FMODB ID: ZVJ2N
Calculation Name: 1WU7-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1WU7
Chain ID: A
UniProt ID: Q9HLX5
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 424 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7029942.368256 |
---|---|
FMO2-HF: Nuclear repulsion | 6861215.166288 |
FMO2-HF: Total energy | -168727.201968 |
FMO2-MP2: Total energy | -169218.101219 |
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:3:ARG)
Summations of interaction energy for
fragment #1(A:3:ARG)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-76.577 | -71.861 | 1.258 | -2.838 | -3.136 | -0.023 |
Interaction energy analysis for fragmet #1(A:3:ARG)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 5 | GLN | 0 | 0.014 | -0.004 | 2.448 | -11.635 | -6.960 | 1.259 | -2.833 | -3.101 | -0.023 |
4 | A | 6 | ILE | 0 | -0.014 | 0.008 | 5.150 | 1.781 | 1.822 | -0.001 | -0.005 | -0.035 | 0.000 |
5 | A | 7 | GLU | -1 | -0.914 | -0.955 | 8.349 | -25.017 | -25.017 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | LYS | 1 | 0.878 | 0.950 | 11.109 | 16.667 | 16.667 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | ILE | 0 | -0.015 | -0.012 | 14.401 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ARG | 1 | 0.905 | 0.949 | 17.258 | 14.008 | 14.008 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | GLY | 0 | 0.062 | 0.012 | 19.297 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | PHE | 0 | 0.002 | 0.017 | 19.328 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | ARG | 1 | 0.763 | 0.885 | 20.018 | 10.712 | 10.712 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | ASP | -1 | -0.869 | -0.920 | 15.826 | -17.251 | -17.251 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | PHE | 0 | -0.020 | -0.032 | 19.356 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | TYR | 0 | -0.051 | -0.003 | 15.315 | -0.636 | -0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | PRO | 0 | -0.014 | -0.011 | 20.610 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | GLU | -1 | -0.795 | -0.917 | 22.153 | -12.233 | -12.233 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | ASP | -1 | -0.879 | -0.938 | 22.403 | -12.047 | -12.047 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | MET | 0 | -0.056 | -0.049 | 24.230 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | ASP | -1 | -0.930 | -0.954 | 26.803 | -9.758 | -9.758 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | VAL | 0 | -0.053 | -0.032 | 29.179 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | GLU | -1 | -0.887 | -0.953 | 27.713 | -9.692 | -9.692 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | LYS | 1 | 0.930 | 0.967 | 29.262 | 9.792 | 9.792 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | PHE | 0 | 0.018 | 0.025 | 32.229 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | ILE | 0 | 0.032 | 0.019 | 32.641 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | PHE | 0 | -0.046 | -0.030 | 29.740 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | LYS | 1 | 0.924 | 0.967 | 35.516 | 7.890 | 7.890 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | THR | 0 | -0.012 | -0.011 | 37.880 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | ALA | 0 | -0.015 | -0.010 | 38.543 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | GLU | -1 | -0.920 | -0.982 | 36.508 | -8.135 | -8.135 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | GLU | -1 | -0.891 | -0.946 | 40.882 | -7.096 | -7.096 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | ALA | 0 | -0.040 | -0.018 | 43.524 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | ALA | 0 | 0.033 | 0.003 | 43.540 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | GLU | -1 | -0.897 | -0.945 | 42.885 | -6.990 | -6.990 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | ALA | 0 | -0.080 | -0.025 | 46.530 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | PHE | 0 | -0.041 | -0.018 | 48.810 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | GLY | 0 | -0.033 | -0.009 | 49.960 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | PHE | 0 | -0.050 | -0.035 | 46.034 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | ARG | 1 | 0.922 | 0.946 | 45.546 | 6.490 | 6.490 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | ARG | 1 | 0.973 | 0.998 | 34.779 | 8.288 | 8.288 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | ILE | 0 | -0.060 | -0.017 | 40.397 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | ASP | -1 | -0.917 | -0.977 | 34.378 | -9.001 | -9.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | PHE | 0 | -0.023 | -0.026 | 35.653 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | PRO | 0 | -0.009 | 0.000 | 33.863 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | SER | 0 | 0.032 | 0.019 | 29.424 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | LEU | 0 | -0.040 | -0.014 | 28.988 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | GLU | -1 | -0.767 | -0.865 | 32.120 | -7.880 | -7.880 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | TYR | 0 | 0.000 | -0.008 | 35.000 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | LEU | 0 | 0.040 | 0.007 | 35.205 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | ASP | -1 | -0.869 | -0.934 | 37.382 | -7.382 | -7.382 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | LEU | 0 | -0.092 | -0.031 | 39.193 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | TYR | 0 | 0.029 | -0.009 | 36.625 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | ARG | 1 | 0.842 | 0.906 | 38.930 | 7.837 | 7.837 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | ILE | 0 | -0.007 | 0.017 | 43.138 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | LYS | 1 | 0.844 | 0.915 | 41.893 | 7.373 | 7.373 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | SER | 0 | -0.064 | -0.027 | 41.029 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | GLY | 0 | 0.073 | 0.039 | 43.177 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | GLU | -1 | -0.969 | -0.998 | 39.891 | -7.748 | -7.748 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | GLU | -1 | -0.859 | -0.935 | 39.084 | -7.634 | -7.634 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | LEU | 0 | -0.016 | 0.001 | 37.332 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | LEU | 0 | -0.032 | -0.041 | 36.655 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | GLN | 0 | 0.001 | 0.013 | 34.625 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | GLN | 0 | -0.045 | -0.010 | 31.954 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | THR | 0 | 0.011 | 0.016 | 31.582 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | TYR | 0 | 0.020 | 0.004 | 22.450 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | SER | 0 | 0.002 | 0.005 | 28.636 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | PHE | 0 | -0.032 | -0.025 | 27.937 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | VAL | 0 | 0.008 | 0.012 | 30.370 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | ASP | -1 | -0.830 | -0.926 | 31.110 | -9.345 | -9.345 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | LYS | 1 | 0.931 | 0.956 | 30.272 | 10.120 | 10.120 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | GLY | 0 | -0.044 | -0.013 | 33.921 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | GLY | 0 | -0.031 | -0.024 | 35.898 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | ARG | 1 | 0.942 | 0.981 | 36.535 | 7.707 | 7.707 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | GLU | -1 | -0.820 | -0.897 | 34.802 | -8.626 | -8.626 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | VAL | 0 | -0.028 | -0.007 | 31.263 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | THR | 0 | 0.006 | -0.021 | 31.123 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | LEU | 0 | -0.031 | 0.002 | 25.298 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | ILE | 0 | -0.026 | -0.006 | 30.034 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | PRO | 0 | 0.045 | 0.026 | 31.815 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | GLU | -1 | -0.886 | -0.957 | 33.579 | -7.591 | -7.591 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | ALA | 0 | 0.078 | 0.033 | 36.212 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | THR | 0 | 0.024 | 0.022 | 38.092 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | PRO | 0 | 0.037 | 0.022 | 39.625 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | SER | 0 | 0.008 | -0.006 | 37.886 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | THR | 0 | -0.017 | -0.012 | 40.473 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | VAL | 0 | 0.033 | 0.003 | 42.749 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | ARG | 1 | 0.873 | 0.947 | 39.277 | 7.760 | 7.760 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | MET | 0 | -0.060 | -0.024 | 41.579 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | VAL | 0 | -0.033 | -0.008 | 45.099 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | THR | 0 | -0.054 | -0.034 | 48.220 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | SER | 0 | -0.020 | 0.000 | 46.617 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | ARG | 1 | 0.886 | 0.952 | 45.756 | 6.597 | 6.597 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | LYS | 1 | 0.960 | 0.973 | 50.470 | 5.605 | 5.605 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | ASP | -1 | -0.921 | -0.955 | 52.580 | -5.928 | -5.928 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | LEU | 0 | -0.076 | -0.034 | 49.210 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | GLN | 0 | 0.020 | 0.013 | 53.511 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | ARG | 1 | 0.894 | 0.984 | 53.294 | 5.670 | 5.670 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | PRO | 0 | 0.004 | -0.007 | 54.442 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | LEU | 0 | -0.039 | -0.023 | 49.587 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | ARG | 1 | 0.839 | 0.901 | 49.396 | 5.793 | 5.793 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | TRP | 0 | -0.035 | -0.018 | 44.500 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | TYR | 0 | 0.019 | -0.002 | 39.476 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | SER | 0 | -0.059 | -0.030 | 37.739 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | PHE | 0 | 0.038 | 0.011 | 33.851 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | PRO | 0 | 0.006 | 0.031 | 32.336 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | LYS | 1 | 0.870 | 0.924 | 23.531 | 12.034 | 12.034 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | VAL | 0 | -0.029 | 0.006 | 29.983 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | TRP | 0 | -0.055 | -0.066 | 24.624 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | ARG | 1 | 0.959 | 0.970 | 28.205 | 9.111 | 9.111 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | TYR | 0 | -0.072 | -0.032 | 24.348 | -0.662 | -0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | GLU | -1 | -0.840 | -0.931 | 27.527 | -9.211 | -9.211 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | GLU | -1 | -0.815 | -0.900 | 24.762 | -12.561 | -12.561 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | PRO | 0 | -0.022 | -0.018 | 22.721 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | GLN | 0 | -0.064 | -0.031 | 25.913 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | ALA | 0 | 0.043 | 0.014 | 28.955 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | GLY | 0 | 0.015 | -0.001 | 29.057 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | ARG | 1 | 0.862 | 0.954 | 28.577 | 9.298 | 9.298 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | TYR | 0 | -0.005 | -0.013 | 24.158 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | ARG | 1 | 0.807 | 0.910 | 22.048 | 12.773 | 12.773 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | GLU | -1 | -0.789 | -0.875 | 23.529 | -12.439 | -12.439 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | HIS | 0 | -0.097 | -0.050 | 26.360 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | TYR | 0 | 0.013 | 0.023 | 26.320 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | GLN | 0 | -0.009 | -0.006 | 30.936 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | PHE | 0 | 0.032 | 0.019 | 34.399 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ASN | 0 | -0.018 | -0.029 | 37.530 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | ALA | 0 | 0.033 | 0.026 | 40.701 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | ASP | -1 | -0.823 | -0.901 | 44.167 | -6.855 | -6.855 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | ILE | 0 | -0.015 | -0.003 | 47.042 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | PHE | 0 | 0.015 | -0.007 | 45.955 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | GLY | 0 | -0.025 | -0.046 | 51.835 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | SER | 0 | -0.029 | -0.016 | 55.456 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | ASP | -1 | -0.870 | -0.949 | 56.535 | -5.371 | -5.371 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | SER | 0 | -0.040 | -0.016 | 58.241 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | PRO | 0 | 0.045 | 0.017 | 58.303 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | GLU | -1 | -0.830 | -0.931 | 58.154 | -5.130 | -5.130 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | ALA | 0 | -0.053 | -0.016 | 54.682 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | ASP | -1 | -0.789 | -0.906 | 53.828 | -5.692 | -5.692 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | ALA | 0 | 0.012 | -0.001 | 53.598 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | GLU | -1 | -0.772 | -0.836 | 52.176 | -5.907 | -5.907 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | VAL | 0 | 0.005 | 0.011 | 48.264 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | ILE | 0 | 0.002 | 0.006 | 49.007 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | ALA | 0 | 0.005 | 0.002 | 50.022 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | LEU | 0 | -0.049 | -0.008 | 45.644 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | ALA | 0 | 0.024 | 0.001 | 45.486 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | SER | 0 | -0.001 | -0.002 | 45.747 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | SER | 0 | -0.014 | 0.007 | 47.450 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | ILE | 0 | -0.024 | -0.015 | 41.437 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | LEU | 0 | -0.008 | -0.009 | 42.098 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | ASP | -1 | -0.815 | -0.893 | 44.045 | -6.386 | -6.386 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | ARG | 1 | 0.903 | 0.956 | 44.073 | 6.505 | 6.505 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | LEU | 0 | -0.043 | -0.009 | 38.117 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | GLY | 0 | -0.014 | -0.013 | 40.502 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | LEU | 0 | -0.042 | -0.023 | 39.399 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | GLN | 0 | 0.024 | 0.026 | 43.516 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | ASP | -1 | -0.933 | -0.972 | 46.981 | -6.186 | -6.186 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | ILE | 0 | -0.018 | -0.002 | 42.219 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | TYR | 0 | -0.102 | -0.083 | 45.403 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | GLU | -1 | -0.854 | -0.932 | 47.246 | -5.716 | -5.716 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | ILE | 0 | 0.002 | 0.011 | 49.000 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | ARG | 1 | 0.805 | 0.918 | 50.202 | 6.209 | 6.209 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | ILE | 0 | 0.023 | 0.002 | 51.278 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | ASN | 0 | 0.052 | 0.030 | 53.684 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | SER | 0 | -0.004 | -0.043 | 55.219 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | ARG | 1 | 0.928 | 0.993 | 54.505 | 5.723 | 5.723 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | LYS | 1 | 0.958 | 0.989 | 56.726 | 5.297 | 5.297 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | ILE | 0 | 0.056 | 0.023 | 59.193 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | MET | 0 | -0.040 | 0.010 | 55.944 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | GLU | -1 | -0.942 | -0.981 | 59.109 | -5.245 | -5.245 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | GLU | -1 | -0.914 | -0.918 | 61.283 | -4.736 | -4.736 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | ILE | 0 | -0.019 | -0.015 | 61.489 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | ILE | 0 | -0.027 | -0.006 | 59.402 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | GLY | 0 | 0.028 | 0.014 | 62.820 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | GLY | 0 | -0.079 | -0.033 | 65.331 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | MET | 0 | -0.069 | -0.021 | 62.858 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | THR | 0 | -0.005 | -0.001 | 63.025 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | SER | 0 | -0.013 | 0.003 | 66.145 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | SER | 0 | -0.089 | -0.032 | 62.686 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | ASP | -1 | -0.807 | -0.932 | 57.409 | -5.472 | -5.472 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | PRO | 0 | 0.076 | 0.062 | 58.928 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | PHE | 0 | 0.029 | 0.004 | 52.976 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | SER | 0 | -0.060 | -0.037 | 54.457 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | VAL | 0 | 0.053 | 0.010 | 55.706 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | PHE | 0 | 0.015 | 0.003 | 53.245 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | SER | 0 | -0.017 | -0.011 | 51.103 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | ILE | 0 | -0.035 | -0.007 | 51.236 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | ILE | 0 | -0.013 | 0.002 | 52.703 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | ASP | -1 | -0.907 | -0.958 | 47.301 | -6.685 | -6.685 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | ARG | 1 | 0.801 | 0.898 | 48.216 | 5.949 | 5.949 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | TYR | 0 | 0.049 | 0.034 | 49.616 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | HIS | 0 | -0.021 | -0.010 | 47.094 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | LYS | 1 | 0.867 | 0.929 | 42.851 | 6.884 | 6.884 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | ILE | 0 | 0.022 | 0.034 | 47.251 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | SER | 0 | 0.040 | 0.031 | 50.335 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ARG | 1 | 0.928 | 0.945 | 53.186 | 5.444 | 5.444 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | GLU | -1 | -0.946 | -0.980 | 56.237 | -5.255 | -5.255 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | GLU | -1 | -0.876 | -0.934 | 52.287 | -5.952 | -5.952 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | PHE | 0 | -0.033 | -0.036 | 54.419 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | VAL | 0 | 0.010 | 0.003 | 56.318 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | ASP | -1 | -0.879 | -0.931 | 58.722 | -5.162 | -5.162 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | GLN | 0 | 0.030 | 0.014 | 52.638 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | LEU | 0 | -0.014 | -0.008 | 57.495 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | ARG | 1 | 0.868 | 0.930 | 60.327 | 4.965 | 4.965 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | SER | 0 | -0.077 | -0.040 | 60.230 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | ALA | 0 | -0.051 | -0.018 | 60.118 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | GLY | 0 | -0.018 | -0.012 | 62.186 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | ILE | 0 | -0.027 | 0.011 | 61.704 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | GLY | 0 | 0.026 | 0.010 | 65.789 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | GLU | -1 | -0.820 | -0.946 | 67.009 | -4.801 | -4.801 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | ASP | -1 | -0.953 | -0.965 | 67.582 | -4.503 | -4.503 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | GLY | 0 | 0.075 | 0.004 | 65.928 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | VAL | 0 | -0.025 | -0.011 | 62.378 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | SER | 0 | -0.042 | -0.020 | 62.670 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | MET | 0 | 0.023 | 0.022 | 63.670 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | ILE | 0 | 0.024 | 0.014 | 58.504 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | ALA | 0 | 0.010 | 0.004 | 58.705 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | ASP | -1 | -0.894 | -0.906 | 58.838 | -5.095 | -5.095 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | LEU | 0 | 0.024 | -0.005 | 59.057 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | CYS | 0 | -0.087 | -0.029 | 54.703 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | SER | 0 | -0.094 | -0.070 | 54.589 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | GLY | 0 | -0.016 | -0.005 | 55.997 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | THR | 0 | 0.019 | 0.038 | 54.069 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | ARG | 1 | 0.780 | 0.871 | 57.106 | 5.050 | 5.050 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | GLY | 0 | 0.022 | 0.019 | 59.492 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | ILE | 0 | 0.035 | 0.006 | 58.955 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | ASP | -1 | -0.919 | -0.952 | 62.587 | -4.731 | -4.731 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | GLU | -1 | -0.877 | -0.957 | 63.688 | -4.859 | -4.859 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | MET | 0 | 0.044 | 0.039 | 61.747 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | ALA | 0 | 0.038 | 0.033 | 65.257 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | ARG | 1 | 0.912 | 0.953 | 68.513 | 4.517 | 4.517 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | ILE | 0 | -0.047 | -0.020 | 64.584 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | THR | 0 | -0.009 | -0.010 | 64.840 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | GLY | 0 | -0.040 | -0.018 | 67.926 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | LYS | 1 | 0.929 | 0.964 | 69.280 | 4.581 | 4.581 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | SER | 0 | -0.011 | -0.013 | 69.529 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | SER | 0 | -0.041 | -0.042 | 67.053 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | GLU | -1 | -0.911 | -0.965 | 67.249 | -4.584 | -4.584 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | GLU | -1 | -0.832 | -0.926 | 60.315 | -5.224 | -5.224 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | ILE | 0 | 0.011 | -0.005 | 62.997 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | ALA | 0 | 0.012 | 0.014 | 64.498 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ARG | 1 | 0.864 | 0.948 | 58.143 | 5.238 | 5.238 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | MET | 0 | -0.013 | -0.010 | 59.302 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | ALA | 0 | 0.043 | 0.034 | 60.973 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | ALA | 0 | 0.007 | 0.010 | 63.293 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | VAL | 0 | -0.035 | -0.023 | 56.771 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | GLU | -1 | -0.921 | -0.968 | 59.179 | -5.163 | -5.163 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | ASP | -1 | -0.909 | -0.965 | 60.207 | -4.832 | -4.832 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | LEU | 0 | -0.038 | -0.022 | 59.614 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | LEU | 0 | -0.005 | 0.018 | 54.305 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | ALA | 0 | 0.030 | 0.028 | 57.645 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | SER | 0 | -0.132 | -0.076 | 59.993 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | TYR | 0 | 0.004 | -0.010 | 55.183 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | GLY | 0 | -0.067 | -0.036 | 55.690 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | VAL | 0 | -0.003 | 0.006 | 52.988 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | LYS | 1 | 0.938 | 0.957 | 55.457 | 5.443 | 5.443 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | ASN | 0 | -0.062 | -0.034 | 55.773 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | VAL | 0 | 0.043 | 0.039 | 54.995 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | ARG | 1 | 0.831 | 0.912 | 54.713 | 5.447 | 5.447 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | TYR | 0 | 0.056 | 0.020 | 55.490 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | ASP | -1 | -0.810 | -0.875 | 51.977 | -5.919 | -5.919 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | PHE | 0 | 0.069 | 0.010 | 54.452 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | SER | 0 | -0.053 | -0.091 | 51.824 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | ILE | 0 | -0.044 | 0.000 | 48.839 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | VAL | 0 | 0.040 | 0.007 | 50.332 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | ARG | 1 | 0.939 | 0.963 | 41.378 | 7.095 | 7.095 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | GLY | 0 | 0.033 | 0.018 | 47.195 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | LEU | 0 | 0.016 | 0.026 | 47.726 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | SER | 0 | -0.041 | -0.012 | 48.991 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | TYR | 0 | -0.061 | -0.035 | 45.849 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | TYR | 0 | 0.009 | -0.004 | 45.293 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | THR | 0 | -0.020 | -0.019 | 51.292 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | GLY | 0 | -0.023 | -0.017 | 54.232 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | ILE | 0 | 0.018 | 0.019 | 53.413 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | VAL | 0 | 0.016 | 0.003 | 50.000 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | PHE | 0 | -0.026 | -0.023 | 47.534 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | GLU | -1 | -0.889 | -0.956 | 45.862 | -6.853 | -6.853 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | ALA | 0 | 0.006 | 0.024 | 44.566 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | TYR | 0 | -0.010 | -0.017 | 44.771 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | ASP | -1 | -0.668 | -0.819 | 42.582 | -7.108 | -7.108 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | ARG | 1 | 0.905 | 0.954 | 45.074 | 6.075 | 6.075 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | SER | 0 | -0.080 | -0.037 | 43.526 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | GLY | 0 | -0.040 | -0.013 | 44.444 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | GLN | 0 | -0.037 | 0.000 | 36.340 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | PHE | 0 | -0.031 | -0.034 | 35.769 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | ARG | 1 | 0.883 | 0.933 | 40.950 | 6.805 | 6.805 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | ALA | 0 | 0.048 | 0.022 | 42.083 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | ILE | 0 | -0.032 | -0.001 | 39.904 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | LEU | 0 | -0.023 | -0.016 | 39.846 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | GLY | 0 | 0.043 | 0.014 | 42.053 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | GLY | 0 | -0.021 | 0.006 | 44.040 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | GLY | 0 | 0.048 | 0.031 | 46.373 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | ARG | 1 | 0.786 | 0.901 | 49.411 | 5.550 | 5.550 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | TYR | 0 | -0.053 | -0.072 | 46.377 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | ASP | -1 | -0.804 | -0.885 | 51.221 | -5.715 | -5.715 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | ASN | 0 | -0.023 | -0.020 | 52.941 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | LEU | 0 | 0.013 | 0.019 | 45.572 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | ALA | 0 | 0.061 | 0.030 | 49.717 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | SER | 0 | 0.038 | 0.018 | 50.720 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | LEU | 0 | 0.003 | 0.012 | 50.494 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | MET | 0 | -0.055 | -0.012 | 43.671 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | SER | 0 | -0.031 | -0.010 | 49.013 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | GLY | 0 | -0.041 | -0.013 | 51.350 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | GLU | -1 | -0.962 | -0.999 | 53.744 | -5.675 | -5.675 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | SER | 0 | -0.034 | -0.020 | 54.209 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 305 | VAL | 0 | -0.037 | -0.040 | 52.070 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | PRO | 0 | -0.013 | 0.007 | 53.284 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 307 | ALA | 0 | 0.029 | 0.008 | 49.600 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 308 | VAL | 0 | 0.029 | 0.022 | 50.562 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 309 | GLY | 0 | 0.024 | 0.021 | 46.886 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 310 | PHE | 0 | -0.020 | -0.015 | 42.810 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | GLY | 0 | 0.003 | 0.001 | 40.590 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | MET | 0 | -0.011 | -0.012 | 37.572 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | GLY | 0 | 0.011 | 0.017 | 34.740 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | ASP | -1 | -0.680 | -0.853 | 29.671 | -9.972 | -9.972 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | ALA | 0 | -0.002 | 0.001 | 30.145 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 316 | VAL | 0 | 0.015 | 0.000 | 31.490 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 317 | ILE | 0 | 0.059 | 0.029 | 34.874 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 318 | SER | 0 | 0.024 | 0.010 | 30.028 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 319 | LEU | 0 | -0.071 | -0.047 | 30.732 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 320 | LEU | 0 | 0.017 | 0.016 | 33.802 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | LEU | 0 | 0.031 | 0.026 | 34.359 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | LYS | 1 | 0.914 | 0.965 | 28.812 | 9.975 | 9.975 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | ARG | 1 | 0.686 | 0.809 | 34.598 | 7.537 | 7.537 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 324 | GLU | -1 | -0.847 | -0.920 | 37.234 | -7.112 | -7.112 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 325 | ASN | 0 | -0.079 | -0.035 | 36.638 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 326 | VAL | 0 | 0.042 | 0.026 | 37.790 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 327 | GLN | 0 | -0.109 | -0.055 | 37.012 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 328 | ILE | 0 | 0.004 | 0.008 | 33.228 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 329 | PRO | 0 | -0.029 | -0.014 | 36.578 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 330 | ARG | 1 | 0.915 | 0.951 | 34.048 | 8.237 | 8.237 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 331 | GLU | -1 | -0.940 | -0.964 | 35.643 | -8.113 | -8.113 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 332 | LYS | 1 | 0.902 | 0.949 | 36.778 | 8.155 | 8.155 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 333 | LYS | 1 | 0.888 | 0.951 | 37.147 | 6.905 | 6.905 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 334 | SER | 0 | -0.051 | -0.032 | 32.249 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 335 | VAL | 0 | 0.019 | 0.006 | 34.876 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 336 | TYR | 0 | -0.024 | -0.061 | 28.296 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 337 | ILE | 0 | 0.001 | 0.008 | 32.771 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 338 | CYS | 0 | -0.047 | -0.012 | 31.966 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 339 | ARG | 1 | 0.978 | 0.976 | 28.906 | 10.091 | 10.091 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 340 | VAL | 0 | 0.002 | 0.013 | 33.759 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 341 | GLY | 0 | 0.020 | 0.009 | 35.414 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 342 | LYS | 1 | 0.860 | 0.938 | 36.234 | 7.693 | 7.693 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 343 | ILE | 0 | 0.048 | 0.021 | 36.221 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 344 | ASN | 0 | 0.003 | 0.008 | 35.655 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 345 | SER | 0 | 0.076 | 0.014 | 31.302 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 346 | SER | 0 | -0.002 | 0.001 | 34.347 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 347 | ILE | 0 | 0.072 | 0.059 | 36.984 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 348 | MET | 0 | -0.007 | 0.007 | 32.063 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 349 | ASN | 0 | -0.006 | -0.012 | 32.936 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 350 | GLU | -1 | -0.920 | -0.962 | 35.917 | -7.321 | -7.321 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 351 | TYR | 0 | 0.008 | -0.022 | 39.395 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 352 | SER | 0 | 0.004 | 0.020 | 35.161 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 353 | ARG | 1 | 0.924 | 0.971 | 37.219 | 7.458 | 7.458 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 354 | LYS | 1 | 0.916 | 0.963 | 38.656 | 7.251 | 7.251 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 355 | LEU | 0 | 0.001 | 0.010 | 38.864 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 356 | ARG | 1 | 0.889 | 0.939 | 31.959 | 9.012 | 9.012 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 357 | GLU | -1 | -0.959 | -0.983 | 38.753 | -7.220 | -7.220 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 358 | ARG | 1 | 0.862 | 0.939 | 41.898 | 6.663 | 6.663 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 359 | GLY | 0 | 0.018 | 0.020 | 41.046 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 360 | MET | 0 | -0.031 | -0.004 | 38.673 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 361 | ASN | 0 | 0.025 | 0.016 | 33.182 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 362 | VAL | 0 | -0.018 | -0.015 | 33.868 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 363 | THR | 0 | 0.015 | 0.015 | 27.763 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 364 | VAL | 0 | -0.010 | -0.011 | 30.074 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 365 | GLU | -1 | -0.738 | -0.805 | 26.277 | -11.405 | -11.405 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 366 | ILE | 0 | -0.014 | -0.020 | 23.550 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 367 | MET | 0 | -0.063 | -0.029 | 19.893 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 368 | GLU | -1 | -0.934 | -0.962 | 24.868 | -9.724 | -9.724 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 369 | ARG | 1 | 0.843 | 0.899 | 22.378 | 11.443 | 11.443 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 370 | GLY | 0 | 0.049 | 0.027 | 27.112 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 371 | LEU | 0 | 0.076 | 0.032 | 29.662 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 372 | SER | 0 | 0.025 | -0.005 | 30.570 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 373 | ALA | 0 | 0.001 | 0.003 | 25.740 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 374 | GLN | 0 | 0.046 | 0.018 | 27.248 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 375 | LEU | 0 | 0.008 | 0.005 | 29.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 376 | LYS | 1 | 0.947 | 0.984 | 26.034 | 10.211 | 10.211 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 377 | TYR | 0 | -0.003 | -0.001 | 22.733 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 378 | ALA | 0 | 0.032 | 0.006 | 26.924 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 379 | SER | 0 | -0.055 | -0.024 | 29.842 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 380 | ALA | 0 | -0.001 | 0.004 | 25.005 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 381 | ILE | 0 | -0.037 | -0.013 | 25.603 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 382 | GLY | 0 | 0.034 | 0.026 | 27.860 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 383 | ALA | 0 | -0.061 | -0.029 | 31.338 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 384 | ASP | -1 | -0.766 | -0.880 | 33.274 | -7.970 | -7.970 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 385 | PHE | 0 | -0.048 | -0.031 | 36.700 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 386 | ALA | 0 | 0.017 | 0.009 | 35.030 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 387 | VAL | 0 | -0.039 | -0.019 | 36.467 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 388 | ILE | 0 | -0.009 | -0.031 | 36.684 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 389 | PHE | 0 | 0.022 | 0.003 | 37.458 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 390 | GLY | 0 | 0.066 | 0.016 | 38.170 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 391 | GLU | -1 | -0.869 | -0.957 | 40.265 | -7.446 | -7.446 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 392 | ARG | 1 | 0.989 | 0.985 | 41.965 | 6.894 | 6.894 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 393 | ASP | -1 | -0.942 | -0.970 | 43.869 | -6.759 | -6.759 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 394 | LEU | 0 | 0.020 | 0.007 | 41.872 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 395 | GLU | -1 | -0.921 | -0.950 | 45.245 | -6.437 | -6.437 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 396 | ARG | 1 | 0.860 | 0.932 | 47.668 | 6.437 | 6.437 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 397 | GLY | 0 | 0.018 | 0.016 | 48.347 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 398 | VAL | 0 | -0.060 | -0.020 | 46.465 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 399 | VAL | 0 | -0.020 | -0.004 | 41.151 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 400 | THR | 0 | 0.011 | 0.014 | 41.375 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 401 | ILE | 0 | -0.010 | 0.005 | 40.893 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 402 | ARG | 1 | 0.891 | 0.967 | 36.656 | 7.961 | 7.961 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 403 | ASN | 0 | 0.009 | 0.029 | 39.557 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 404 | MET | 0 | -0.044 | -0.031 | 33.228 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 405 | TYR | 0 | 0.020 | 0.023 | 35.983 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 406 | THR | 0 | -0.049 | -0.006 | 39.295 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 407 | GLY | 0 | 0.028 | -0.010 | 39.653 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 408 | SER | 0 | -0.036 | -0.030 | 40.648 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 409 | GLN | 0 | 0.000 | -0.040 | 40.222 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 410 | GLU | -1 | -0.894 | -0.920 | 43.932 | -6.092 | -6.092 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 411 | ASN | 0 | -0.029 | -0.017 | 45.408 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 412 | VAL | 0 | 0.005 | -0.006 | 45.824 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 413 | GLY | 0 | 0.077 | 0.045 | 46.959 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 414 | LEU | 0 | 0.000 | -0.018 | 44.385 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 415 | ASP | -1 | -0.931 | -0.961 | 46.999 | -6.070 | -6.070 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 416 | SER | 0 | 0.009 | -0.012 | 49.048 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 417 | VAL | 0 | -0.057 | -0.014 | 42.293 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 418 | VAL | 0 | 0.006 | -0.019 | 43.685 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 419 | GLU | -1 | -0.851 | -0.935 | 45.261 | -6.225 | -6.225 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 420 | HIS | 0 | 0.036 | 0.037 | 45.230 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 421 | LEU | 0 | 0.000 | -0.004 | 40.586 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 422 | ILE | 0 | -0.067 | -0.039 | 44.401 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 423 | SER | 0 | -0.047 | -0.012 | 45.909 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 424 | GLN | 0 | 0.034 | 0.029 | 44.552 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 425 | ALA | 0 | 0.024 | 0.003 | 44.769 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 426 | THR | 0 | -0.043 | -0.021 | 40.070 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |