FMODB ID: ZV66N
Calculation Name: 2ODR-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2ODR
Chain ID: D
UniProt ID: Q6LZE1
Base Structure: X-ray
Registration Date: 2023-09-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 451 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5917373.190415 |
---|---|
FMO2-HF: Nuclear repulsion | 5754020.140741 |
FMO2-HF: Total energy | -163353.049673 |
FMO2-MP2: Total energy | -163828.617361 |
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(D:4:ARG)
Summations of interaction energy for
fragment #1(D:4: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. |
-3.504 | 4.716 | 1.168 | -3.648 | -5.741 | -0.027 |
Interaction energy analysis for fragmet #1(D:4: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 | D | 6 | GLU | -1 | -0.919 | -0.953 | 2.697 | -38.717 | -32.818 | 0.525 | -2.940 | -3.484 | -0.025 |
4 | D | 7 | ILE | 0 | 0.013 | 0.007 | 2.743 | 3.245 | 4.600 | 0.489 | -0.481 | -1.363 | -0.001 |
5 | D | 8 | ILE | 0 | -0.012 | 0.000 | 2.885 | 3.890 | 4.856 | 0.154 | -0.227 | -0.894 | -0.001 |
6 | D | 9 | GLU | -1 | -0.882 | -0.934 | 6.235 | -22.195 | -22.195 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | D | 10 | MET | 0 | -0.016 | -0.001 | 7.492 | 3.772 | 3.772 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 11 | ALA | 0 | 0.021 | -0.005 | 8.893 | 2.537 | 2.537 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 12 | ASN | 0 | -0.056 | -0.034 | 9.422 | 2.410 | 2.410 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 13 | LYS | 1 | 0.782 | 0.893 | 10.880 | 24.515 | 24.515 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 14 | ASP | -1 | -0.813 | -0.897 | 13.466 | -15.361 | -15.361 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 15 | PHE | 0 | 0.036 | 0.020 | 12.017 | -0.990 | -0.990 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 16 | GLU | -1 | -0.930 | -0.956 | 13.336 | -15.049 | -15.049 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 17 | LYS | 1 | 0.875 | 0.912 | 12.498 | 16.877 | 16.877 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 18 | ALA | 0 | 0.007 | 0.019 | 9.184 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 19 | TRP | 0 | -0.052 | -0.007 | 9.785 | -1.183 | -1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 20 | ILE | 0 | -0.009 | -0.009 | 12.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 21 | GLU | -1 | -0.909 | -0.974 | 11.213 | -18.107 | -18.107 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 22 | THR | 0 | -0.054 | -0.035 | 7.797 | -1.720 | -1.720 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 23 | LYS | 1 | 0.821 | 0.901 | 9.301 | 15.539 | 15.539 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 24 | ASP | -1 | -0.835 | -0.906 | 12.354 | -16.194 | -16.194 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 25 | LEU | 0 | -0.023 | -0.009 | 5.662 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 26 | ILE | 0 | -0.055 | -0.015 | 9.829 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 27 | LYS | 1 | 0.935 | 0.965 | 11.623 | 20.958 | 20.958 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 28 | ALA | 0 | 0.034 | 0.023 | 14.887 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 29 | LYS | 1 | 0.925 | 0.965 | 18.488 | 13.076 | 13.076 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 30 | LYS | 1 | 0.909 | 0.941 | 20.713 | 12.175 | 12.175 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 31 | ILE | 0 | 0.072 | 0.046 | 23.677 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 32 | ASN | 0 | 0.040 | 0.005 | 26.873 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 33 | GLU | -1 | -0.857 | -0.912 | 23.573 | -11.679 | -11.679 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 34 | SER | 0 | -0.001 | -0.006 | 24.737 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 35 | TYR | 0 | 0.048 | 0.004 | 25.777 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 36 | PRO | 0 | 0.029 | 0.028 | 27.258 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 37 | ARG | 1 | 0.830 | 0.921 | 29.193 | 9.642 | 9.642 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 38 | ILE | 0 | -0.063 | -0.008 | 24.128 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 39 | LYS | 1 | 1.000 | 1.005 | 28.500 | 9.130 | 9.130 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 40 | PRO | 0 | 0.010 | -0.005 | 29.100 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 41 | VAL | 0 | -0.038 | -0.016 | 29.380 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 42 | PHE | 0 | 0.035 | 0.014 | 29.758 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 43 | GLY | 0 | 0.032 | 0.019 | 32.146 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 44 | LYS | 1 | 0.865 | 0.932 | 35.126 | 8.467 | 8.467 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 45 | THR | 0 | -0.006 | -0.026 | 38.506 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 46 | HIS | 0 | -0.022 | -0.005 | 41.994 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 47 | PRO | 0 | 0.096 | 0.057 | 45.742 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 48 | VAL | 0 | -0.001 | 0.003 | 47.750 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 49 | ASN | 0 | 0.001 | -0.007 | 46.268 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 50 | ASP | -1 | -0.787 | -0.869 | 43.963 | -7.176 | -7.176 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 51 | THR | 0 | -0.035 | -0.027 | 46.579 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 52 | ILE | 0 | -0.007 | -0.010 | 50.023 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 53 | GLU | -1 | -0.803 | -0.873 | 44.782 | -6.829 | -6.829 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 54 | ASN | 0 | -0.041 | -0.045 | 45.561 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 55 | LEU | 0 | 0.001 | 0.004 | 48.942 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 56 | ARG | 1 | 0.771 | 0.833 | 47.122 | 6.643 | 6.643 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 57 | GLN | 0 | -0.045 | -0.017 | 45.842 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 58 | ALA | 0 | 0.003 | 0.010 | 49.736 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 59 | TYR | 0 | 0.064 | 0.001 | 52.583 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 60 | LEU | 0 | -0.014 | 0.000 | 49.906 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 61 | ARG | 1 | 0.868 | 0.935 | 45.405 | 6.786 | 6.786 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 62 | MET | 0 | -0.078 | 0.004 | 52.484 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 63 | GLY | 0 | -0.006 | -0.005 | 55.219 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 64 | PHE | 0 | -0.046 | -0.034 | 56.621 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 65 | GLU | -1 | -0.812 | -0.895 | 56.067 | -5.499 | -5.499 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 66 | GLU | -1 | -0.803 | -0.868 | 51.992 | -6.161 | -6.161 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 67 | TYR | 0 | 0.029 | 0.007 | 56.142 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 68 | ILE | 0 | 0.002 | 0.015 | 54.893 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 69 | ASN | 0 | 0.023 | 0.043 | 59.233 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 70 | PRO | 0 | 0.033 | 0.006 | 62.366 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 71 | VAL | 0 | 0.029 | 0.018 | 60.267 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 72 | ILE | 0 | -0.041 | -0.015 | 63.709 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 73 | VAL | 0 | -0.001 | -0.002 | 66.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 74 | ASP | -1 | -0.778 | -0.890 | 70.285 | -4.217 | -4.217 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 75 | GLU | -1 | -0.724 | -0.839 | 73.858 | -4.079 | -4.079 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 76 | ARG | 1 | 0.883 | 0.933 | 76.427 | 4.133 | 4.133 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 77 | ASP | -1 | -0.790 | -0.863 | 73.882 | -4.311 | -4.311 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 78 | ILE | 0 | 0.039 | 0.029 | 72.390 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 79 | TYR | 0 | 0.013 | -0.012 | 75.811 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 80 | LYS | 1 | 0.781 | 0.912 | 75.978 | 4.286 | 4.286 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 81 | GLN | 0 | -0.026 | -0.023 | 71.951 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 82 | PHE | 0 | 0.006 | 0.003 | 72.267 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 83 | GLY | 0 | 0.017 | 0.020 | 78.352 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 84 | PRO | 0 | -0.005 | -0.020 | 82.043 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 85 | GLU | -1 | -0.780 | -0.879 | 78.459 | -4.081 | -4.081 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 86 | ALA | 0 | -0.005 | 0.004 | 77.951 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 87 | MET | 0 | 0.005 | 0.004 | 78.177 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 88 | ALA | 0 | 0.014 | 0.010 | 77.925 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 89 | VAL | 0 | -0.026 | -0.005 | 72.862 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 90 | LEU | 0 | 0.030 | 0.013 | 74.041 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 91 | ASP | -1 | -0.808 | -0.886 | 75.257 | -4.187 | -4.187 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 92 | ARG | 1 | 0.760 | 0.863 | 71.646 | 4.260 | 4.260 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 93 | CYS | 0 | 0.001 | 0.017 | 70.571 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 94 | PHE | 0 | 0.002 | -0.008 | 66.205 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 95 | TYR | 0 | -0.036 | -0.034 | 69.900 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 96 | LEU | 0 | 0.010 | 0.008 | 66.325 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 97 | ALA | 0 | 0.000 | 0.004 | 69.843 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 98 | GLY | 0 | 0.013 | 0.011 | 69.711 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 99 | LEU | 0 | -0.016 | -0.003 | 69.457 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 100 | PRO | 0 | 0.019 | 0.025 | 72.575 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 101 | ARG | 1 | 0.811 | 0.853 | 68.472 | 4.550 | 4.550 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 171 | PHE | 0 | -0.028 | -0.021 | 76.110 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 172 | LYS | 1 | 0.849 | 0.920 | 68.556 | 4.602 | 4.602 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 173 | ASP | -1 | -0.870 | -0.944 | 73.177 | -4.314 | -4.314 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 174 | LEU | 0 | -0.050 | 0.001 | 74.041 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 175 | THR | 0 | -0.005 | -0.004 | 74.003 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 176 | ALA | 0 | -0.033 | -0.016 | 71.999 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 177 | VAL | 0 | 0.015 | 0.001 | 74.077 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 178 | SER | 0 | -0.017 | -0.016 | 74.505 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 179 | SER | 0 | 0.019 | -0.022 | 72.664 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 180 | LYS | 1 | 0.812 | 0.889 | 75.217 | 4.063 | 4.063 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 181 | LEU | 0 | 0.010 | 0.032 | 69.683 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 182 | THR | 0 | 0.015 | -0.005 | 70.750 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 183 | LEU | 0 | -0.029 | -0.003 | 64.082 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 184 | ARG | 1 | 0.779 | 0.861 | 60.746 | 5.215 | 5.215 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 185 | SER | 0 | 0.067 | 0.033 | 65.295 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 186 | HIS | 0 | 0.011 | 0.023 | 66.100 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 187 | MET | 0 | 0.048 | 0.021 | 60.316 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 188 | THR | 0 | -0.009 | 0.009 | 65.150 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 189 | SER | 0 | -0.022 | -0.025 | 68.364 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 190 | GLY | 0 | 0.016 | 0.005 | 66.144 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 191 | TRP | 0 | 0.002 | -0.012 | 61.101 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 192 | PHE | 0 | 0.001 | 0.002 | 67.343 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 193 | LEU | 0 | -0.010 | -0.002 | 68.974 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 194 | THR | 0 | -0.025 | -0.040 | 63.944 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 195 | VAL | 0 | -0.004 | -0.012 | 67.295 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 196 | SER | 0 | -0.027 | -0.017 | 69.085 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 197 | ASP | -1 | -0.853 | -0.914 | 68.440 | -4.665 | -4.665 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 198 | LEU | 0 | -0.007 | -0.005 | 64.416 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 199 | MET | 0 | 0.016 | 0.021 | 68.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 200 | ASN | 0 | -0.049 | -0.028 | 71.925 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 201 | LYS | 1 | 0.784 | 0.903 | 68.019 | 4.652 | 4.652 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 202 | LYS | 1 | 0.783 | 0.883 | 61.361 | 5.177 | 5.177 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 203 | PRO | 0 | 0.000 | 0.003 | 65.151 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 204 | LEU | 0 | 0.018 | 0.014 | 66.881 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 205 | PRO | 0 | 0.009 | -0.005 | 66.293 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 206 | PHE | 0 | 0.002 | -0.012 | 64.112 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 207 | LYS | 1 | 0.896 | 0.959 | 59.939 | 5.402 | 5.402 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 208 | LEU | 0 | 0.006 | 0.021 | 60.839 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 209 | PHE | 0 | 0.023 | -0.006 | 53.190 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 210 | SER | 0 | -0.007 | -0.026 | 57.376 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 211 | ILE | 0 | -0.028 | -0.008 | 53.415 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 212 | ASP | -1 | -0.770 | -0.853 | 55.262 | -5.585 | -5.585 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 213 | ARG | 1 | 0.898 | 0.938 | 54.546 | 5.728 | 5.728 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 214 | CYS | 0 | -0.049 | 0.004 | 58.715 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 215 | PHE | 0 | 0.004 | -0.014 | 60.302 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 216 | ARG | 1 | 0.920 | 0.945 | 64.472 | 4.648 | 4.648 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 217 | ARG | 1 | 0.807 | 0.917 | 66.983 | 4.290 | 4.290 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 218 | GLU | -1 | -0.841 | -0.916 | 66.322 | -4.594 | -4.594 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 219 | GLN | 0 | -0.003 | -0.007 | 69.121 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 220 | LYS | 1 | 0.940 | 0.963 | 67.347 | 4.618 | 4.618 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 221 | GLU | -1 | -0.799 | -0.865 | 61.182 | -5.212 | -5.212 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 222 | ASP | -1 | -0.807 | -0.897 | 63.620 | -4.791 | -4.791 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 223 | LYS | 1 | 0.873 | 0.926 | 59.726 | 5.173 | 5.173 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 224 | SER | 0 | -0.069 | -0.042 | 60.790 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 225 | HIS | 1 | 0.856 | 0.919 | 63.079 | 4.832 | 4.832 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 226 | LEU | 0 | 0.006 | 0.011 | 57.822 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 227 | MET | 0 | 0.006 | -0.001 | 62.315 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 228 | THR | 0 | -0.070 | -0.044 | 59.061 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 229 | TYR | 0 | -0.041 | -0.013 | 58.548 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 230 | HIS | 1 | 0.859 | 0.886 | 53.308 | 5.805 | 5.805 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 231 | SER | 0 | -0.026 | -0.015 | 58.115 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 232 | ALA | 0 | 0.044 | 0.029 | 56.617 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 233 | SER | 0 | -0.070 | -0.047 | 58.473 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 234 | CYS | 0 | -0.001 | 0.018 | 60.301 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 235 | ALA | 0 | 0.030 | 0.015 | 62.288 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 236 | ILE | 0 | 0.010 | 0.016 | 63.750 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 237 | ALA | 0 | 0.010 | 0.014 | 66.685 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 238 | GLY | 0 | 0.039 | -0.004 | 69.087 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 239 | GLU | -1 | -0.863 | -0.937 | 71.420 | -4.190 | -4.190 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 240 | GLY | 0 | -0.036 | -0.014 | 73.014 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 241 | VAL | 0 | -0.063 | -0.006 | 69.792 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 242 | ASP | -1 | -0.771 | -0.881 | 71.490 | -4.318 | -4.318 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 243 | ILE | 0 | -0.042 | -0.041 | 71.171 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 244 | ASN | 0 | -0.049 | -0.047 | 70.368 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 245 | ASP | -1 | -0.799 | -0.890 | 67.185 | -4.811 | -4.811 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 246 | GLY | 0 | 0.019 | -0.016 | 65.996 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 247 | LYS | 1 | 0.838 | 0.919 | 65.799 | 4.420 | 4.420 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 248 | ALA | 0 | 0.070 | 0.038 | 64.012 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 249 | ILE | 0 | -0.023 | -0.013 | 61.212 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 250 | ALA | 0 | -0.002 | -0.008 | 60.798 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 251 | GLU | -1 | -0.921 | -0.959 | 60.654 | -5.193 | -5.193 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 252 | GLY | 0 | 0.018 | 0.023 | 58.238 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 253 | LEU | 0 | -0.006 | -0.007 | 55.839 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 254 | LEU | 0 | -0.013 | -0.014 | 55.643 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 255 | SER | 0 | -0.021 | -0.027 | 55.926 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 256 | GLN | 0 | -0.064 | -0.037 | 51.901 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 257 | PHE | 0 | -0.018 | -0.010 | 51.025 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 258 | GLY | 0 | -0.045 | -0.025 | 52.446 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 259 | PHE | 0 | -0.037 | -0.017 | 53.246 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 260 | THR | 0 | -0.018 | -0.027 | 56.500 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 261 | ASN | 0 | -0.006 | -0.004 | 58.806 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 262 | PHE | 0 | 0.043 | 0.022 | 59.044 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 263 | LYS | 1 | 0.903 | 0.967 | 64.883 | 4.734 | 4.734 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 264 | PHE | 0 | 0.039 | 0.010 | 65.491 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 265 | ILE | 0 | 0.016 | 0.022 | 70.203 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 266 | PRO | 0 | 0.005 | -0.006 | 72.823 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 267 | ASP | -1 | -0.795 | -0.886 | 73.462 | -4.343 | -4.343 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 268 | GLU | -1 | -0.918 | -0.966 | 75.444 | -4.008 | -4.008 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 269 | LYS | 1 | 0.739 | 0.854 | 72.243 | 4.466 | 4.466 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 270 | LYS | 1 | 0.887 | 0.951 | 77.790 | 4.045 | 4.045 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 271 | SER | 0 | 0.003 | 0.011 | 75.712 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 272 | LYS | 1 | 0.853 | 0.903 | 77.629 | 3.934 | 3.934 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 273 | TYR | 0 | -0.003 | 0.009 | 70.995 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 274 | TYR | 0 | -0.037 | -0.015 | 69.607 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 275 | THR | 0 | 0.029 | 0.002 | 76.485 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 276 | PRO | 0 | 0.004 | -0.008 | 78.665 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 277 | GLU | -1 | -0.939 | -0.961 | 79.906 | -3.894 | -3.894 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 278 | THR | 0 | -0.035 | -0.004 | 74.178 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 279 | GLN | 0 | 0.024 | 0.028 | 73.017 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 280 | THR | 0 | -0.058 | -0.032 | 69.983 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 281 | GLU | -1 | -0.792 | -0.865 | 68.788 | -4.576 | -4.576 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 282 | VAL | 0 | -0.044 | -0.030 | 63.831 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 283 | TYR | 0 | -0.012 | -0.036 | 65.255 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 284 | ALA | 0 | 0.009 | -0.011 | 60.854 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 285 | TYR | 0 | -0.027 | -0.006 | 59.517 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 286 | HIS | 0 | 0.059 | 0.025 | 53.488 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 287 | PRO | 0 | -0.008 | -0.011 | 54.914 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 288 | LYS | 1 | 0.886 | 0.936 | 49.187 | 6.252 | 6.252 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 289 | LEU | 0 | 0.035 | 0.029 | 54.225 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 290 | LYS | 1 | 0.911 | 0.969 | 57.086 | 5.232 | 5.232 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 291 | GLU | -1 | -0.899 | -0.942 | 59.520 | -5.076 | -5.076 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 292 | TRP | 0 | -0.054 | -0.043 | 61.433 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 293 | LEU | 0 | 0.026 | 0.011 | 59.400 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 294 | GLU | -1 | -0.823 | -0.877 | 63.275 | -4.900 | -4.900 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 295 | VAL | 0 | -0.049 | -0.029 | 59.115 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 296 | ALA | 0 | 0.023 | 0.011 | 61.806 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 297 | THR | 0 | -0.005 | -0.009 | 63.706 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 298 | PHE | 0 | -0.015 | 0.002 | 66.395 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 299 | GLY | 0 | 0.043 | 0.017 | 68.517 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 300 | VAL | 0 | 0.039 | 0.022 | 71.119 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 301 | TYR | 0 | -0.017 | -0.036 | 68.918 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 302 | SER | 0 | 0.012 | 0.013 | 74.771 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 303 | PRO | 0 | 0.094 | 0.037 | 78.507 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 304 | VAL | 0 | -0.008 | 0.017 | 80.341 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 305 | ALA | 0 | -0.029 | -0.020 | 77.063 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 306 | LEU | 0 | 0.006 | -0.006 | 74.001 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 307 | SER | 0 | 0.030 | 0.002 | 77.440 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 308 | LYS | 1 | 0.819 | 0.920 | 79.629 | 3.992 | 3.992 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 309 | TYR | 0 | -0.067 | -0.078 | 73.878 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 310 | GLY | 0 | 0.012 | 0.030 | 76.115 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 311 | ILE | 0 | -0.067 | -0.035 | 72.887 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 312 | ASP | -1 | -0.893 | -0.948 | 76.251 | -4.107 | -4.107 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 313 | VAL | 0 | -0.040 | -0.001 | 72.744 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 314 | PRO | 0 | 0.016 | 0.013 | 74.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 315 | VAL | 0 | 0.023 | -0.014 | 69.706 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 316 | MET | 0 | -0.056 | 0.027 | 65.913 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 317 | ASN | 0 | 0.003 | -0.009 | 65.827 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 318 | LEU | 0 | 0.041 | 0.019 | 61.395 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 319 | GLY | 0 | -0.013 | 0.000 | 62.814 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 320 | LEU | 0 | 0.034 | 0.011 | 57.427 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 321 | GLY | 0 | 0.047 | 0.029 | 59.486 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 322 | VAL | 0 | 0.001 | 0.001 | 53.510 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 323 | GLU | -1 | -0.755 | -0.877 | 54.974 | -5.724 | -5.724 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 324 | ARG | 1 | 0.810 | 0.901 | 56.008 | 4.996 | 4.996 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 325 | LEU | 0 | 0.045 | 0.025 | 53.479 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 326 | ALA | 0 | 0.009 | 0.027 | 51.646 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 327 | MET | 0 | -0.038 | -0.026 | 52.216 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 328 | ILE | 0 | -0.011 | 0.003 | 54.182 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 329 | SER | 0 | -0.066 | -0.054 | 50.598 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 330 | GLY | 0 | -0.004 | -0.006 | 49.128 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 331 | ASN | 0 | -0.052 | -0.026 | 50.062 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 332 | PHE | 0 | 0.005 | 0.015 | 47.767 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 333 | ALA | 0 | 0.044 | 0.018 | 53.508 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 334 | ASP | -1 | -0.787 | -0.919 | 56.220 | -5.244 | -5.244 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 335 | VAL | 0 | 0.036 | 0.008 | 55.826 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 336 | ARG | 1 | 0.833 | 0.911 | 56.185 | 5.318 | 5.318 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 337 | GLU | -1 | -0.941 | -0.967 | 53.292 | -5.829 | -5.829 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 338 | MET | 0 | -0.069 | -0.016 | 51.336 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 339 | VAL | 0 | -0.035 | -0.025 | 51.118 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 340 | TYR | 0 | -0.056 | -0.020 | 51.854 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 341 | PRO | 0 | 0.079 | 0.040 | 48.111 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 342 | GLN | 0 | -0.018 | -0.019 | 48.279 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 343 | PHE | 0 | -0.065 | -0.028 | 49.533 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 344 | TYR | 0 | 0.039 | 0.042 | 51.513 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 345 | GLU | -1 | -0.796 | -0.880 | 49.984 | -6.089 | -6.089 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 346 | HIS | 0 | -0.006 | 0.001 | 42.019 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 347 | LYS | 1 | 0.882 | 0.933 | 45.434 | 6.222 | 6.222 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 348 | LEU | 0 | -0.040 | -0.015 | 40.320 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 349 | ASN | 0 | 0.053 | 0.025 | 39.109 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 350 | ASP | -1 | -0.679 | -0.828 | 39.813 | -7.297 | -7.297 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 351 | ARG | 1 | 0.846 | 0.903 | 30.373 | 9.254 | 9.254 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 352 | ASN | 0 | -0.061 | -0.022 | 35.457 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 353 | VAL | 0 | 0.065 | 0.041 | 37.311 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 354 | ALA | 0 | 0.038 | 0.009 | 35.193 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 355 | SER | 0 | -0.103 | -0.058 | 33.127 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 356 | MET | 0 | -0.043 | -0.027 | 34.329 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 357 | VAL | 0 | 0.005 | 0.025 | 36.335 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 358 | LYS | 1 | 0.745 | 0.872 | 32.832 | 8.186 | 8.186 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 359 | LEU | 0 | 0.030 | 0.003 | 30.538 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 360 | ASP | -1 | -0.849 | -0.905 | 34.078 | -7.755 | -7.755 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 361 | LYS | 1 | 0.917 | 0.933 | 34.546 | 7.509 | 7.509 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 362 | VAL | 0 | 0.017 | 0.010 | 28.580 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 363 | PRO | 0 | -0.029 | 0.007 | 27.568 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 427 | GLU | -1 | -0.783 | -0.879 | 33.079 | -8.915 | -8.915 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 428 | ILE | 0 | -0.045 | -0.024 | 35.880 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 429 | TYR | 0 | -0.002 | -0.026 | 34.629 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 430 | VAL | 0 | -0.079 | -0.043 | 38.311 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 431 | TYR | 0 | 0.031 | 0.012 | 40.183 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 432 | ASP | -1 | -0.812 | -0.905 | 42.991 | -6.174 | -6.174 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 433 | GLY | 0 | -0.010 | -0.023 | 44.298 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 434 | ASN | 0 | -0.051 | -0.016 | 45.414 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 435 | VAL | 0 | -0.024 | -0.034 | 40.557 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 436 | ILE | 0 | 0.031 | 0.013 | 42.989 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 437 | GLY | 0 | 0.005 | 0.020 | 40.605 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 438 | ILE | 0 | -0.029 | -0.022 | 39.681 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 439 | PRO | 0 | -0.036 | -0.005 | 39.523 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 440 | GLU | -1 | -0.933 | -0.966 | 35.145 | -8.124 | -8.124 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 505 | LEU | 0 | -0.013 | -0.021 | 35.820 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 506 | LYS | 1 | 0.855 | 0.926 | 36.705 | 8.098 | 8.098 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 507 | ILE | 0 | 0.013 | 0.005 | 38.371 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 508 | ASP | -1 | -0.783 | -0.889 | 37.622 | -8.012 | -8.012 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 509 | ASP | -1 | -0.780 | -0.899 | 40.755 | -6.456 | -6.456 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 510 | ILE | 0 | -0.016 | -0.004 | 41.588 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 511 | ALA | 0 | 0.061 | 0.014 | 41.444 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 512 | LEU | 0 | 0.000 | 0.013 | 43.507 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 513 | LYS | 1 | 0.871 | 0.927 | 46.156 | 6.527 | 6.527 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 514 | GLN | 0 | -0.004 | 0.018 | 44.489 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 515 | ILE | 0 | -0.001 | -0.007 | 43.766 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 516 | MET | 0 | -0.007 | 0.000 | 48.150 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 517 | SER | 0 | -0.049 | -0.040 | 50.857 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 518 | LYS | 1 | 0.794 | 0.890 | 50.075 | 5.990 | 5.990 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 519 | ASN | 0 | -0.022 | -0.005 | 52.461 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 520 | LYS | 1 | 0.822 | 0.944 | 48.266 | 6.263 | 6.263 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 521 | VAL | 0 | -0.001 | -0.007 | 46.787 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 1364 | ALA | 0 | 0.063 | 0.010 | 29.337 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 1365 | ALA | 0 | 0.003 | 0.009 | 25.007 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 1366 | ALA | 0 | 0.031 | -0.002 | 20.584 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 1367 | ALA | 0 | 0.034 | 0.022 | 22.734 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 1368 | ALA | 0 | 0.042 | 0.026 | 23.968 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 1369 | ALA | 0 | 0.005 | 0.004 | 23.443 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 1370 | ALA | 0 | -0.006 | -0.008 | 21.454 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 1371 | ALA | 0 | 0.029 | 0.016 | 23.212 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 1372 | ALA | 0 | 0.009 | -0.002 | 26.766 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 1373 | ALA | 0 | -0.029 | -0.009 | 23.263 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 1374 | ALA | 0 | 0.009 | 0.007 | 24.835 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 1375 | ALA | 0 | 0.032 | 0.011 | 26.082 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 1376 | ALA | 0 | -0.037 | -0.024 | 27.459 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 1377 | ALA | 0 | -0.003 | 0.002 | 25.437 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 1378 | ALA | 0 | 0.021 | 0.008 | 27.545 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 1379 | ALA | 0 | -0.034 | -0.023 | 30.743 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 1380 | ALA | 0 | -0.049 | -0.013 | 28.992 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 1381 | ALA | 0 | -0.031 | -0.004 | 29.875 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 1382 | ALA | 0 | -0.066 | -0.032 | 31.505 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 1389 | ALA | 0 | 0.048 | 0.026 | 40.962 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 1390 | ALA | 0 | -0.032 | -0.004 | 40.060 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 1391 | ALA | 0 | 0.003 | 0.010 | 34.660 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 1392 | ALA | 0 | -0.004 | -0.016 | 33.869 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 1393 | ALA | 0 | 0.010 | 0.018 | 28.541 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 1394 | ALA | 0 | 0.012 | -0.004 | 28.760 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 1395 | ALA | 0 | -0.007 | 0.016 | 25.047 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 1405 | ALA | 0 | 0.015 | -0.006 | 29.362 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 1406 | ALA | 0 | -0.004 | 0.023 | 28.373 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 1407 | ALA | 0 | 0.004 | -0.007 | 29.804 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 1408 | ALA | 0 | 0.002 | 0.009 | 31.951 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 1409 | ALA | 0 | -0.016 | -0.006 | 33.492 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 1410 | ALA | 0 | -0.006 | -0.002 | 36.096 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 1411 | ALA | 0 | -0.006 | -0.022 | 38.904 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 1449 | ALA | 0 | 0.053 | 0.009 | 52.775 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 1450 | ALA | 0 | 0.022 | 0.008 | 49.317 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 1451 | ALA | 0 | 0.033 | 0.017 | 48.450 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 1452 | ALA | 0 | 0.024 | 0.016 | 48.555 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 1453 | ALA | 0 | 0.011 | 0.004 | 44.877 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 1454 | ALA | 0 | 0.010 | 0.000 | 43.878 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 1455 | ALA | 0 | 0.002 | 0.001 | 44.117 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 1456 | ALA | 0 | 0.006 | -0.002 | 42.341 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 1457 | ALA | 0 | -0.016 | -0.020 | 39.807 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 1458 | ALA | 0 | -0.019 | 0.002 | 39.366 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 1459 | ALA | 0 | -0.066 | -0.027 | 40.081 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 1460 | ALA | 0 | -0.015 | 0.014 | 39.458 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 1461 | ALA | 0 | -0.068 | -0.034 | 35.786 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 1462 | ALA | 0 | 0.053 | 0.027 | 32.590 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 1463 | ALA | 0 | -0.064 | -0.036 | 33.058 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 1464 | ALA | 0 | -0.003 | -0.014 | 27.997 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 1465 | ALA | 0 | -0.001 | -0.003 | 29.487 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 1466 | ALA | 0 | 0.093 | 0.043 | 32.128 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 1467 | ALA | 0 | 0.013 | -0.001 | 34.577 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 1468 | ALA | 0 | 0.076 | 0.041 | 35.139 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 1469 | ALA | 0 | 0.050 | 0.027 | 30.535 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 1470 | ALA | 0 | -0.038 | -0.020 | 32.159 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 1471 | ALA | 0 | 0.021 | 0.011 | 34.354 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 1472 | ALA | 0 | 0.023 | 0.024 | 31.210 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 1473 | ALA | 0 | -0.005 | -0.013 | 30.655 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 1474 | ALA | 0 | -0.011 | -0.006 | 31.679 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 1475 | ALA | 0 | 0.022 | 0.013 | 34.203 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 1476 | ALA | 0 | 0.012 | 0.003 | 29.743 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 1477 | ALA | 0 | -0.062 | -0.033 | 31.889 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 1478 | ALA | 0 | 0.060 | 0.030 | 33.680 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 1479 | ALA | 0 | 0.004 | 0.003 | 32.181 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 1480 | ALA | 0 | -0.070 | -0.043 | 31.641 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 1481 | GLU | -1 | -0.953 | -0.967 | 33.322 | -7.269 | -7.269 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 1482 | ALA | 0 | 0.035 | 0.012 | 36.187 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 1483 | ALA | 0 | -0.065 | -0.036 | 32.874 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 1484 | ALA | 0 | -0.055 | -0.026 | 34.908 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 1485 | ALA | 0 | -0.042 | -0.013 | 37.070 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 1486 | ALA | 0 | -0.044 | -0.003 | 39.227 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 1489 | ALA | 0 | -0.030 | -0.017 | 39.020 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 1490 | ALA | 0 | 0.011 | 0.002 | 38.892 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 1491 | ALA | 0 | -0.017 | -0.021 | 40.407 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 1492 | ALA | 0 | 0.008 | -0.003 | 38.230 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 1493 | ALA | 0 | 0.000 | 0.024 | 40.241 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 1494 | ALA | 0 | -0.007 | -0.005 | 42.399 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 1495 | ALA | 0 | 0.029 | 0.031 | 44.284 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 1503 | ALA | 0 | 0.104 | 0.056 | 38.376 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 1504 | ALA | 0 | -0.068 | -0.033 | 36.390 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 1522 | ALA | 0 | -0.007 | -0.013 | 43.433 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 1523 | ALA | 0 | -0.071 | -0.028 | 43.502 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 1527 | ALA | 0 | -0.023 | -0.026 | 46.228 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 1528 | ALA | 0 | 0.009 | 0.006 | 42.257 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 1529 | ALA | 0 | -0.009 | 0.002 | 42.941 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 1530 | ALA | 0 | 0.003 | -0.017 | 39.539 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 1533 | ALA | 0 | 0.001 | -0.011 | 42.207 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 1534 | ALA | 0 | -0.016 | 0.000 | 37.845 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 1535 | ALA | 0 | -0.005 | -0.003 | 38.310 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 1536 | ALA | 0 | 0.004 | 0.003 | 35.570 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 1537 | ALA | 0 | 0.018 | 0.003 | 33.931 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 2216 | ALA | 0 | 0.045 | 0.004 | 86.060 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 2217 | ALA | 0 | 0.019 | 0.006 | 85.257 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 2218 | ALA | 0 | 0.061 | 0.031 | 80.218 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 2219 | ALA | 0 | -0.018 | -0.006 | 80.567 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 2220 | ALA | 0 | -0.007 | -0.005 | 81.854 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 2221 | ALA | 0 | -0.006 | 0.001 | 79.969 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 2222 | ALA | 0 | -0.032 | -0.020 | 77.447 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 2223 | ALA | 0 | -0.049 | -0.013 | 77.700 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 2224 | ALA | 0 | -0.034 | -0.002 | 78.286 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 2233 | ALA | 0 | 0.071 | 0.019 | 76.338 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 2234 | ALA | 0 | 0.025 | 0.009 | 76.651 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 2235 | ALA | 0 | 0.038 | 0.019 | 77.490 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 2236 | ALA | 0 | 0.033 | 0.021 | 74.530 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 2237 | ALA | 0 | 0.013 | 0.010 | 73.325 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 2238 | ALA | 0 | 0.001 | 0.000 | 74.320 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 2239 | ALA | 0 | 0.013 | 0.006 | 76.242 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 2240 | ALA | 0 | 0.003 | 0.001 | 70.918 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 2241 | ALA | 0 | -0.040 | -0.018 | 71.950 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 2242 | ALA | 0 | 0.038 | 0.026 | 73.815 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 2243 | ALA | 0 | -0.024 | 0.017 | 72.224 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 2250 | ALA | 0 | 0.052 | 0.034 | 66.705 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 2251 | ALA | 0 | 0.050 | 0.017 | 67.736 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 2252 | ALA | 0 | 0.001 | -0.010 | 65.508 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 2253 | ALA | 0 | 0.017 | 0.009 | 64.097 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 2254 | ALA | 0 | -0.025 | -0.008 | 66.129 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 2255 | ALA | 0 | 0.026 | 0.016 | 69.392 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 2256 | ALA | 0 | -0.043 | -0.005 | 65.469 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 2266 | ALA | 0 | 0.056 | 0.014 | 61.731 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 2267 | ALA | 0 | 0.041 | 0.016 | 63.882 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 2268 | ALA | 0 | 0.026 | 0.018 | 66.615 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 2269 | ALA | 0 | -0.003 | 0.000 | 65.321 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 2270 | ALA | 0 | -0.007 | 0.010 | 67.378 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 2271 | ALA | 0 | 0.073 | 0.030 | 69.559 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 2272 | ALA | 0 | -0.037 | -0.026 | 70.660 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 2273 | ALA | 0 | -0.017 | -0.018 | 72.678 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 2274 | ALA | 0 | -0.026 | -0.004 | 73.372 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 2275 | ALA | 0 | -0.002 | 0.008 | 75.197 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 2276 | ALA | 0 | -0.024 | -0.012 | 75.772 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |