FMODB ID: 6YNNZ
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 | OptHSide |
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 | -5914185.961508 |
---|---|
FMO2-HF: Nuclear repulsion | 5750834.338221 |
FMO2-HF: Total energy | -163351.623287 |
FMO2-MP2: Total energy | -163827.232282 |
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. |
3.057 | 9.185 | 1.513 | -2.594 | -5.047 | -0.005 |
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 | -0.941 | -0.961 | 2.531 | -30.344 | -26.569 | 0.268 | -1.613 | -2.430 | -0.003 |
4 | D | 7 | ILE | 0 | 0.004 | -0.001 | 2.535 | 1.928 | 3.405 | 1.119 | -0.782 | -1.814 | -0.001 |
5 | D | 8 | ILE | 0 | -0.006 | 0.007 | 2.851 | 4.033 | 4.909 | 0.126 | -0.199 | -0.803 | -0.001 |
6 | D | 9 | GLU | -1 | -0.844 | -0.924 | 6.496 | -21.966 | -21.966 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | D | 10 | MET | 0 | -0.057 | -0.024 | 6.827 | 3.581 | 3.581 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 11 | ALA | 0 | 0.003 | -0.010 | 8.605 | 2.427 | 2.427 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 12 | ASN | 0 | -0.056 | -0.032 | 9.611 | 2.070 | 2.070 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 13 | LYS | 1 | 0.796 | 0.911 | 10.841 | 24.174 | 24.174 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 14 | ASP | -1 | -0.808 | -0.895 | 13.335 | -15.191 | -15.191 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 15 | PHE | 0 | 0.048 | 0.027 | 11.740 | -0.972 | -0.972 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 16 | GLU | -1 | -0.899 | -0.956 | 12.900 | -15.214 | -15.214 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 17 | LYS | 1 | 0.896 | 0.937 | 12.609 | 16.893 | 16.893 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 18 | ALA | 0 | 0.013 | 0.023 | 8.946 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 19 | TRP | 0 | -0.083 | -0.029 | 9.854 | -0.891 | -0.891 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 20 | ILE | 0 | -0.011 | -0.009 | 12.036 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 21 | GLU | -1 | -0.936 | -0.987 | 11.339 | -17.846 | -17.846 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 22 | THR | 0 | -0.056 | -0.026 | 7.891 | -1.515 | -1.515 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 23 | LYS | 1 | 0.805 | 0.895 | 9.539 | 15.336 | 15.336 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 24 | ASP | -1 | -0.839 | -0.914 | 12.510 | -16.271 | -16.271 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 25 | LEU | 0 | -0.027 | -0.003 | 5.774 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 26 | ILE | 0 | -0.038 | -0.023 | 9.841 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 27 | LYS | 1 | 0.952 | 0.987 | 11.448 | 20.643 | 20.643 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 28 | ALA | 0 | 0.021 | 0.015 | 14.872 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 29 | LYS | 1 | 0.936 | 0.966 | 18.380 | 13.569 | 13.569 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 30 | LYS | 1 | 1.010 | 1.011 | 20.448 | 12.118 | 12.118 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 31 | ILE | 0 | 0.085 | 0.048 | 23.418 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 32 | ASN | 0 | -0.002 | -0.008 | 26.579 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 33 | GLU | -1 | -0.928 | -0.976 | 23.827 | -11.568 | -11.568 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 34 | SER | 0 | 0.000 | 0.001 | 24.663 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 35 | TYR | 0 | 0.021 | -0.003 | 25.684 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 36 | PRO | 0 | 0.035 | 0.030 | 27.439 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 37 | ARG | 1 | 0.843 | 0.917 | 29.368 | 9.714 | 9.714 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 38 | ILE | 0 | -0.033 | 0.012 | 23.901 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 39 | LYS | 1 | 0.979 | 0.987 | 28.417 | 9.231 | 9.231 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 40 | PRO | 0 | 0.000 | 0.000 | 28.766 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 41 | VAL | 0 | -0.029 | -0.019 | 29.241 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 42 | PHE | 0 | 0.026 | 0.020 | 29.856 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 43 | GLY | 0 | 0.028 | 0.013 | 32.203 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 44 | LYS | 1 | 0.884 | 0.941 | 35.231 | 8.463 | 8.463 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 45 | THR | 0 | -0.012 | -0.029 | 38.416 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 46 | HIS | 0 | -0.017 | -0.005 | 41.548 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 47 | PRO | 0 | 0.114 | 0.063 | 45.299 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 48 | VAL | 0 | 0.008 | -0.003 | 47.515 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 49 | ASN | 0 | -0.017 | -0.023 | 46.049 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 50 | ASP | -1 | -0.765 | -0.852 | 43.661 | -7.272 | -7.272 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 51 | THR | 0 | -0.069 | -0.029 | 46.429 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 52 | ILE | 0 | -0.016 | -0.015 | 49.932 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 53 | GLU | -1 | -0.798 | -0.877 | 44.746 | -6.844 | -6.844 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 54 | ASN | 0 | -0.025 | -0.041 | 45.544 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 55 | LEU | 0 | -0.004 | -0.003 | 48.728 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 56 | ARG | 1 | 0.763 | 0.833 | 46.889 | 6.641 | 6.641 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 57 | GLN | 0 | -0.044 | -0.014 | 45.970 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 58 | ALA | 0 | -0.004 | 0.008 | 49.707 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 59 | TYR | 0 | 0.037 | -0.019 | 52.450 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 60 | LEU | 0 | -0.009 | 0.000 | 49.108 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 61 | ARG | 1 | 0.884 | 0.948 | 45.214 | 6.814 | 6.814 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 62 | MET | 0 | -0.097 | -0.003 | 52.464 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 63 | GLY | 0 | -0.006 | -0.008 | 54.790 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 64 | PHE | 0 | -0.054 | -0.025 | 56.090 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 65 | GLU | -1 | -0.810 | -0.885 | 55.491 | -5.537 | -5.537 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 66 | GLU | -1 | -0.818 | -0.877 | 51.649 | -6.159 | -6.159 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 67 | TYR | 0 | 0.026 | 0.001 | 55.806 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 68 | ILE | 0 | 0.008 | 0.023 | 54.082 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 69 | ASN | 0 | 0.015 | 0.033 | 58.456 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 70 | PRO | 0 | 0.033 | 0.007 | 61.670 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 71 | VAL | 0 | 0.045 | 0.024 | 60.068 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 72 | ILE | 0 | -0.014 | -0.004 | 63.513 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 73 | VAL | 0 | -0.013 | 0.007 | 66.420 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 74 | ASP | -1 | -0.821 | -0.918 | 69.517 | -4.266 | -4.266 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 75 | GLU | -1 | -0.731 | -0.847 | 72.847 | -4.086 | -4.086 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 76 | ARG | 1 | 0.925 | 0.956 | 75.827 | 4.118 | 4.118 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 77 | ASP | -1 | -0.783 | -0.867 | 73.367 | -4.329 | -4.329 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 78 | ILE | 0 | 0.039 | 0.025 | 71.809 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 79 | TYR | 0 | 0.007 | -0.006 | 75.384 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 80 | LYS | 1 | 0.757 | 0.897 | 75.559 | 4.293 | 4.293 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 81 | GLN | 0 | -0.032 | -0.021 | 71.342 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 82 | PHE | 0 | 0.010 | 0.002 | 71.842 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 83 | GLY | 0 | 0.003 | 0.012 | 77.893 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 84 | PRO | 0 | -0.007 | -0.022 | 81.616 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 85 | GLU | -1 | -0.832 | -0.915 | 77.902 | -4.113 | -4.113 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 86 | ALA | 0 | 0.004 | 0.014 | 78.039 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 87 | MET | 0 | 0.004 | 0.005 | 78.416 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 88 | ALA | 0 | 0.003 | 0.004 | 77.955 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 89 | VAL | 0 | -0.002 | -0.003 | 72.880 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 90 | LEU | 0 | 0.010 | -0.002 | 74.172 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 91 | ASP | -1 | -0.823 | -0.901 | 75.608 | -4.208 | -4.208 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 92 | ARG | 1 | 0.746 | 0.887 | 71.824 | 4.275 | 4.275 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 93 | CYS | 0 | 0.017 | 0.017 | 70.689 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 94 | PHE | 0 | -0.009 | -0.010 | 65.951 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 95 | TYR | 0 | -0.031 | -0.034 | 69.960 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 96 | LEU | 0 | 0.004 | -0.002 | 66.024 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 97 | ALA | 0 | -0.014 | 0.014 | 69.911 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 98 | GLY | 0 | 0.017 | 0.004 | 69.440 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 99 | LEU | 0 | -0.034 | -0.013 | 68.702 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 100 | PRO | 0 | 0.014 | 0.026 | 71.919 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 101 | ARG | 1 | 0.817 | 0.868 | 67.761 | 4.569 | 4.569 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 171 | PHE | 0 | -0.034 | -0.023 | 75.674 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 172 | LYS | 1 | 0.836 | 0.913 | 67.905 | 4.640 | 4.640 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 173 | ASP | -1 | -0.875 | -0.933 | 72.783 | -4.321 | -4.321 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 174 | LEU | 0 | -0.036 | -0.003 | 73.100 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 175 | THR | 0 | -0.002 | -0.004 | 73.736 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 176 | ALA | 0 | -0.036 | -0.016 | 71.570 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 177 | VAL | 0 | 0.020 | 0.002 | 73.595 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 178 | SER | 0 | -0.015 | -0.022 | 74.208 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 179 | SER | 0 | 0.007 | -0.034 | 72.192 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 180 | LYS | 1 | 0.836 | 0.906 | 74.754 | 4.062 | 4.062 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 181 | LEU | 0 | 0.048 | 0.042 | 69.255 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 182 | THR | 0 | 0.011 | 0.002 | 70.393 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 183 | LEU | 0 | -0.036 | -0.006 | 64.118 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 184 | ARG | 1 | 0.760 | 0.843 | 60.215 | 5.245 | 5.245 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 185 | SER | 0 | 0.069 | 0.037 | 65.294 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 186 | HIS | 0 | -0.005 | 0.008 | 66.111 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 187 | MET | 0 | 0.066 | 0.025 | 60.340 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 188 | THR | 0 | -0.022 | 0.003 | 64.945 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 189 | SER | 0 | -0.024 | -0.027 | 67.991 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 190 | GLY | 0 | 0.016 | -0.001 | 65.633 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 191 | TRP | 0 | 0.008 | 0.000 | 60.636 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 192 | PHE | 0 | 0.003 | 0.007 | 66.984 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 193 | LEU | 0 | -0.020 | -0.011 | 68.120 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 194 | THR | 0 | -0.018 | -0.031 | 63.202 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 195 | VAL | 0 | 0.010 | -0.008 | 66.491 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 196 | SER | 0 | -0.048 | -0.024 | 68.287 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 197 | ASP | -1 | -0.869 | -0.932 | 67.747 | -4.674 | -4.674 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 198 | LEU | 0 | -0.005 | -0.007 | 63.696 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 199 | MET | 0 | 0.004 | 0.015 | 67.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 200 | ASN | 0 | -0.036 | -0.023 | 71.113 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 201 | LYS | 1 | 0.809 | 0.930 | 66.953 | 4.691 | 4.691 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 202 | LYS | 1 | 0.794 | 0.893 | 60.570 | 5.240 | 5.240 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 203 | PRO | 0 | -0.007 | -0.003 | 64.611 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 204 | LEU | 0 | 0.008 | 0.025 | 65.986 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 205 | PRO | 0 | 0.011 | -0.005 | 65.525 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 206 | PHE | 0 | 0.021 | -0.019 | 63.277 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 207 | LYS | 1 | 0.920 | 0.976 | 59.674 | 5.433 | 5.433 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 208 | LEU | 0 | 0.001 | 0.015 | 60.109 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 209 | PHE | 0 | 0.012 | -0.012 | 52.791 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 210 | SER | 0 | -0.014 | -0.034 | 56.962 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 211 | ILE | 0 | -0.019 | 0.004 | 53.299 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 212 | ASP | -1 | -0.781 | -0.858 | 55.384 | -5.639 | -5.639 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 213 | ARG | 1 | 0.879 | 0.934 | 53.760 | 5.813 | 5.813 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 214 | CYS | 0 | -0.051 | 0.005 | 58.512 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 215 | PHE | 0 | 0.003 | -0.013 | 59.818 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 216 | ARG | 1 | 0.930 | 0.954 | 64.290 | 4.681 | 4.681 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 217 | ARG | 1 | 0.804 | 0.918 | 66.772 | 4.337 | 4.337 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 218 | GLU | -1 | -0.812 | -0.909 | 66.131 | -4.648 | -4.648 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 219 | GLN | 0 | -0.046 | -0.032 | 68.655 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 220 | LYS | 1 | 0.962 | 0.968 | 67.397 | 4.601 | 4.601 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 221 | GLU | -1 | -0.808 | -0.870 | 61.101 | -5.227 | -5.227 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 222 | ASP | -1 | -0.836 | -0.928 | 63.202 | -4.821 | -4.821 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 223 | LYS | 1 | 0.996 | 1.013 | 60.380 | 5.054 | 5.054 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 224 | SER | 0 | -0.093 | -0.054 | 60.405 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 225 | HIS | 1 | 0.873 | 0.940 | 62.914 | 4.847 | 4.847 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 226 | LEU | 0 | 0.036 | 0.020 | 57.693 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 227 | MET | 0 | 0.009 | 0.011 | 62.164 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 228 | THR | 0 | -0.052 | -0.023 | 58.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 229 | TYR | 0 | -0.023 | -0.022 | 58.241 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 230 | HIS | 1 | 0.854 | 0.889 | 53.313 | 5.862 | 5.862 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 231 | SER | 0 | -0.013 | -0.004 | 57.713 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 232 | ALA | 0 | 0.018 | 0.007 | 56.567 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 233 | SER | 0 | -0.030 | -0.010 | 58.418 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 234 | CYS | 0 | 0.002 | 0.018 | 60.218 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 235 | ALA | 0 | 0.022 | 0.011 | 62.184 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 236 | ILE | 0 | 0.023 | 0.015 | 63.413 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 237 | ALA | 0 | -0.005 | 0.012 | 66.246 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 238 | GLY | 0 | 0.045 | -0.003 | 68.389 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 239 | GLU | -1 | -0.877 | -0.943 | 70.721 | -4.222 | -4.222 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 240 | GLY | 0 | -0.047 | -0.023 | 72.458 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 241 | VAL | 0 | -0.045 | 0.010 | 69.487 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 242 | ASP | -1 | -0.809 | -0.924 | 71.643 | -4.349 | -4.349 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 243 | ILE | 0 | -0.014 | -0.012 | 71.164 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 244 | ASN | 0 | -0.046 | -0.042 | 70.233 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 245 | ASP | -1 | -0.775 | -0.886 | 67.285 | -4.820 | -4.820 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 246 | GLY | 0 | 0.004 | -0.027 | 65.968 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 247 | LYS | 1 | 0.851 | 0.924 | 65.611 | 4.432 | 4.432 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 248 | ALA | 0 | 0.039 | 0.026 | 64.308 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 249 | ILE | 0 | -0.007 | -0.011 | 60.637 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 250 | ALA | 0 | -0.012 | -0.008 | 60.598 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 251 | GLU | -1 | -0.918 | -0.949 | 60.605 | -5.244 | -5.244 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 252 | GLY | 0 | 0.029 | 0.028 | 58.095 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 253 | LEU | 0 | 0.003 | -0.010 | 55.848 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 254 | LEU | 0 | -0.015 | -0.012 | 55.511 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 255 | SER | 0 | -0.014 | -0.020 | 56.169 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 256 | GLN | 0 | -0.089 | -0.051 | 51.753 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 257 | PHE | 0 | -0.042 | -0.026 | 50.951 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 258 | GLY | 0 | -0.033 | -0.023 | 52.465 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 259 | PHE | 0 | -0.042 | -0.016 | 53.163 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 260 | THR | 0 | -0.016 | -0.012 | 56.570 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 261 | ASN | 0 | 0.014 | 0.004 | 58.664 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 262 | PHE | 0 | 0.059 | 0.007 | 58.950 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 263 | LYS | 1 | 0.901 | 0.967 | 64.674 | 4.717 | 4.717 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 264 | PHE | 0 | 0.026 | -0.004 | 65.405 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 265 | ILE | 0 | 0.016 | 0.021 | 70.093 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 266 | PRO | 0 | 0.026 | 0.006 | 72.445 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 267 | ASP | -1 | -0.768 | -0.860 | 73.108 | -4.369 | -4.369 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 268 | GLU | -1 | -0.941 | -0.984 | 74.896 | -4.028 | -4.028 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 269 | LYS | 1 | 0.741 | 0.869 | 72.002 | 4.491 | 4.491 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 270 | LYS | 1 | 0.951 | 0.983 | 77.241 | 4.035 | 4.035 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 271 | SER | 0 | -0.010 | -0.004 | 75.387 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 272 | LYS | 1 | 0.955 | 0.965 | 77.434 | 3.861 | 3.861 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 273 | TYR | 0 | -0.035 | -0.005 | 70.928 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 274 | TYR | 0 | -0.055 | -0.032 | 69.438 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 275 | THR | 0 | 0.001 | -0.016 | 76.331 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 276 | PRO | 0 | 0.000 | -0.013 | 78.184 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 277 | GLU | -1 | -0.962 | -0.967 | 79.258 | -3.951 | -3.951 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 278 | THR | 0 | -0.041 | -0.002 | 74.465 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 279 | GLN | 0 | 0.022 | 0.007 | 72.714 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 280 | THR | 0 | -0.061 | -0.026 | 69.597 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 281 | GLU | -1 | -0.833 | -0.910 | 68.680 | -4.574 | -4.574 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 282 | VAL | 0 | -0.058 | -0.042 | 63.754 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 283 | TYR | 0 | -0.029 | -0.040 | 64.996 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 284 | ALA | 0 | 0.027 | 0.017 | 60.345 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 285 | TYR | 0 | -0.006 | 0.004 | 59.535 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 286 | HIS | 0 | 0.040 | 0.020 | 53.018 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 287 | PRO | 0 | 0.012 | 0.010 | 55.046 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 288 | LYS | 1 | 0.889 | 0.932 | 48.759 | 6.322 | 6.322 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 289 | LEU | 0 | 0.031 | 0.018 | 54.083 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 290 | LYS | 1 | 0.903 | 0.965 | 56.801 | 5.280 | 5.280 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 291 | GLU | -1 | -0.911 | -0.955 | 59.430 | -5.095 | -5.095 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 292 | TRP | 0 | -0.069 | -0.038 | 61.204 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 293 | LEU | 0 | 0.017 | 0.005 | 59.150 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 294 | GLU | -1 | -0.830 | -0.883 | 63.147 | -4.902 | -4.902 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 295 | VAL | 0 | -0.061 | -0.037 | 58.951 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 296 | ALA | 0 | 0.007 | -0.001 | 61.569 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 297 | THR | 0 | 0.022 | 0.013 | 63.452 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 298 | PHE | 0 | 0.009 | 0.022 | 66.360 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 299 | GLY | 0 | 0.050 | 0.034 | 68.244 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 300 | VAL | 0 | 0.003 | 0.008 | 70.746 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 301 | TYR | 0 | 0.000 | -0.013 | 68.663 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 302 | SER | 0 | 0.010 | 0.005 | 74.532 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 303 | PRO | 0 | 0.113 | 0.036 | 77.987 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 304 | VAL | 0 | -0.020 | 0.020 | 79.741 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 305 | ALA | 0 | 0.018 | 0.001 | 76.895 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 306 | LEU | 0 | 0.003 | 0.001 | 73.413 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 307 | SER | 0 | 0.013 | 0.002 | 76.817 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 308 | LYS | 1 | 0.895 | 0.951 | 79.310 | 3.973 | 3.973 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 309 | TYR | 0 | -0.080 | -0.081 | 73.159 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 310 | GLY | 0 | -0.007 | 0.021 | 75.377 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 311 | ILE | 0 | -0.077 | -0.048 | 72.091 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 312 | ASP | -1 | -0.904 | -0.947 | 75.437 | -4.129 | -4.129 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 313 | VAL | 0 | -0.018 | 0.006 | 71.752 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 314 | PRO | 0 | 0.001 | 0.003 | 73.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 315 | VAL | 0 | 0.034 | -0.010 | 68.946 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 316 | MET | 0 | -0.057 | 0.024 | 65.558 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 317 | ASN | 0 | 0.008 | -0.013 | 65.694 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 318 | LEU | 0 | 0.052 | 0.021 | 61.274 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 319 | GLY | 0 | -0.038 | -0.023 | 62.809 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 320 | LEU | 0 | 0.041 | 0.010 | 57.116 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 321 | GLY | 0 | 0.053 | 0.033 | 59.692 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 322 | VAL | 0 | 0.015 | 0.010 | 53.525 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 323 | GLU | -1 | -0.771 | -0.878 | 55.130 | -5.788 | -5.788 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 324 | ARG | 1 | 0.875 | 0.916 | 55.539 | 5.004 | 5.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 325 | LEU | 0 | 0.037 | 0.029 | 53.244 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 326 | ALA | 0 | 0.026 | 0.016 | 51.381 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 327 | MET | 0 | -0.047 | -0.022 | 51.999 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 328 | ILE | 0 | 0.002 | 0.014 | 53.699 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 329 | SER | 0 | -0.059 | -0.043 | 50.286 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 330 | GLY | 0 | -0.023 | -0.016 | 49.023 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 331 | ASN | 0 | -0.052 | -0.025 | 50.033 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 332 | PHE | 0 | -0.001 | 0.006 | 47.905 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 333 | ALA | 0 | 0.006 | -0.004 | 53.503 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 334 | ASP | -1 | -0.845 | -0.954 | 55.986 | -5.287 | -5.287 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 335 | VAL | 0 | 0.032 | 0.001 | 55.725 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 336 | ARG | 1 | 0.847 | 0.926 | 55.707 | 5.321 | 5.321 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 337 | GLU | -1 | -0.960 | -0.975 | 53.084 | -5.864 | -5.864 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 338 | MET | 0 | -0.062 | -0.014 | 51.080 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 339 | VAL | 0 | -0.057 | -0.031 | 50.739 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 340 | TYR | 0 | -0.065 | -0.026 | 51.304 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 341 | PRO | 0 | 0.070 | 0.039 | 47.861 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 342 | GLN | 0 | 0.010 | -0.011 | 48.336 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 343 | PHE | 0 | -0.095 | -0.038 | 49.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 344 | TYR | 0 | 0.041 | 0.034 | 51.400 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 345 | GLU | -1 | -0.776 | -0.858 | 49.731 | -6.146 | -6.146 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 346 | HIS | 0 | 0.025 | 0.012 | 41.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 347 | LYS | 1 | 0.861 | 0.931 | 45.645 | 6.199 | 6.199 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 348 | LEU | 0 | -0.020 | -0.013 | 40.189 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 349 | ASN | 0 | 0.022 | 0.001 | 38.370 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 350 | ASP | -1 | -0.699 | -0.852 | 39.952 | -7.397 | -7.397 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 351 | ARG | 1 | 0.859 | 0.911 | 30.949 | 9.188 | 9.188 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 352 | ASN | 0 | -0.048 | -0.024 | 35.691 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 353 | VAL | 0 | 0.058 | 0.047 | 36.893 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 354 | ALA | 0 | 0.060 | 0.027 | 35.196 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 355 | SER | 0 | -0.126 | -0.070 | 32.964 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 356 | MET | 0 | -0.059 | -0.044 | 34.217 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 357 | VAL | 0 | -0.008 | 0.012 | 36.427 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 358 | LYS | 1 | 0.796 | 0.898 | 32.521 | 8.262 | 8.262 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 359 | LEU | 0 | 0.010 | -0.008 | 30.253 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 360 | ASP | -1 | -0.860 | -0.923 | 33.737 | -7.846 | -7.846 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 361 | LYS | 1 | 0.948 | 0.980 | 34.718 | 7.293 | 7.293 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 362 | VAL | 0 | 0.005 | 0.001 | 28.462 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 363 | PRO | 0 | -0.049 | -0.007 | 27.606 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 427 | GLU | -1 | -0.802 | -0.907 | 32.980 | -8.886 | -8.886 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 428 | ILE | 0 | -0.030 | -0.014 | 35.845 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 429 | TYR | 0 | -0.014 | -0.023 | 34.899 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 430 | VAL | 0 | -0.090 | -0.053 | 38.122 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 431 | TYR | 0 | 0.045 | 0.022 | 40.075 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 432 | ASP | -1 | -0.828 | -0.911 | 42.881 | -6.257 | -6.257 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 433 | GLY | 0 | -0.004 | -0.005 | 44.269 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 434 | ASN | 0 | -0.029 | -0.011 | 45.386 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 435 | VAL | 0 | -0.035 | -0.035 | 40.318 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 436 | ILE | 0 | 0.013 | 0.009 | 42.621 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 437 | GLY | 0 | 0.003 | 0.002 | 40.387 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 438 | ILE | 0 | -0.035 | -0.005 | 39.876 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 439 | PRO | 0 | -0.012 | -0.002 | 39.768 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 440 | GLU | -1 | -0.936 | -0.965 | 35.425 | -8.092 | -8.092 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 505 | LEU | 0 | -0.039 | -0.032 | 35.324 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 506 | LYS | 1 | 0.917 | 0.956 | 37.170 | 8.069 | 8.069 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 507 | ILE | 0 | -0.007 | 0.006 | 38.196 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 508 | ASP | -1 | -0.776 | -0.889 | 37.727 | -8.020 | -8.020 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 509 | ASP | -1 | -0.865 | -0.944 | 40.880 | -6.644 | -6.644 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 510 | ILE | 0 | -0.065 | -0.039 | 41.695 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 511 | ALA | 0 | 0.041 | 0.013 | 41.331 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 512 | LEU | 0 | 0.034 | 0.023 | 43.433 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 513 | LYS | 1 | 0.981 | 0.994 | 46.365 | 6.418 | 6.418 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 514 | GLN | 0 | 0.001 | 0.036 | 44.540 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 515 | ILE | 0 | 0.030 | 0.014 | 43.855 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 516 | MET | 0 | -0.030 | -0.007 | 48.169 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 517 | SER | 0 | -0.026 | -0.029 | 50.975 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 518 | LYS | 1 | 0.748 | 0.846 | 49.911 | 6.050 | 6.050 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 519 | ASN | 0 | -0.024 | -0.010 | 52.323 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 520 | LYS | 1 | 0.781 | 0.907 | 48.344 | 6.314 | 6.314 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 521 | VAL | 0 | 0.004 | -0.021 | 46.619 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 1364 | ALA | 0 | 0.064 | 0.009 | 29.251 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 1365 | ALA | 0 | -0.004 | 0.006 | 24.988 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 1366 | ALA | 0 | 0.025 | -0.005 | 20.439 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 1367 | ALA | 0 | 0.037 | 0.023 | 22.592 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 1368 | ALA | 0 | 0.042 | 0.027 | 23.979 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 1369 | ALA | 0 | 0.005 | 0.003 | 23.266 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 1370 | ALA | 0 | -0.006 | -0.008 | 21.352 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 1371 | ALA | 0 | 0.026 | 0.016 | 23.063 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 1372 | ALA | 0 | 0.012 | -0.001 | 26.643 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 1373 | ALA | 0 | -0.029 | -0.009 | 22.944 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 1374 | ALA | 0 | 0.011 | 0.006 | 24.622 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 1375 | ALA | 0 | 0.031 | 0.011 | 25.827 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 1376 | ALA | 0 | -0.035 | -0.023 | 27.292 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 1377 | ALA | 0 | -0.004 | 0.001 | 25.236 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 1378 | ALA | 0 | 0.020 | 0.008 | 27.373 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 1379 | ALA | 0 | -0.033 | -0.022 | 30.432 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 1380 | ALA | 0 | -0.049 | -0.013 | 29.030 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 1381 | ALA | 0 | -0.032 | -0.004 | 29.670 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 1382 | ALA | 0 | -0.066 | -0.032 | 31.408 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 1389 | ALA | 0 | 0.048 | 0.026 | 40.576 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 1390 | ALA | 0 | -0.032 | -0.004 | 39.828 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 1391 | ALA | 0 | 0.002 | 0.009 | 34.393 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 1392 | ALA | 0 | -0.004 | -0.015 | 33.697 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 1393 | ALA | 0 | 0.013 | 0.019 | 28.353 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 1394 | ALA | 0 | 0.009 | -0.005 | 28.763 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 1395 | ALA | 0 | -0.007 | 0.016 | 25.075 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 1405 | ALA | 0 | 0.011 | -0.007 | 29.458 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 1406 | ALA | 0 | -0.001 | 0.023 | 28.267 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 1407 | ALA | 0 | 0.002 | -0.009 | 29.696 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 1408 | ALA | 0 | -0.006 | 0.008 | 31.796 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 1409 | ALA | 0 | -0.012 | -0.004 | 33.325 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 1410 | ALA | 0 | -0.001 | -0.001 | 35.929 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 1411 | ALA | 0 | -0.013 | -0.025 | 38.645 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 1449 | ALA | 0 | 0.054 | 0.009 | 52.565 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 1450 | ALA | 0 | 0.021 | 0.007 | 49.263 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 1451 | ALA | 0 | 0.035 | 0.019 | 48.346 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 1452 | ALA | 0 | 0.026 | 0.016 | 48.423 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 1453 | ALA | 0 | 0.001 | 0.000 | 44.876 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 1454 | ALA | 0 | 0.017 | 0.002 | 43.776 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 1455 | ALA | 0 | 0.002 | 0.002 | 43.970 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 1456 | ALA | 0 | -0.001 | -0.006 | 42.227 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 1457 | ALA | 0 | -0.019 | -0.018 | 39.634 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 1458 | ALA | 0 | -0.020 | 0.001 | 39.195 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 1459 | ALA | 0 | -0.066 | -0.025 | 40.101 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 1460 | ALA | 0 | -0.009 | 0.010 | 39.220 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 1461 | ALA | 0 | -0.061 | -0.029 | 35.656 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 1462 | ALA | 0 | 0.060 | 0.035 | 32.805 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 1463 | ALA | 0 | -0.058 | -0.024 | 32.933 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 1464 | ALA | 0 | -0.004 | -0.008 | 27.918 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 1465 | ALA | 0 | -0.004 | -0.005 | 29.291 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 1466 | ALA | 0 | 0.096 | 0.039 | 31.936 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 1467 | ALA | 0 | 0.007 | -0.003 | 34.258 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 1468 | ALA | 0 | 0.071 | 0.039 | 35.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 1469 | ALA | 0 | 0.052 | 0.027 | 30.224 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 1470 | ALA | 0 | -0.033 | -0.015 | 31.703 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 1471 | ALA | 0 | 0.020 | 0.011 | 33.825 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 1472 | ALA | 0 | 0.024 | 0.022 | 31.156 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 1473 | ALA | 0 | 0.001 | -0.009 | 30.231 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 1474 | ALA | 0 | -0.006 | -0.004 | 31.353 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 1475 | ALA | 0 | 0.010 | 0.006 | 34.003 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 1476 | ALA | 0 | 0.009 | 0.002 | 29.532 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 1477 | ALA | 0 | -0.061 | -0.034 | 31.676 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 1478 | ALA | 0 | 0.056 | 0.025 | 33.429 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 1479 | ALA | 0 | 0.014 | 0.007 | 31.808 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 1480 | ALA | 0 | -0.070 | -0.042 | 31.692 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 1481 | GLU | -1 | -0.943 | -0.968 | 33.296 | -7.252 | -7.252 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 1482 | ALA | 0 | 0.020 | 0.014 | 35.857 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 1483 | ALA | 0 | -0.057 | -0.034 | 32.832 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 1484 | ALA | 0 | -0.053 | -0.021 | 34.825 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 1485 | ALA | 0 | -0.040 | -0.013 | 37.115 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 1486 | ALA | 0 | -0.041 | -0.002 | 39.120 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 1489 | ALA | 0 | -0.034 | -0.018 | 38.794 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 1490 | ALA | 0 | 0.014 | 0.004 | 38.872 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 1491 | ALA | 0 | -0.011 | -0.018 | 40.266 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 1492 | ALA | 0 | 0.009 | -0.001 | 38.063 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 1493 | ALA | 0 | -0.018 | 0.013 | 40.056 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 1494 | ALA | 0 | 0.002 | 0.000 | 41.789 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 1495 | ALA | 0 | 0.041 | 0.037 | 43.772 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 1503 | ALA | 0 | 0.102 | 0.054 | 37.859 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 1504 | ALA | 0 | -0.067 | -0.036 | 36.025 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 1522 | ALA | 0 | 0.011 | 0.009 | 43.307 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 1523 | ALA | 0 | -0.048 | -0.005 | 43.511 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 1527 | ALA | 0 | -0.031 | -0.028 | 46.504 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 1528 | ALA | 0 | 0.013 | 0.007 | 41.951 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 1529 | ALA | 0 | -0.010 | 0.002 | 42.827 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 1530 | ALA | 0 | 0.006 | -0.015 | 39.018 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 1533 | ALA | 0 | 0.045 | 0.018 | 41.878 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 1534 | ALA | 0 | -0.056 | -0.031 | 37.497 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 1535 | ALA | 0 | -0.014 | -0.005 | 38.013 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 1536 | ALA | 0 | 0.010 | 0.006 | 35.383 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 1537 | ALA | 0 | 0.016 | 0.002 | 33.792 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 2216 | ALA | 0 | 0.046 | 0.004 | 85.549 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 2217 | ALA | 0 | 0.021 | 0.007 | 84.651 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 2218 | ALA | 0 | 0.063 | 0.031 | 79.559 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 2219 | ALA | 0 | -0.020 | -0.006 | 79.900 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 2220 | ALA | 0 | -0.007 | -0.004 | 81.274 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 2221 | ALA | 0 | -0.007 | 0.001 | 79.465 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 2222 | ALA | 0 | -0.035 | -0.021 | 76.873 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 2223 | ALA | 0 | -0.050 | -0.013 | 77.183 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 2224 | ALA | 0 | -0.034 | -0.002 | 77.971 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 2233 | ALA | 0 | 0.070 | 0.019 | 75.511 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 2234 | ALA | 0 | 0.025 | 0.008 | 75.861 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 2235 | ALA | 0 | 0.037 | 0.020 | 76.759 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 2236 | ALA | 0 | 0.035 | 0.021 | 74.024 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 2237 | ALA | 0 | 0.013 | 0.012 | 72.558 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 2238 | ALA | 0 | 0.002 | -0.002 | 73.507 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 2239 | ALA | 0 | 0.010 | 0.006 | 75.669 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 2240 | ALA | 0 | 0.009 | 0.002 | 70.206 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 2241 | ALA | 0 | -0.040 | -0.022 | 71.268 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 2242 | ALA | 0 | 0.031 | 0.025 | 72.893 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 2243 | ALA | 0 | -0.023 | 0.007 | 71.557 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 2250 | ALA | 0 | 0.055 | 0.038 | 65.943 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 2251 | ALA | 0 | 0.046 | 0.014 | 66.967 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 2252 | ALA | 0 | 0.003 | -0.009 | 64.642 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 2253 | ALA | 0 | 0.019 | 0.012 | 63.327 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 2254 | ALA | 0 | -0.022 | -0.008 | 65.382 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 2255 | ALA | 0 | 0.022 | 0.014 | 68.631 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 2256 | ALA | 0 | -0.042 | -0.005 | 64.995 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 2266 | ALA | 0 | 0.058 | 0.015 | 61.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 2267 | ALA | 0 | 0.043 | 0.017 | 63.319 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 2268 | ALA | 0 | 0.027 | 0.016 | 66.107 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 2269 | ALA | 0 | -0.014 | -0.005 | 64.516 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 2270 | ALA | 0 | -0.004 | 0.012 | 66.627 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 2271 | ALA | 0 | 0.072 | 0.032 | 69.124 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 2272 | ALA | 0 | -0.043 | -0.029 | 70.100 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 2273 | ALA | 0 | -0.016 | -0.017 | 72.077 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 2274 | ALA | 0 | -0.017 | -0.003 | 73.200 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 2275 | ALA | 0 | -0.003 | 0.008 | 74.911 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 2276 | ALA | 0 | -0.019 | -0.009 | 75.099 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |