 0.026 | -0.001 | 59.862 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 604 | ALA | 0 | 0.053 | 0.039 | 58.955 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 605 | THR | 0 | -0.038 | -0.040 | 59.824 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 606 | LEU | 0 | -0.062 | -0.027 | 62.337 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 607 | LEU | 0 | 0.015 | 0.000 | 55.921 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 608 | HIS | 0 | 0.002 | 0.008 | 58.122 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 609 | GLN | 0 | -0.074 | -0.042 | 59.487 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 610 | SER | 0 | -0.010 | 0.023 | 58.254 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 611 | SER | 0 | -0.014 | -0.016 | 60.362 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 612 | ASP | -1 | -0.877 | -0.938 | 55.179 | 5.955 | 5.955 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 613 | ARG | 1 | 0.988 | 0.968 | 55.888 | -5.669 | -5.669 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 614 | PHE | 0 | 0.044 | 0.032 | 47.003 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 615 | VAL | 0 | -0.002 | -0.008 | 52.480 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 616 | ALA | 0 | 0.014 | 0.008 | 54.219 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 617 | GLU | -1 | -0.958 | -0.974 | 50.344 | 6.434 | 6.434 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 618 | LEU | 0 | -0.034 | -0.014 | 48.831 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 619 | TRP | 0 | -0.068 | -0.034 | 51.813 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 620 | LYS | 1 | 0.963 | 1.000 | 54.453 | -5.840 | -5.840 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 621 | ASP | -1 | -0.986 | -0.988 | 53.835 | 5.823 | 5.823 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 622 | VAL | 0 | -0.013 | 0.004 | 55.205 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 623 | ASP | -1 | -0.926 | -0.958 | 56.906 | 5.446 | 5.446 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 651 | ARG | 1 | 0.871 | 0.917 | 52.597 | -5.993 | -5.993 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 652 | THR | 0 | 0.043 | 0.031 | 54.218 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 653 | VAL | 0 | -0.040 | -0.012 | 48.581 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 654 | GLY | 0 | 0.051 | 0.016 | 49.314 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 655 | GLN | 0 | -0.006 | 0.013 | 50.132 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 656 | LEU | 0 | 0.005 | -0.009 | 49.620 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 657 | TYR | 0 | 0.008 | 0.009 | 41.070 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 658 | LYS | 1 | 0.994 | 1.003 | 46.096 | -6.019 | -6.019 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 659 | GLU | -1 | -0.970 | -0.956 | 48.026 | 6.288 | 6.288 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 660 | SER | 0 | -0.027 | -0.027 | 44.533 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 661 | LEU | 0 | 0.011 | 0.013 | 41.277 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 662 | THR | 0 | -0.051 | -0.051 | 43.669 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 663 | LYS | 1 | 0.969 | 0.993 | 43.860 | -7.198 | -7.198 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 664 | LEU | 0 | 0.005 | 0.008 | 37.697 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 665 | MET | 0 | -0.023 | -0.013 | 38.682 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 666 | ALA | 0 | -0.016 | 0.002 | 42.101 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 667 | THR | 0 | -0.079 | -0.046 | 40.297 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 668 | LEU | 0 | 0.038 | 0.010 | 35.949 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 669 | ARG | 1 | 0.941 | 0.975 | 38.660 | -7.141 | -7.141 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 670 | ASN | 0 | -0.036 | 0.004 | 41.200 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 671 | THR | 0 | -0.078 | -0.026 | 36.440 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 672 | ASN | 0 | 0.058 | 0.018 | 33.349 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 673 | PRO | 0 | -0.023 | 0.007 | 33.243 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 674 | ASN | 0 | 0.025 | 0.004 | 27.716 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 675 | PHE | 0 | 0.009 | 0.008 | 28.060 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 676 | VAL | 0 | -0.002 | -0.003 | 22.180 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 677 | ARG | 1 | 0.841 | 0.905 | 23.620 | -11.195 | -11.195 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 678 | CYS | 0 | -0.030 | -0.001 | 21.667 | 0.766 | 0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 679 | ILE | 0 | -0.015 | 0.002 | 20.848 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 680 | ILE | 0 | 0.005 | -0.010 | 20.233 | 1.038 | 1.038 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 681 | PRO | 0 | -0.008 | 0.022 | 17.045 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 682 | ASN | 0 | 0.009 | -0.024 | 17.702 | -0.767 | -0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 683 | HIS | 0 | 0.093 | 0.037 | 21.664 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 684 | GLU | -1 | -0.889 | -0.936 | 20.993 | 13.826 | 13.826 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 685 | LYS | 1 | 0.930 | 0.984 | 19.576 | -13.066 | -13.066 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 686 | ARG | 1 | 0.958 | 0.979 | 14.083 | -19.100 | -19.100 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 687 | ALA | 0 | 0.014 | 0.010 | 11.508 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 688 | GLY | 0 | -0.004 | -0.001 | 12.747 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 689 | LYS | 1 | 0.873 | 0.939 | 13.364 | -15.171 | -15.171 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 690 | LEU | 0 | -0.006 | -0.005 | 17.106 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 691 | ASP | -1 | -0.899 | -0.960 | 19.298 | 11.999 | 11.999 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 692 | PRO | 0 | -0.039 | -0.025 | 23.079 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 693 | HIS | 0 | 0.047 | 0.007 | 24.675 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 694 | LEU | 0 | 0.017 | 0.037 | 23.659 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 695 | VAL | 0 | -0.024 | -0.014 | 21.795 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 696 | LEU | 0 | -0.012 | -0.014 | 24.937 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 697 | ASP | -1 | -0.872 | -0.931 | 28.121 | 9.851 | 9.851 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 698 | GLN | 0 | -0.008 | -0.018 | 23.897 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 699 | LEU | 0 | -0.083 | -0.037 | 24.883 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 700 | ARG | 1 | 0.917 | 0.954 | 28.554 | -9.849 | -9.849 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 701 | CYS | 0 | -0.020 | 0.007 | 31.012 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 702 | ASN | 0 | 0.004 | 0.004 | 26.681 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 703 | GLY | 0 | 0.103 | 0.057 | 30.646 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 704 | VAL | 0 | -0.044 | -0.016 | 26.172 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 705 | LEU | 0 | 0.004 | -0.014 | 29.210 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 706 | GLU | -1 | -0.819 | -0.909 | 31.434 | 8.175 | 8.175 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 707 | GLY | 0 | 0.035 | 0.010 | 31.664 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 708 | ILE | 0 | -0.059 | -0.036 | 28.156 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 709 | ARG | 1 | 0.872 | 0.933 | 32.105 | -8.204 | -8.204 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 710 | ILE | 0 | 0.012 | 0.015 | 35.386 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 711 | CYS | 0 | 0.001 | 0.020 | 32.595 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 712 | ARG | 1 | 0.888 | 0.940 | 34.492 | -8.781 | -8.781 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 713 | GLN | 0 | -0.028 | -0.001 | 36.511 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 714 | GLY | 0 | 0.019 | 0.014 | 38.258 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 715 | PHE | 0 | -0.098 | -0.051 | 37.082 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 716 | PRO | 0 | 0.001 | 0.016 | 32.088 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 717 | ASN | 0 | -0.016 | -0.024 | 29.895 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 718 | ARG | 1 | 0.888 | 0.950 | 30.586 | -9.393 | -9.393 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 719 | ILE | 0 | 0.016 | 0.019 | 28.356 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 720 | VAL | 0 | 0.015 | 0.023 | 28.984 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 721 | PHE | 0 | 0.056 | 0.009 | 31.532 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 722 | GLN | 0 | 0.015 | -0.013 | 30.177 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 723 | GLU | -1 | -0.877 | -0.937 | 26.131 | 10.852 | 10.852 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 724 | PHE | 0 | 0.012 | -0.004 | 28.938 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 725 | ARG | 1 | 0.953 | 0.965 | 31.709 | -8.134 | -8.134 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 726 | GLN | 0 | -0.017 | -0.006 | 25.292 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 727 | ARG | 1 | 0.755 | 0.874 | 24.699 | -10.835 | -10.835 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 728 | TYR | 0 | 0.029 | -0.020 | 29.730 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 729 | GLU | -1 | -0.828 | -0.914 | 33.231 | 8.019 | 8.019 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 730 | ILE | 0 | -0.058 | -0.023 | 33.258 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 731 | LEU | 0 | 0.002 | 0.003 | 35.196 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 732 | THR | 0 | -0.062 | -0.033 | 37.859 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 733 | PRO | 0 | 0.019 | 0.019 | 39.527 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 734 | ASN | 0 | 0.019 | -0.002 | 40.592 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 735 | ALA | 0 | -0.030 | 0.009 | 42.396 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 736 | ILE | 0 | -0.045 | -0.031 | 37.972 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 737 | PRO | 0 | 0.005 | 0.014 | 41.973 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 738 | LYS | 1 | 0.984 | 0.989 | 40.731 | -6.421 | -6.421 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 739 | GLY | 0 | -0.019 | -0.011 | 38.655 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 740 | PHE | 0 | 0.013 | -0.006 | 39.481 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 741 | MET | 0 | -0.064 | -0.036 | 35.677 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 742 | ASP | -1 | -0.837 | -0.913 | 39.310 | 6.970 | 6.970 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 743 | GLY | 0 | -0.029 | -0.009 | 36.939 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 744 | LYS | 1 | 0.973 | 0.997 | 37.526 | -6.999 | -6.999 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 745 | GLN | 0 | 0.095 | 0.027 | 39.771 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 746 | ALA | 0 | -0.046 | -0.017 | 38.310 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 747 | CYS | 0 | 0.014 | 0.025 | 36.505 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 748 | GLU | -1 | -0.895 | -0.949 | 39.082 | 6.794 | 6.794 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 749 | ARG | 1 | 0.870 | 0.943 | 42.461 | -6.741 | -6.741 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 750 | MET | 0 | -0.017 | 0.006 | 35.517 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 751 | ILE | 0 | 0.033 | 0.019 | 38.695 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 752 | ARG | 1 | 0.919 | 0.966 | 42.017 | -6.282 | -6.282 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 753 | ALA | 0 | -0.044 | -0.034 | 43.123 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 754 | LEU | 0 | -0.014 | -0.016 | 38.235 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 755 | GLU | -1 | -0.993 | -0.974 | 42.930 | 6.298 | 6.298 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 756 | LEU | 0 | -0.025 | -0.005 | 39.096 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 757 | ASP | -1 | -0.804 | -0.919 | 43.468 | 6.570 | 6.570 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 758 | PRO | 0 | 0.032 | 0.003 | 43.883 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 759 | ASN | 0 | -0.030 | 0.002 | 45.082 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 760 | LEU | 0 | 0.026 | 0.014 | 40.449 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 761 | TYR | 0 | -0.031 | 0.006 | 39.463 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 762 | ARG | 1 | 0.857 | 0.914 | 39.438 | -7.233 | -7.233 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 763 | ILE | 0 | -0.006 | 0.003 | 39.148 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 764 | GLY | 0 | 0.041 | 0.026 | 38.677 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 765 | GLN | 0 | -0.017 | -0.007 | 38.868 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 766 | SER | 0 | -0.097 | -0.070 | 34.295 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 767 | LYS | 1 | 0.868 | 0.938 | 30.958 | -8.944 | -8.944 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 768 | ILE | 0 | -0.006 | -0.003 | 34.420 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 769 | PHE | 0 | -0.012 | -0.003 | 34.583 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 770 | PHE | 0 | 0.021 | -0.009 | 33.736 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 771 | ARG | 1 | 0.891 | 0.945 | 35.549 | -7.287 | -7.287 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 772 | ALA | 0 | 0.036 | 0.016 | 34.168 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 773 | GLY | 0 | -0.071 | -0.036 | 33.808 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 774 | VAL | 0 | 0.002 | 0.005 | 35.226 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 775 | LEU | 0 | 0.041 | 0.006 | 30.022 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 776 | ALA | 0 | -0.033 | -0.020 | 31.469 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 777 | HIS | 0 | 0.039 | 0.035 | 32.491 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 778 | LEU | 0 | 0.039 | 0.021 | 33.829 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 779 | GLU | -1 | -0.816 | -0.895 | 27.620 | 10.628 | 10.628 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 780 | GLU | -1 | -0.936 | -0.975 | 31.253 | 8.904 | 8.904 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 781 | GLU | -1 | -0.841 | -0.934 | 33.327 | 7.741 | 7.741 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 782 | ARG | 1 | 0.916 | 0.968 | 27.079 | -10.117 | -10.117 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 783 | ALA | 0 | -0.046 | -0.018 | 30.623 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 784 | SER | 0 | 0.006 | -0.005 | 31.982 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 785 | GLU | -1 | -0.876 | -0.940 | 35.580 | 7.543 | 7.543 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 786 | GLN | 0 | -0.104 | -0.062 | 30.078 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 787 | THR | 0 | -0.047 | -0.032 | 32.175 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 788 | LYS | 1 | 0.956 | 1.001 | 34.348 | -7.324 | -7.324 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 789 | SER | 0 | 0.001 | -0.008 | 36.100 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 790 | ASP | -1 | -0.852 | -0.941 | 32.207 | 8.970 | 8.970 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 791 | TYR | 0 | -0.091 | -0.049 | 35.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 792 | LEU | 0 | 0.005 | -0.016 | 38.265 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 793 | LYS | 1 | 0.896 | 0.981 | 34.078 | -8.534 | -8.534 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 794 | ARG | 1 | 1.005 | 0.992 | 33.280 | -8.714 | -8.714 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 795 | ALA | 0 | 0.020 | 0.032 | 39.193 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 796 | ASN | 0 | 0.018 | -0.001 | 42.386 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 797 | GLU | -1 | -0.959 | -0.973 | 39.216 | 7.465 | 7.465 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 798 | LEU | 0 | -0.015 | 0.006 | 42.138 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 799 | VAL | 0 | 0.021 | -0.004 | 43.944 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 800 | GLN | 0 | -0.024 | -0.006 | 46.807 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 801 | TRP | 0 | 0.000 | 0.011 | 45.144 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 802 | ILE | 0 | -0.005 | -0.002 | 47.254 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 803 | ASN | 0 | -0.028 | -0.027 | 49.638 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 804 | ASP | -1 | -0.881 | -0.941 | 49.653 | 5.895 | 5.895 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 805 | LYS | 1 | 0.897 | 0.963 | 49.827 | -6.105 | -6.105 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 806 | GLN | 0 | 0.013 | -0.014 | 51.890 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 807 | ALA | 0 | 0.036 | 0.025 | 54.785 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 808 | SER | 0 | -0.057 | -0.021 | 54.077 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 809 | LEU | 0 | -0.083 | -0.043 | 53.491 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 810 | GLU | -1 | -0.927 | -0.969 | 57.106 | 5.073 | 5.073 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 811 | SER | 0 | -0.027 | -0.002 | 59.555 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 812 | ARG | 1 | 0.875 | 0.917 | 61.271 | -4.900 | -4.900 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 813 | ASP | -1 | -0.905 | -0.930 | 63.300 | 4.699 | 4.699 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 814 | PHE | 0 | -0.008 | -0.008 | 61.393 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 815 | GLY | 0 | 0.051 | 0.074 | 62.899 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 816 | ASP | -1 | -0.871 | -0.930 | 64.791 | 4.431 | 4.431 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 817 | SER | 0 | -0.059 | -0.028 | 65.708 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 818 | ILE | 0 | 0.015 | -0.023 | 66.249 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 819 | GLU | -1 | -0.944 | -0.975 | 62.479 | 4.895 | 4.895 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 820 | SER | 0 | -0.067 | -0.067 | 61.304 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 821 | VAL | 0 | 0.053 | 0.030 | 60.939 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 822 | GLN | 0 | 0.001 | -0.039 | 60.064 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 823 | SER | 0 | -0.031 | 0.007 | 57.170 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 824 | PHE | 0 | 0.087 | 0.043 | 55.983 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 825 | MET | 0 | -0.074 | -0.022 | 56.178 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 826 | ASN | 0 | -0.031 | -0.026 | 53.756 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 827 | ALA | 0 | 0.043 | 0.034 | 51.827 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 828 | HIS | 0 | 0.083 | 0.046 | 51.379 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 829 | LYS | 1 | 0.867 | 0.913 | 51.567 | -5.797 | -5.797 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 830 | GLU | -1 | -0.898 | -0.950 | 45.751 | 6.625 | 6.625 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 831 | TYR | 0 | 0.058 | 0.042 | 47.183 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 832 | LYS | 1 | 0.816 | 0.901 | 47.106 | -5.719 | -5.719 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 833 | LYS | 1 | 0.896 | 0.951 | 44.574 | -6.652 | -6.652 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 834 | THR | 0 | -0.014 | -0.002 | 41.926 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 835 | GLU | -1 | -0.844 | -0.933 | 42.354 | 6.678 | 6.678 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 836 | LYS | 1 | 0.817 | 0.893 | 43.502 | -6.091 | -6.091 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 837 | PRO | 0 | -0.008 | -0.004 | 40.953 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 838 | PRO | 0 | 0.000 | 0.009 | 38.305 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 839 | LYS | 1 | 0.987 | 0.994 | 39.705 | -7.168 | -7.168 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 840 | GLY | 0 | 0.015 | 0.008 | 42.277 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 841 | GLN | 0 | -0.059 | -0.033 | 37.346 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 842 | GLU | -1 | -0.873 | -0.937 | 37.612 | 7.923 | 7.923 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 843 | VAL | 0 | 0.037 | 0.015 | 39.341 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 844 | SER | 0 | -0.005 | -0.009 | 40.152 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 845 | GLU | -1 | -0.971 | -0.973 | 34.679 | 8.827 | 8.827 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 846 | LEU | 0 | 0.004 | -0.008 | 37.339 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 847 | GLU | -1 | -0.900 | -0.935 | 39.267 | 6.961 | 6.961 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 848 | ALA | 0 | -0.018 | -0.010 | 36.658 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 849 | ILE | 0 | -0.043 | -0.031 | 34.342 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 850 | TYR | 0 | 0.017 | 0.017 | 36.710 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 851 | ASN | 0 | 0.020 | 0.007 | 39.539 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 852 | SER | 0 | -0.033 | -0.024 | 33.446 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 853 | LEU | 0 | -0.038 | -0.011 | 36.027 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 854 | GLN | 0 | 0.056 | 0.019 | 37.452 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 855 | THR | 0 | -0.120 | -0.072 | 36.703 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 856 | LYS | 1 | 0.951 | 0.963 | 31.154 | -9.402 | -9.402 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 857 | LEU | 0 | 0.039 | 0.049 | 36.065 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 858 | ARG | 1 | 0.942 | 0.982 | 38.975 | -7.582 | -7.582 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 859 | LEU | 0 | -0.075 | -0.036 | 35.016 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 860 | ILE | 0 | -0.030 | -0.006 | 34.881 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 861 | LYS | 1 | 0.876 | 0.947 | 38.365 | -7.034 | -7.034 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 862 | ARG | 1 | 0.896 | 0.942 | 39.277 | -7.603 | -7.603 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 863 | GLU | -1 | -0.931 | -0.956 | 43.491 | 6.725 | 6.725 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 864 | PRO | 0 | -0.005 | -0.022 | 44.183 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 865 | PHE | 0 | 0.017 | 0.009 | 42.869 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 866 | VAL | 0 | 0.016 | 0.009 | 44.825 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 867 | ALA | 0 | -0.005 | -0.013 | 45.616 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 868 | PRO | 0 | -0.014 | 0.000 | 46.537 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 869 | ALA | 0 | -0.018 | -0.030 | 48.931 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 870 | GLY | 0 | 0.058 | 0.049 | 50.739 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 871 | LEU | 0 | 0.001 | -0.007 | 44.725 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 872 | THR | 0 | -0.065 | -0.070 | 45.427 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 873 | PRO | 0 | 0.054 | 0.015 | 43.469 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 874 | ASN | 0 | 0.022 | 0.013 | 45.960 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 875 | GLU | -1 | -0.872 | -0.895 | 49.381 | 5.849 | 5.849 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 876 | ILE | 0 | -0.036 | 0.001 | 45.020 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 877 | ASP | -1 | -0.826 | -0.931 | 47.772 | 6.208 | 6.208 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 878 | SER | 0 | -0.022 | 0.009 | 49.215 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 879 | THR | 0 | 0.002 | -0.006 | 50.603 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 880 | TRP | 0 | -0.047 | -0.026 | 46.213 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 881 | SER | 0 | -0.031 | -0.037 | 50.525 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 882 | ALA | 0 | -0.076 | -0.031 | 53.384 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 883 | LEU | 0 | 0.010 | 0.022 | 49.844 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 884 | GLU | -1 | -0.888 | -0.949 | 49.868 | 6.113 | 6.113 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 885 | LYS | 1 | 0.909 | 0.960 | 54.019 | -5.095 | -5.095 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 886 | ALA | 0 | 0.081 | 0.043 | 56.779 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 887 | GLU | -1 | -0.824 | -0.893 | 51.746 | 5.940 | 5.940 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 888 | GLN | 0 | -0.003 | -0.016 | 56.048 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 889 | GLU | -1 | -0.911 | -0.947 | 59.335 | 4.899 | 4.899 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 890 | HIS | 0 | -0.046 | -0.011 | 57.235 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 891 | ALA | 0 | -0.008 | -0.019 | 58.115 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 892 | GLU | -1 | -0.906 | -0.939 | 60.071 | 4.732 | 4.732 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 893 | ALA | 0 | -0.006 | -0.021 | 63.579 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 894 | LEU | 0 | 0.070 | 0.046 | 59.138 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 895 | ARG | 1 | 0.845 | 0.911 | 63.407 | -4.721 | -4.721 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 896 | ILE | 0 | -0.072 | -0.040 | 65.300 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 897 | GLU | -1 | -0.750 | -0.866 | 66.173 | 4.405 | 4.405 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | A | 898 | LEU | 0 | -0.014 | 0.003 | 63.886 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | A | 899 | LYS | 1 | 0.880 | 0.923 | 67.117 | -4.443 | -4.443 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | A | 900 | ARG | 1 | 0.795 | 0.879 | 70.440 | -4.371 | -4.371 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | A | 901 | GLN | 0 | 0.077 | 0.036 | 67.806 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | A | 902 | LYS | 1 | 0.924 | 0.965 | 66.439 | -4.658 | -4.658 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | A | 903 | LYS | 1 | 0.916 | 0.946 | 71.733 | -4.185 | -4.185 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | A | 904 | ILE | 0 | 0.088 | 0.055 | 73.121 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | A | 905 | ALA | 0 | 0.012 | 0.023 | 72.111 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | A | 906 | VAL | 0 | -0.054 | -0.030 | 74.249 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | A | 907 | LEU | 0 | 0.004 | 0.002 | 77.039 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | A | 908 | LEU | 0 | 0.068 | 0.040 | 75.200 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | A | 909 | GLN | 0 | -0.040 | -0.025 | 75.839 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | A | 910 | LYS | 1 | 0.921 | 0.931 | 78.739 | -3.869 | -3.869 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | A | 911 | TYR | 0 | 0.065 | 0.040 | 81.739 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | A | 912 | ASN | 0 | -0.007 | -0.011 | 78.631 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | A | 913 | ARG | 1 | 0.889 | 0.971 | 79.937 | -3.866 | -3.866 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | A | 914 | ILE | 0 | 0.008 | -0.004 | 83.805 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | A | 915 | LEU | 0 | 0.031 | 0.019 | 85.009 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | A | 916 | LYS | 1 | 0.988 | 0.994 | 79.877 | -3.895 | -3.895 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | A | 917 | LYS | 1 | 0.907 | 0.970 | 86.258 | -3.443 | -3.443 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | A | 918 | LEU | 0 | -0.041 | -0.030 | 88.697 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | A | 919 | GLU | -1 | -0.872 | -0.923 | 85.740 | 3.625 | 3.625 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | A | 920 | ASN | 0 | 0.019 | 0.001 | 87.039 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | A | 921 | TRP | 0 | -0.026 | -0.001 | 91.005 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | A | 922 | ALA | 0 | 0.053 | 0.020 | 93.505 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | A | 923 | THR | 0 | -0.002 | 0.018 | 91.847 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | A | 924 | THR | 0 | -0.036 | -0.028 | 94.352 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | A | 925 | LYS | 1 | 0.796 | 0.907 | 96.113 | -3.158 | -3.158 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | A | 926 | SER | 0 | -0.019 | -0.029 | 97.319 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | A | 927 | VAL | 0 | -0.072 | -0.024 | 98.923 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | A | 928 | TYR | 0 | -0.032 | -0.002 | 101.354 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | A | 946 | LYS | 1 | 0.924 | 0.946 | 113.663 | -2.698 | -2.698 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | A | 947 | ASN | 0 | 0.068 | 0.029 | 109.464 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | A | 948 | LEU | 0 | -0.017 | 0.001 | 107.545 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | A | 949 | GLU | -1 | -0.806 | -0.923 | 108.313 | 2.840 | 2.840 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | A | 950 | ALA | 0 | -0.025 | -0.006 | 108.977 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | A | 951 | PHE | 0 | -0.021 | -0.034 | 103.243 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | A | 952 | ASP | -1 | -0.926 | -0.949 | 104.128 | 2.997 | 2.997 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | A | 953 | GLY | 0 | 0.015 | 0.012 | 105.272 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | A | 954 | GLU | -1 | -0.913 | -0.951 | 100.252 | 3.154 | 3.154 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | A | 955 | CYS | 0 | -0.014 | -0.001 | 100.436 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | A | 956 | GLN | 0 | 0.013 | -0.010 | 100.161 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | A | 957 | SER | 0 | 0.007 | 0.009 | 100.960 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | A | 958 | LEU | 0 | -0.050 | -0.020 | 95.246 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | A | 959 | GLU | -1 | -0.860 | -0.919 | 96.185 | 3.220 | 3.220 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | A | 960 | GLY | 0 | 0.009 | -0.003 | 96.300 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | A | 961 | GLN | 0 | -0.036 | -0.011 | 93.797 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | A | 962 | SER | 0 | -0.016 | -0.023 | 92.059 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | A | 963 | ASN | 0 | -0.016 | -0.009 | 91.598 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | A | 964 | SER | 0 | 0.069 | 0.035 | 92.380 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | A | 965 | ASP | -1 | -0.929 | -0.960 | 89.352 | 3.483 | 3.483 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | A | 966 | LEU | 0 | -0.054 | -0.044 | 86.909 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | A | 967 | LEU | 0 | 0.011 | -0.009 | 87.576 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | A | 968 | SER | 0 | -0.023 | 0.004 | 88.426 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | A | 969 | ILE | 0 | -0.054 | -0.027 | 82.640 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | A | 970 | LEU | 0 | 0.015 | -0.002 | 83.531 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | A | 971 | ALA | 0 | 0.016 | 0.015 | 84.187 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | A | 972 | GLN | 0 | 0.008 | 0.011 | 82.324 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | A | 973 | LEU | 0 | -0.046 | -0.021 | 78.388 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | A | 974 | THR | 0 | -0.053 | -0.031 | 79.559 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | A | 975 | GLU | -1 | -0.881 | -0.930 | 80.763 | 3.823 | 3.823 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | A | 976 | LEU | 0 | -0.083 | -0.038 | 76.436 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | A | 977 | ASN | 0 | -0.016 | 0.001 | 75.719 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | A | 978 | TYR | 0 | -0.002 | 0.019 | 74.293 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | A | 979 | ASN | 0 | 0.029 | -0.004 | 71.707 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | A | 980 | GLY | 0 | 0.056 | 0.031 | 76.134 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | A | 981 | VAL | 0 | -0.005 | -0.016 | 77.504 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
907 | A | 982 | PRO | 0 | 0.023 | 0.014 | 80.165 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
908 | A | 983 | GLU | -1 | -0.903 | -0.941 | 77.974 | 3.864 | 3.864 | 0.000 | 0.000 | 0.000 | 0.000 |
909 | A | 984 | LEU | 0 | -0.016 | -0.017 | 79.252 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | A | 985 | THR | 0 | -0.062 | -0.048 | 82.620 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | A | 986 | GLU | -1 | -0.869 | -0.926 | 84.820 | 3.514 | 3.514 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | A | 987 | ARG | 1 | 0.990 | 0.988 | 80.565 | -3.816 | -3.816 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | A | 988 | LYS | 1 | 0.897 | 0.991 | 85.791 | -3.481 | -3.481 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | A | 989 | ASP | -1 | -0.895 | -0.949 | 88.291 | 3.422 | 3.422 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | A | 990 | THR | 0 | -0.086 | -0.066 | 87.455 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | A | 991 | PHE | 0 | 0.004 | -0.008 | 89.383 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | A | 992 | PHE | 0 | -0.013 | 0.006 | 91.202 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | A | 993 | ALA | 0 | 0.037 | 0.019 | 93.686 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | A | 994 | GLN | 0 | -0.010 | 0.001 | 92.016 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | A | 995 | GLN | 0 | 0.002 | 0.015 | 94.444 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | A | 996 | TRP | 0 | 0.008 | 0.001 | 96.646 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | A | 997 | THR | 0 | -0.065 | -0.070 | 96.874 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | A | 998 | GLY | 0 | 0.046 | 0.023 | 98.711 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
924 | A | 999 | VAL | 0 | 0.041 | 0.032 | 99.984 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
925 | A | 1000 | LYS | 1 | 0.874 | 0.961 | 102.554 | -2.994 | -2.994 | 0.000 | 0.000 | 0.000 | 0.000 |
926 | A | 1001 | SER | 0 | -0.093 | -0.058 | 102.185 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
927 | A | 1002 | SER | 0 | -0.026 | -0.006 | 104.218 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
928 | A | 1003 | ALA | 0 | -0.009 | 0.002 | 106.475 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |