![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: NN8VQ
Calculation Name: 3DLB-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3DLB
Chain ID: A
UniProt ID: Q746M7
Base Structure: X-ray
Registration Date: 2023-09-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 640 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -13953756.451776 |
---|---|
FMO2-HF: Nuclear repulsion | 13708383.898655 |
FMO2-HF: Total energy | -245372.55312 |
FMO2-MP2: Total energy | -246106.356489 |
3D Structure
Ligand structure
![ligand structure](./data_download/NN8VQ/ligand_interaction/NN8VQ_ligand.png)
Ligand Interaction
![ligand interaction](./data_download/NN8VQ/ligand_interaction/NN8VQ_ligand_interaction.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:3:HIS)
Summations of interaction energy for
fragment #1(A:3:HIS)
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. |
-51.003 | -48.26 | 24.136 | -11.113 | -15.762 | 0.04 |
Interaction energy analysis for fragmet #1(A:3:HIS)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 5 | GLY | 0 | -0.016 | 0.013 | 3.179 | -2.596 | 0.168 | -0.003 | -1.409 | -1.351 | -0.003 |
4 | A | 6 | LYS | 1 | 0.856 | 0.918 | 5.248 | -2.616 | -2.545 | -0.001 | -0.001 | -0.068 | 0.000 |
5 | A | 7 | THR | 0 | -0.033 | -0.025 | 8.146 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | GLU | -1 | -0.829 | -0.897 | 9.875 | 1.688 | 1.688 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | VAL | 0 | -0.045 | -0.025 | 13.187 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | PHE | 0 | 0.023 | 0.000 | 15.181 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | LEU | 0 | 0.035 | 0.019 | 17.698 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | ASN | 0 | -0.085 | -0.050 | 20.394 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | ARG | 1 | 0.840 | 0.911 | 21.713 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | PHE | 0 | -0.039 | -0.024 | 25.163 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | ALA | 0 | 0.048 | 0.030 | 26.948 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | LEU | 0 | -0.050 | -0.019 | 28.655 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | ARG | 1 | 0.842 | 0.923 | 32.229 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | PRO | 0 | 0.061 | 0.006 | 33.927 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | LEU | 0 | -0.039 | -0.004 | 35.103 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | ASN | 0 | 0.003 | 0.008 | 37.858 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | PRO | 0 | 0.055 | 0.005 | 41.327 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | GLU | -1 | -0.898 | -0.965 | 43.170 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | GLU | -1 | -0.778 | -0.893 | 40.210 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | LEU | 0 | 0.019 | 0.010 | 36.912 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | ARG | 1 | 0.888 | 0.948 | 40.807 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | PRO | 0 | 0.026 | 0.044 | 42.461 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | TRP | 0 | 0.039 | 0.010 | 45.307 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | ARG | 1 | 0.873 | 0.910 | 47.654 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | LEU | 0 | -0.033 | -0.015 | 49.057 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | GLU | -1 | -0.734 | -0.824 | 50.364 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | VAL | 0 | -0.015 | -0.017 | 50.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | VAL | 0 | 0.005 | 0.017 | 53.494 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | LEU | 0 | -0.036 | -0.039 | 51.693 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | ASP | -1 | -0.872 | -0.918 | 56.342 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | PRO | 0 | 0.078 | 0.016 | 59.566 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | PRO | 0 | -0.017 | -0.010 | 57.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | PRO | 0 | -0.022 | 0.016 | 52.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | GLY | 0 | 0.053 | 0.033 | 52.365 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | ARG | 1 | 0.955 | 0.955 | 47.181 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | GLU | -1 | -0.865 | -0.947 | 46.232 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | GLU | -1 | -0.780 | -0.855 | 46.491 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | VAL | 0 | 0.031 | 0.026 | 48.158 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | TYR | 0 | -0.024 | -0.043 | 41.949 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | PRO | 0 | -0.035 | -0.028 | 44.296 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | LEU | 0 | 0.020 | 0.019 | 45.814 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | LEU | 0 | 0.033 | 0.019 | 46.742 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | ALA | 0 | -0.047 | -0.026 | 43.695 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | GLN | 0 | -0.032 | -0.016 | 45.421 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | VAL | 0 | 0.070 | 0.032 | 48.479 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | ALA | 0 | -0.022 | 0.000 | 45.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | ARG | 1 | 0.806 | 0.899 | 41.764 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | ARG | 1 | 0.859 | 0.922 | 48.651 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | ALA | 0 | 0.065 | 0.047 | 50.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | GLY | 0 | 0.029 | 0.031 | 50.836 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | GLY | 0 | 0.041 | 0.019 | 49.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | VAL | 0 | -0.057 | -0.039 | 43.364 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | THR | 0 | 0.032 | 0.002 | 45.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | VAL | 0 | -0.002 | -0.014 | 40.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | ARG | 1 | 0.889 | 0.962 | 39.978 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | MET | 0 | -0.043 | -0.016 | 41.907 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | GLY | 0 | 0.010 | 0.009 | 42.072 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | ASP | -1 | -0.806 | -0.898 | 43.381 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | GLY | 0 | 0.007 | 0.009 | 46.548 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | LEU | 0 | -0.037 | -0.013 | 46.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | ALA | 0 | 0.024 | 0.011 | 43.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | SER | 0 | -0.014 | -0.022 | 45.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | TRP | 0 | 0.005 | 0.001 | 38.132 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | SER | 0 | -0.013 | 0.006 | 45.949 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | PRO | 0 | 0.029 | 0.019 | 49.113 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | PRO | 0 | 0.047 | -0.007 | 52.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | GLU | -1 | -0.882 | -0.930 | 54.180 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | VAL | 0 | -0.087 | -0.036 | 53.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | LEU | 0 | -0.073 | -0.023 | 50.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | VAL | 0 | 0.011 | 0.010 | 54.588 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | LEU | 0 | 0.026 | 0.001 | 55.791 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | GLU | -1 | -0.797 | -0.875 | 57.282 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | GLY | 0 | 0.016 | 0.014 | 58.001 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | THR | 0 | 0.014 | 0.011 | 57.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | LEU | 0 | -0.029 | -0.004 | 51.767 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | ALA | 0 | 0.015 | 0.009 | 53.554 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ARG | 1 | 0.822 | 0.904 | 45.728 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | MET | 0 | -0.025 | -0.014 | 50.688 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | GLY | 0 | 0.026 | 0.019 | 52.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | GLN | 0 | 0.007 | 0.017 | 54.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | THR | 0 | -0.064 | -0.054 | 55.885 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | TYR | 0 | -0.010 | -0.014 | 54.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | ALA | 0 | 0.032 | 0.008 | 58.086 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | TYR | 0 | -0.066 | -0.046 | 55.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | ARG | 1 | 0.875 | 0.917 | 57.216 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | LEU | 0 | -0.053 | -0.018 | 52.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | TYR | 0 | 0.028 | 0.001 | 55.023 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | PRO | 0 | 0.000 | -0.007 | 54.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | LYS | 1 | 0.827 | 0.895 | 53.012 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | GLY | 0 | 0.049 | 0.038 | 52.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | ARG | 1 | 0.839 | 0.922 | 47.114 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | ARG | 1 | 0.872 | 0.924 | 41.864 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | PRO | 0 | 0.008 | -0.003 | 42.609 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | LEU | 0 | -0.042 | -0.013 | 38.644 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | ASP | -1 | -0.774 | -0.900 | 34.874 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | PRO | 0 | -0.068 | -0.039 | 32.731 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | LYS | 1 | 0.884 | 0.938 | 30.566 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | ASP | -1 | -0.786 | -0.869 | 30.729 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | PRO | 0 | -0.007 | -0.016 | 29.196 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | GLY | 0 | 0.040 | 0.032 | 31.386 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | GLU | -1 | -0.818 | -0.894 | 34.916 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | ARG | 1 | 0.798 | 0.871 | 26.023 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | SER | 0 | -0.085 | -0.047 | 33.133 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | VAL | 0 | 0.030 | 0.003 | 34.025 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | LEU | 0 | 0.004 | 0.006 | 35.611 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | SER | 0 | -0.020 | -0.017 | 32.363 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | ALA | 0 | -0.026 | -0.014 | 34.489 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | LEU | 0 | -0.007 | -0.002 | 36.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | ALA | 0 | 0.027 | 0.020 | 35.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | ARG | 1 | 0.952 | 0.988 | 34.221 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | ARG | 1 | 0.786 | 0.895 | 36.828 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | LEU | 0 | 0.002 | -0.001 | 39.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | LEU | 0 | -0.001 | 0.005 | 35.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | GLN | 0 | -0.022 | -0.020 | 39.200 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | GLU | -1 | -0.788 | -0.864 | 41.437 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | ARG | 1 | 0.887 | 0.954 | 41.479 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | LEU | 0 | 0.010 | -0.002 | 38.139 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | ARG | 1 | 0.816 | 0.886 | 42.668 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | ARG | 1 | 0.835 | 0.904 | 45.932 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | LEU | 0 | -0.038 | 0.000 | 41.734 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | GLU | -1 | -0.798 | -0.884 | 46.437 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | GLY | 0 | -0.008 | -0.013 | 46.762 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | VAL | 0 | -0.031 | -0.005 | 42.295 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | TRP | 0 | 0.010 | 0.002 | 42.270 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | VAL | 0 | 0.022 | 0.003 | 41.226 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | GLU | -1 | -0.806 | -0.879 | 39.437 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | GLY | 0 | 0.022 | 0.011 | 39.167 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | LEU | 0 | -0.002 | -0.012 | 35.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | ALA | 0 | -0.039 | 0.001 | 35.907 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | VAL | 0 | 0.004 | 0.006 | 36.867 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | TYR | 0 | -0.024 | -0.028 | 36.385 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | ARG | 1 | 0.816 | 0.884 | 36.477 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | ARG | 1 | 0.922 | 0.953 | 38.338 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | GLU | -1 | -0.783 | -0.868 | 41.603 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | HIS | 0 | -0.094 | -0.060 | 37.110 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | ALA | 0 | 0.074 | 0.043 | 41.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | ARG | 1 | 0.713 | 0.802 | 43.915 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | GLY | 0 | 0.120 | 0.081 | 47.302 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | PRO | 0 | 0.012 | -0.004 | 50.127 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | GLY | 0 | 0.041 | 0.010 | 52.248 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | TRP | 0 | -0.001 | -0.002 | 44.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | ARG | 1 | 0.902 | 0.943 | 45.877 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | VAL | 0 | 0.013 | 0.013 | 39.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | LEU | 0 | -0.007 | 0.003 | 41.603 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | GLY | 0 | 0.051 | 0.025 | 37.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | GLY | 0 | -0.008 | -0.038 | 36.100 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | ALA | 0 | -0.027 | 0.000 | 32.054 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | VAL | 0 | -0.008 | 0.008 | 30.302 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | LEU | 0 | -0.005 | -0.010 | 31.560 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | ASP | -1 | -0.868 | -0.948 | 30.375 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | LEU | 0 | -0.065 | -0.032 | 31.609 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | TRP | 0 | -0.026 | -0.007 | 24.780 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | VAL | 0 | 0.027 | 0.014 | 31.654 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | SER | 0 | 0.016 | 0.016 | 27.400 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | ASP | -1 | -0.784 | -0.903 | 25.319 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | SER | 0 | -0.042 | -0.031 | 27.050 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | GLY | 0 | -0.021 | -0.006 | 29.634 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | ALA | 0 | -0.023 | -0.011 | 30.599 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | PHE | 0 | -0.018 | -0.007 | 31.362 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | LEU | 0 | -0.007 | -0.004 | 25.144 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | LEU | 0 | -0.002 | 0.012 | 29.553 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | GLU | -1 | -0.819 | -0.904 | 25.020 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | VAL | 0 | 0.017 | 0.003 | 27.519 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | ASP | -1 | -0.781 | -0.880 | 26.337 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | PRO | 0 | -0.015 | -0.002 | 28.039 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | ALA | 0 | -0.041 | -0.023 | 30.479 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | TYR | 0 | 0.029 | 0.009 | 33.211 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | ARG | 1 | 0.847 | 0.909 | 36.597 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | ILE | 0 | 0.046 | 0.047 | 39.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | LEU | 0 | -0.068 | -0.030 | 42.164 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | CYS | 0 | 0.006 | 0.010 | 45.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | GLU | -1 | -0.819 | -0.867 | 48.868 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | MET | 0 | -0.042 | 0.007 | 51.965 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | SER | 0 | 0.030 | 0.015 | 53.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | LEU | 0 | 0.012 | -0.012 | 51.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | GLU | -1 | -0.751 | -0.836 | 54.137 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | ALA | 0 | -0.006 | 0.002 | 57.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | TRP | 0 | 0.022 | -0.017 | 47.911 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | LEU | 0 | 0.017 | 0.005 | 53.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | ALA | 0 | 0.004 | 0.012 | 55.977 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | GLN | 0 | -0.040 | -0.028 | 55.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | GLY | 0 | 0.018 | 0.016 | 56.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | HIS | 1 | 0.807 | 0.913 | 50.463 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | PRO | 0 | 0.057 | 0.032 | 48.182 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | LEU | 0 | 0.031 | 0.008 | 50.515 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | PRO | 0 | 0.010 | 0.030 | 46.612 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | LYS | 1 | 0.858 | 0.910 | 42.954 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | ARG | 1 | 0.812 | 0.885 | 41.090 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | VAL | 0 | 0.040 | 0.029 | 44.709 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | ARG | 1 | 0.859 | 0.929 | 45.759 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ASN | 0 | 0.028 | 0.026 | 47.858 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | ALA | 0 | 0.003 | -0.007 | 50.667 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | TYR | 0 | 0.022 | 0.002 | 52.817 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | ASP | -1 | -0.832 | -0.902 | 49.596 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | ARG | 1 | 0.844 | 0.894 | 43.833 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | ARG | 1 | 0.805 | 0.912 | 45.031 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | THR | 0 | -0.041 | -0.030 | 42.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | TRP | 0 | -0.003 | -0.014 | 45.245 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | GLU | -1 | -0.832 | -0.897 | 43.230 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | LEU | 0 | 0.038 | 0.019 | 45.832 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | LEU | 0 | -0.065 | -0.027 | 47.827 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | ARG | 1 | 0.893 | 0.946 | 50.491 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | LEU | 0 | 0.041 | 0.016 | 53.984 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | GLY | 0 | -0.040 | -0.025 | 57.124 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | GLU | -1 | -0.911 | -0.952 | 60.499 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | GLU | -1 | -0.781 | -0.878 | 61.073 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | ASP | -1 | -0.767 | -0.887 | 64.231 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | PRO | 0 | -0.024 | -0.027 | 62.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | LYS | 1 | 0.725 | 0.834 | 64.831 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | GLU | -1 | -0.802 | -0.873 | 67.977 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | LEU | 0 | -0.038 | -0.007 | 61.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | PRO | 0 | 0.004 | 0.011 | 64.926 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | LEU | 0 | -0.023 | -0.021 | 60.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | PRO | 0 | -0.030 | -0.039 | 59.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | GLY | 0 | 0.008 | 0.016 | 62.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | GLY | 0 | -0.007 | 0.005 | 65.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | LEU | 0 | -0.026 | -0.004 | 64.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | SER | 0 | 0.061 | 0.011 | 65.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | LEU | 0 | 0.000 | -0.017 | 58.973 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | LEU | 0 | 0.010 | 0.000 | 62.259 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | ASP | -1 | -0.798 | -0.870 | 64.499 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | TYR | 0 | -0.024 | -0.006 | 56.905 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | HIS | 0 | 0.032 | 0.001 | 56.531 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | ALA | 0 | 0.001 | 0.001 | 61.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | SER | 0 | 0.015 | 0.023 | 64.808 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | LYS | 1 | 0.773 | 0.884 | 59.250 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | GLY | 0 | 0.066 | 0.030 | 61.029 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | ARG | 1 | 0.833 | 0.923 | 55.214 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | LEU | 0 | 0.047 | 0.025 | 60.382 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | GLN | 0 | -0.005 | 0.008 | 63.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | GLY | 0 | 0.020 | 0.011 | 62.958 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | ARG | 1 | 0.801 | 0.895 | 57.945 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | GLU | -1 | -0.754 | -0.864 | 61.783 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | GLY | 0 | -0.010 | -0.016 | 61.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | GLY | 0 | -0.014 | -0.011 | 60.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | ARG | 1 | 0.843 | 0.904 | 60.309 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | VAL | 0 | 0.040 | 0.032 | 59.042 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | ALA | 0 | -0.034 | -0.021 | 54.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | TRP | 0 | -0.052 | -0.036 | 54.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | VAL | 0 | 0.006 | -0.009 | 49.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | ALA | 0 | 0.045 | 0.014 | 47.354 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | ASP | -1 | -0.847 | -0.889 | 45.081 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | PRO | 0 | -0.003 | 0.000 | 41.467 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | LYS | 1 | 0.850 | 0.883 | 38.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | ASP | -1 | -0.815 | -0.887 | 42.560 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | PRO | 0 | -0.032 | -0.029 | 42.713 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | ARG | 1 | 0.863 | 0.916 | 43.500 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | LYS | 1 | 0.857 | 0.926 | 48.229 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | PRO | 0 | -0.008 | 0.010 | 50.888 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | ILE | 0 | -0.031 | -0.022 | 52.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | PRO | 0 | 0.051 | 0.039 | 54.486 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | HIS | 0 | -0.030 | -0.027 | 52.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | LEU | 0 | 0.028 | 0.016 | 56.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | THR | 0 | -0.004 | -0.032 | 55.907 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | GLY | 0 | 0.022 | 0.019 | 56.408 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | LEU | 0 | -0.047 | -0.024 | 56.868 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | LEU | 0 | -0.016 | 0.001 | 51.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | VAL | 0 | -0.012 | -0.008 | 48.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | PRO | 0 | 0.032 | 0.024 | 47.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | VAL | 0 | -0.107 | -0.057 | 41.802 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | LEU | 0 | 0.019 | 0.015 | 43.364 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | THR | 0 | -0.057 | -0.032 | 38.438 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | LEU | 0 | 0.012 | -0.025 | 35.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | GLU | -1 | -0.919 | -0.957 | 39.658 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | ASP | -1 | -0.852 | -0.934 | 41.224 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | LEU | 0 | -0.150 | -0.061 | 41.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | HIS | 0 | 0.046 | 0.036 | 42.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | GLU | -1 | -0.951 | -0.979 | 43.388 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | GLU | -1 | -0.950 | -0.996 | 40.306 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | GLU | -1 | -0.917 | -0.943 | 40.699 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | GLY | 0 | -0.015 | -0.007 | 38.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | SER | 0 | -0.068 | -0.030 | 36.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | LEU | 0 | 0.061 | 0.039 | 37.274 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | ALA | 0 | -0.032 | -0.031 | 35.077 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | LEU | 0 | -0.041 | 0.004 | 34.366 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | SER | 0 | -0.037 | -0.034 | 29.510 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | LEU | 0 | -0.031 | -0.012 | 28.363 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | PRO | 0 | 0.030 | 0.021 | 24.703 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | TRP | 0 | 0.029 | -0.005 | 17.835 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | GLU | -1 | -0.842 | -0.904 | 22.855 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | GLU | -1 | -0.739 | -0.850 | 24.263 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | ARG | 1 | 0.785 | 0.879 | 24.928 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | ARG | 1 | 0.818 | 0.888 | 19.562 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | ARG | 1 | 0.921 | 0.956 | 25.181 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | ARG | 1 | 0.863 | 0.914 | 28.397 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | THR | 0 | -0.016 | -0.015 | 25.988 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | ARG | 1 | 0.980 | 1.004 | 23.041 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | GLU | -1 | -0.754 | -0.812 | 29.787 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | ILE | 0 | -0.012 | -0.010 | 32.320 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | ALA | 0 | 0.022 | 0.011 | 30.517 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | SER | 0 | -0.015 | -0.019 | 32.643 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | TRP | 0 | -0.041 | -0.022 | 34.885 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | ILE | 0 | 0.004 | -0.002 | 34.779 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | GLY | 0 | 0.065 | 0.025 | 35.989 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | ARG | 1 | 0.929 | 0.963 | 36.687 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | ARG | 1 | 0.811 | 0.904 | 39.964 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | LEU | 0 | -0.012 | 0.002 | 36.040 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | GLY | 0 | 0.023 | 0.018 | 39.959 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | LEU | 0 | -0.027 | -0.021 | 36.130 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | GLY | 0 | 0.039 | 0.024 | 36.189 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 305 | THR | 0 | 0.021 | -0.005 | 32.743 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | PRO | 0 | -0.014 | -0.009 | 31.221 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 307 | GLU | -1 | -0.886 | -0.933 | 27.705 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 308 | ALA | 0 | -0.060 | -0.024 | 24.458 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 309 | VAL | 0 | 0.023 | 0.007 | 21.214 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 310 | ARG | 1 | 0.924 | 0.955 | 18.450 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | ALA | 0 | 0.024 | 0.023 | 15.985 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | GLN | 0 | 0.040 | 0.000 | 12.030 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | ALA | 0 | -0.011 | 0.001 | 10.263 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | TYR | 0 | 0.054 | 0.021 | 6.910 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | ARG | 1 | 0.848 | 0.912 | 1.985 | -40.835 | -46.110 | 19.578 | -6.311 | -7.992 | 0.069 |
314 | A | 316 | LEU | 0 | 0.023 | 0.014 | 2.838 | -4.327 | -2.453 | 0.394 | -1.179 | -1.089 | -0.013 |
315 | A | 317 | SER | 0 | 0.028 | 0.009 | 2.377 | -3.454 | -1.399 | 1.814 | -1.756 | -2.113 | -0.015 |
316 | A | 318 | ILE | 0 | -0.022 | -0.019 | 2.483 | -0.078 | 1.116 | 2.355 | -0.447 | -3.101 | 0.002 |
317 | A | 319 | PRO | 0 | -0.022 | 0.009 | 4.413 | -0.252 | -0.192 | -0.001 | -0.010 | -0.048 | 0.000 |
318 | A | 320 | LYS | 1 | 0.984 | 0.977 | 7.904 | 1.630 | 1.630 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | LEU | 0 | 0.007 | -0.001 | 9.289 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | MET | 0 | -0.054 | -0.024 | 12.005 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | GLY | 0 | 0.056 | 0.037 | 15.285 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 324 | ARG | 1 | 0.886 | 0.936 | 18.722 | 0.506 | 0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 325 | ARG | 1 | 0.968 | 0.986 | 17.037 | 0.985 | 0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 326 | ALA | 0 | 0.022 | 0.007 | 13.225 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 327 | VAL | 0 | -0.045 | -0.019 | 13.173 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 328 | SER | 0 | 0.007 | 0.017 | 9.642 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 329 | LYS | 1 | 0.908 | 0.950 | 10.437 | 0.842 | 0.842 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 330 | PRO | 0 | 0.070 | 0.040 | 13.231 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 331 | ALA | 0 | 0.019 | 0.006 | 16.193 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 332 | ASP | -1 | -0.806 | -0.910 | 14.393 | -1.155 | -1.155 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 333 | ALA | 0 | 0.065 | 0.040 | 17.870 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 334 | LEU | 0 | -0.037 | -0.020 | 20.185 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 335 | ARG | 1 | 0.760 | 0.848 | 17.700 | 0.804 | 0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 336 | VAL | 0 | -0.068 | -0.015 | 18.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 337 | GLY | 0 | 0.044 | 0.033 | 21.441 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 338 | PHE | 0 | -0.005 | -0.025 | 21.525 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 339 | TYR | 0 | -0.026 | -0.008 | 18.931 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 340 | ARG | 1 | 0.967 | 0.982 | 21.559 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 341 | ALA | 0 | -0.021 | -0.009 | 25.135 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 342 | GLN | 0 | -0.025 | -0.019 | 28.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 343 | GLU | -1 | -0.809 | -0.884 | 31.645 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 344 | THR | 0 | -0.044 | -0.023 | 30.864 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 345 | ALA | 0 | 0.008 | 0.017 | 33.795 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 346 | LEU | 0 | -0.010 | -0.002 | 31.634 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 347 | ALA | 0 | 0.027 | 0.013 | 35.639 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 348 | LEU | 0 | -0.010 | 0.008 | 35.275 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 349 | LEU | 0 | -0.002 | -0.011 | 37.706 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 350 | ARG | 1 | 0.850 | 0.926 | 39.125 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 351 | LEU | 0 | -0.007 | -0.013 | 40.191 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 352 | ASP | -1 | -0.896 | -0.962 | 39.590 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 353 | GLY | 0 | 0.023 | 0.011 | 41.641 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 354 | ALA | 0 | -0.023 | 0.005 | 41.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 355 | GLN | 0 | 0.044 | 0.026 | 42.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 356 | GLY | 0 | 0.044 | 0.026 | 41.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 357 | TRP | 0 | 0.010 | -0.017 | 32.592 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 358 | PRO | 0 | 0.047 | 0.029 | 34.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 359 | GLU | -1 | -0.767 | -0.863 | 34.533 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 360 | PHE | 0 | -0.016 | -0.007 | 29.577 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 361 | LEU | 0 | -0.006 | -0.001 | 29.480 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 362 | ARG | 1 | 0.839 | 0.888 | 31.104 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 363 | ARG | 1 | 0.851 | 0.913 | 29.570 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 364 | ALA | 0 | -0.042 | -0.012 | 26.829 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 365 | LEU | 0 | 0.025 | 0.010 | 27.960 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 366 | LEU | 0 | 0.041 | 0.019 | 29.875 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 367 | ARG | 1 | 0.941 | 0.978 | 26.468 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 368 | ALA | 0 | 0.022 | 0.027 | 25.760 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 369 | PHE | 0 | 0.003 | 0.006 | 26.793 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 370 | GLY | 0 | 0.012 | 0.013 | 29.727 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 371 | ALA | 0 | -0.023 | -0.014 | 24.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 372 | SER | 0 | -0.017 | -0.026 | 26.317 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 373 | GLY | 0 | -0.063 | -0.006 | 27.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 374 | ALA | 0 | -0.007 | -0.004 | 30.922 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 375 | SER | 0 | 0.045 | 0.018 | 32.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 376 | LEU | 0 | -0.024 | -0.009 | 32.186 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 377 | ARG | 1 | 0.875 | 0.935 | 35.286 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 378 | LEU | 0 | -0.009 | -0.009 | 33.862 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 379 | HIS | 0 | 0.067 | 0.034 | 37.759 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 380 | THR | 0 | -0.043 | -0.030 | 39.472 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 381 | LEU | 0 | -0.002 | -0.005 | 40.395 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 382 | HIS | 0 | 0.008 | -0.019 | 43.444 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 383 | ALA | 0 | -0.021 | 0.007 | 46.347 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 384 | HIS | 0 | 0.047 | 0.024 | 46.389 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 385 | PRO | 0 | 0.041 | 0.010 | 44.857 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 386 | SER | 0 | -0.015 | -0.003 | 44.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 387 | GLN | 0 | -0.033 | -0.024 | 46.593 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 388 | GLY | 0 | 0.078 | 0.037 | 50.297 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 389 | LEU | 0 | 0.014 | -0.004 | 50.641 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 390 | ALA | 0 | 0.046 | 0.028 | 51.498 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 391 | PHE | 0 | 0.009 | 0.016 | 42.777 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 392 | ARG | 1 | 0.822 | 0.885 | 46.548 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 393 | GLU | -1 | -0.751 | -0.844 | 47.490 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 394 | ALA | 0 | -0.013 | -0.006 | 47.040 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 395 | LEU | 0 | -0.058 | -0.029 | 41.579 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 396 | ARG | 1 | 0.775 | 0.831 | 43.922 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 397 | LYS | 1 | 0.849 | 0.914 | 45.779 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 398 | ALA | 0 | -0.003 | -0.001 | 42.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 399 | LYS | 1 | 0.811 | 0.888 | 37.670 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 400 | GLU | -1 | -0.840 | -0.879 | 42.327 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 401 | GLU | -1 | -0.852 | -0.910 | 44.572 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 402 | GLY | 0 | 0.001 | -0.005 | 41.166 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 403 | VAL | 0 | -0.082 | -0.032 | 37.490 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 404 | GLN | 0 | 0.031 | 0.001 | 33.760 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 405 | ALA | 0 | -0.013 | -0.008 | 32.383 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 406 | VAL | 0 | 0.008 | 0.004 | 34.296 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 407 | LEU | 0 | -0.022 | -0.019 | 30.876 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 408 | VAL | 0 | 0.011 | 0.000 | 34.096 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 409 | LEU | 0 | -0.006 | 0.012 | 33.805 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 410 | THR | 0 | 0.052 | 0.001 | 36.083 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 411 | PRO | 0 | 0.048 | 0.030 | 36.547 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 412 | PRO | 0 | -0.039 | -0.024 | 35.190 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 413 | MET | 0 | 0.018 | 0.039 | 36.342 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 414 | ALA | 0 | 0.041 | 0.020 | 36.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 415 | TRP | 0 | 0.032 | 0.019 | 31.713 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 416 | GLU | -1 | -0.784 | -0.867 | 36.083 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 417 | ASP | -1 | -0.796 | -0.900 | 39.353 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 418 | ARG | 1 | 0.936 | 0.971 | 29.521 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 419 | ASN | 0 | -0.028 | -0.025 | 34.134 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 420 | ARG | 1 | 0.841 | 0.913 | 36.930 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 421 | LEU | 0 | 0.029 | 0.018 | 38.633 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 422 | LYS | 1 | 0.807 | 0.900 | 31.749 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 423 | ALA | 0 | 0.024 | 0.020 | 37.335 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 424 | LEU | 0 | -0.007 | 0.001 | 39.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 425 | LEU | 0 | -0.044 | -0.027 | 37.369 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 426 | LEU | 0 | -0.006 | -0.007 | 35.276 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 427 | ARG | 1 | 0.794 | 0.869 | 38.489 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 428 | GLU | -1 | -0.750 | -0.848 | 42.006 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 429 | GLY | 0 | 0.032 | 0.028 | 38.810 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 430 | LEU | 0 | -0.061 | -0.032 | 37.253 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 431 | PRO | 0 | 0.018 | 0.015 | 32.065 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 432 | SER | 0 | 0.066 | 0.037 | 32.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 433 | GLN | 0 | -0.065 | -0.027 | 27.702 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 434 | ILE | 0 | 0.003 | 0.013 | 30.830 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 435 | LEU | 0 | 0.001 | -0.007 | 29.274 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 436 | ASN | 0 | -0.003 | -0.005 | 31.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 437 | VAL | 0 | 0.059 | 0.018 | 32.906 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 438 | PRO | 0 | 0.000 | 0.010 | 34.119 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 439 | LEU | 0 | -0.025 | 0.008 | 28.931 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 440 | ARG | 1 | 0.899 | 0.925 | 30.548 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 441 | GLU | -1 | -0.731 | -0.867 | 29.590 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 442 | GLU | -1 | -0.848 | -0.916 | 26.238 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 443 | GLU | -1 | -0.870 | -0.898 | 25.428 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 444 | ARG | 1 | 0.864 | 0.899 | 18.414 | 0.592 | 0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 445 | HIS | 0 | -0.021 | -0.009 | 17.197 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 446 | ARG | 1 | 0.798 | 0.876 | 21.291 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 447 | TRP | 0 | 0.013 | -0.009 | 24.255 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 448 | GLU | -1 | -0.753 | -0.851 | 20.287 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 449 | ASN | 0 | 0.026 | 0.000 | 18.201 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 450 | ALA | 0 | -0.015 | 0.008 | 22.164 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 451 | LEU | 0 | 0.013 | -0.002 | 25.564 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 452 | LEU | 0 | -0.017 | -0.002 | 19.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 453 | GLY | 0 | 0.014 | 0.011 | 23.384 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 454 | LEU | 0 | -0.052 | -0.033 | 25.091 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 455 | LEU | 0 | 0.006 | -0.002 | 25.739 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 456 | ALA | 0 | 0.018 | 0.007 | 23.517 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 457 | LYS | 1 | 0.787 | 0.892 | 25.556 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 458 | ALA | 0 | 0.001 | 0.012 | 28.955 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 459 | GLY | 0 | 0.016 | 0.014 | 29.028 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 460 | LEU | 0 | -0.029 | 0.009 | 25.993 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 461 | GLN | 0 | 0.041 | 0.026 | 20.903 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 462 | VAL | 0 | -0.021 | -0.019 | 20.328 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 463 | VAL | 0 | -0.030 | -0.030 | 15.398 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 464 | ALA | 0 | -0.015 | 0.018 | 17.061 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 465 | LEU | 0 | -0.036 | -0.035 | 12.194 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 466 | SER | 0 | -0.010 | -0.018 | 10.294 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 467 | GLY | 0 | 0.024 | 0.030 | 12.495 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 468 | ALA | 0 | -0.032 | -0.014 | 13.827 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 469 | TYR | 0 | -0.036 | -0.033 | 10.796 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 470 | PRO | 0 | -0.006 | -0.013 | 14.999 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 471 | ALA | 0 | 0.013 | 0.026 | 18.225 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 472 | GLU | -1 | -0.739 | -0.806 | 20.107 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 473 | LEU | 0 | 0.010 | 0.001 | 22.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 474 | ALA | 0 | 0.005 | 0.010 | 20.247 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 475 | VAL | 0 | -0.001 | -0.006 | 22.320 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 476 | GLY | 0 | -0.021 | 0.003 | 24.540 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 477 | PHE | 0 | 0.022 | 0.004 | 25.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 478 | ASP | -1 | -0.910 | -0.979 | 27.783 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 479 | ALA | 0 | 0.058 | 0.025 | 29.885 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 480 | GLY | 0 | 0.023 | -0.002 | 31.938 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 481 | GLY | 0 | -0.111 | -0.063 | 31.704 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 482 | ARG | 1 | 0.816 | 0.893 | 32.559 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 483 | GLU | -1 | -0.847 | -0.920 | 34.325 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 484 | SER | 0 | 0.028 | 0.017 | 35.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 485 | PHE | 0 | 0.010 | 0.001 | 30.733 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 486 | ARG | 1 | 0.821 | 0.926 | 36.824 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 487 | PHE | 0 | -0.020 | -0.015 | 40.413 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 488 | GLY | 0 | 0.012 | 0.004 | 38.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 489 | GLY | 0 | 0.023 | 0.001 | 34.601 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 490 | ALA | 0 | -0.045 | -0.026 | 31.740 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 491 | ALA | 0 | 0.051 | 0.031 | 29.235 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 492 | CYS | 0 | -0.086 | -0.048 | 24.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 493 | ALA | 0 | 0.064 | 0.047 | 25.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 494 | VAL | 0 | -0.023 | -0.019 | 19.922 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 495 | GLY | 0 | 0.008 | 0.024 | 22.917 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 496 | GLY | 0 | 0.068 | 0.029 | 19.687 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 497 | ASP | -1 | -0.848 | -0.945 | 16.520 | -0.814 | -0.814 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 498 | GLY | 0 | 0.012 | 0.002 | 17.549 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 499 | GLY | 0 | 0.026 | 0.034 | 18.889 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 500 | HIS | 0 | -0.095 | -0.055 | 22.434 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 501 | LEU | 0 | -0.013 | 0.010 | 23.860 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 502 | LEU | 0 | -0.001 | -0.011 | 27.199 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 503 | TRP | 0 | 0.002 | -0.010 | 28.650 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 504 | THR | 0 | 0.032 | 0.012 | 30.657 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 505 | LEU | 0 | 0.001 | -0.008 | 33.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 506 | PRO | 0 | 0.002 | 0.006 | 36.026 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 507 | GLU | -1 | -0.725 | -0.817 | 38.858 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 508 | ALA | 0 | -0.055 | -0.024 | 41.834 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 509 | GLN | 0 | -0.019 | -0.004 | 42.921 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 510 | ALA | 0 | -0.013 | -0.015 | 46.615 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 511 | GLY | 0 | 0.029 | 0.022 | 49.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 512 | GLU | -1 | -0.873 | -0.919 | 46.736 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 513 | ARG | 1 | 0.800 | 0.871 | 41.980 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 514 | ILE | 0 | 0.033 | 0.017 | 41.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 515 | PRO | 0 | 0.023 | -0.007 | 37.886 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 516 | GLN | 0 | -0.029 | -0.025 | 37.349 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 517 | GLU | -1 | -0.796 | -0.878 | 37.811 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 518 | VAL | 0 | -0.050 | 0.000 | 36.669 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 519 | VAL | 0 | -0.039 | -0.028 | 32.239 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 520 | TRP | 0 | 0.059 | 0.028 | 33.947 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 521 | ASP | -1 | -0.802 | -0.893 | 35.904 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 522 | LEU | 0 | -0.117 | -0.058 | 32.611 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 523 | LEU | 0 | -0.008 | 0.000 | 29.648 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 524 | GLU | -1 | -0.758 | -0.862 | 32.518 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 525 | GLU | -1 | -0.766 | -0.848 | 35.090 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 526 | THR | 0 | -0.129 | -0.081 | 29.594 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 527 | LEU | 0 | 0.042 | 0.022 | 30.361 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 528 | TRP | 0 | 0.007 | -0.009 | 32.378 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 529 | ALA | 0 | -0.053 | -0.027 | 31.587 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 530 | PHE | 0 | -0.025 | -0.016 | 25.443 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 531 | ARG | 1 | 0.941 | 0.990 | 30.461 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 532 | ARG | 1 | 0.729 | 0.829 | 33.558 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 533 | LYS | 1 | 0.819 | 0.903 | 27.574 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 534 | ALA | 0 | -0.003 | -0.006 | 28.272 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 535 | GLY | 0 | -0.012 | 0.006 | 30.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 536 | ARG | 1 | 0.791 | 0.860 | 27.010 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 537 | LEU | 0 | 0.101 | 0.042 | 31.496 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 538 | PRO | 0 | -0.067 | -0.018 | 26.800 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 539 | SER | 0 | 0.004 | -0.026 | 25.708 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 540 | ARG | 1 | 0.780 | 0.856 | 22.296 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 541 | VAL | 0 | -0.010 | -0.009 | 24.395 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 542 | LEU | 0 | -0.022 | -0.008 | 18.126 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 543 | LEU | 0 | 0.022 | 0.012 | 22.467 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 544 | LEU | 0 | -0.013 | -0.012 | 19.286 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 545 | ARG | 1 | 0.833 | 0.893 | 23.377 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 546 | ASP | -1 | -0.803 | -0.897 | 24.791 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 547 | GLY | 0 | 0.009 | -0.015 | 26.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 548 | ARG | 1 | 0.806 | 0.905 | 27.268 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 549 | VAL | 0 | 0.002 | 0.025 | 30.766 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 550 | PRO | 0 | 0.025 | 0.028 | 31.460 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 551 | GLN | 0 | 0.026 | -0.001 | 29.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 552 | ASP | -1 | -0.835 | -0.917 | 31.942 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 553 | GLU | -1 | -0.835 | -0.935 | 34.488 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 554 | PHE | 0 | 0.024 | -0.012 | 29.300 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 555 | ALA | 0 | 0.000 | 0.016 | 33.161 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 556 | LEU | 0 | 0.043 | 0.027 | 35.184 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 557 | ALA | 0 | 0.036 | 0.015 | 32.853 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 558 | LEU | 0 | -0.033 | -0.019 | 29.288 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 559 | GLU | -1 | -0.855 | -0.916 | 32.718 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 560 | ALA | 0 | -0.019 | 0.001 | 35.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 561 | LEU | 0 | 0.000 | -0.004 | 29.220 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 562 | ALA | 0 | 0.004 | 0.005 | 33.231 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 563 | ARG | 1 | 0.792 | 0.888 | 34.414 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 564 | GLU | -1 | -0.928 | -0.958 | 34.840 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 565 | GLY | 0 | -0.027 | -0.005 | 34.304 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 566 | ILE | 0 | -0.085 | -0.029 | 29.068 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 567 | ALA | 0 | 0.039 | 0.017 | 26.787 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 568 | TYR | 0 | -0.030 | -0.045 | 25.485 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 569 | ASP | -1 | -0.729 | -0.827 | 21.745 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 570 | LEU | 0 | -0.006 | 0.014 | 23.760 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 571 | VAL | 0 | -0.019 | -0.021 | 19.019 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 572 | SER | 0 | -0.052 | -0.037 | 22.380 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 573 | VAL | 0 | 0.002 | -0.009 | 19.800 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 574 | ARG | 1 | 0.811 | 0.905 | 21.964 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 575 | LYS | 1 | 0.909 | 0.949 | 21.657 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 576 | SER | 0 | -0.008 | -0.016 | 22.700 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 577 | GLY | 0 | 0.046 | 0.022 | 24.733 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 578 | GLY | 0 | 0.033 | 0.019 | 21.222 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 579 | GLY | 0 | 0.020 | 0.036 | 21.009 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 580 | ARG | 1 | 0.717 | 0.833 | 20.217 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 581 | VAL | 0 | 0.042 | 0.027 | 14.778 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 582 | TYR | 0 | 0.005 | -0.009 | 17.747 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 583 | PRO | 0 | 0.029 | 0.033 | 14.748 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 584 | VAL | 0 | 0.000 | 0.013 | 15.837 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 585 | GLN | 0 | 0.026 | 0.004 | 16.309 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 586 | GLY | 0 | 0.040 | 0.033 | 14.222 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 587 | ARG | 1 | 0.765 | 0.843 | 12.952 | -0.887 | -0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 588 | LEU | 0 | -0.005 | 0.013 | 11.536 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 589 | ALA | 0 | 0.016 | 0.003 | 6.986 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 590 | ASP | -1 | -0.794 | -0.922 | 8.187 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 591 | GLY | 0 | 0.066 | 0.041 | 6.629 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 592 | LEU | 0 | -0.061 | -0.033 | 6.234 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 593 | TYR | 0 | 0.072 | 0.033 | 8.177 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 594 | VAL | 0 | -0.014 | -0.019 | 10.134 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 595 | PRO | 0 | 0.022 | 0.026 | 12.647 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 596 | LEU | 0 | -0.064 | -0.045 | 15.607 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 597 | GLU | -1 | -0.764 | -0.840 | 19.126 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 598 | ASP | -1 | -0.801 | -0.884 | 20.308 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 599 | LYS | 1 | 0.846 | 0.919 | 21.229 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 600 | THR | 0 | -0.048 | -0.033 | 20.376 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 601 | PHE | 0 | 0.038 | 0.015 | 14.266 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 602 | LEU | 0 | -0.038 | -0.016 | 15.306 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 603 | LEU | 0 | 0.016 | 0.006 | 10.459 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 604 | LEU | 0 | -0.040 | -0.020 | 11.530 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 605 | THR | 0 | 0.007 | 0.006 | 11.179 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 606 | VAL | 0 | -0.061 | -0.031 | 11.516 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 607 | HIS | 0 | 0.034 | 0.023 | 11.692 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 608 | ARG | 1 | 0.926 | 0.949 | 14.081 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 609 | ASP | -1 | -0.763 | -0.850 | 14.198 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 610 | PHE | 0 | -0.068 | -0.019 | 16.184 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 611 | ARG | 1 | 1.020 | 0.996 | 18.391 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 612 | GLY | 0 | 0.024 | 0.025 | 21.236 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 613 | THR | 0 | -0.006 | -0.016 | 19.866 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 614 | PRO | 0 | 0.031 | 0.017 | 15.890 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 615 | ARG | 1 | 0.944 | 0.962 | 18.624 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 616 | PRO | 0 | -0.002 | 0.017 | 16.409 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 617 | LEU | 0 | 0.001 | 0.000 | 16.245 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 618 | LYS | 1 | 0.927 | 0.953 | 17.352 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 619 | LEU | 0 | -0.050 | -0.022 | 15.912 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 620 | VAL | 0 | 0.013 | -0.001 | 19.694 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 621 | HIS | 0 | -0.038 | -0.018 | 20.367 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 622 | GLU | -1 | -0.712 | -0.815 | 22.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 623 | ALA | 0 | 0.037 | 0.018 | 25.315 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 624 | GLY | 0 | 0.018 | 0.018 | 24.415 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 625 | ASP | -1 | -0.867 | -0.914 | 23.623 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 626 | THR | 0 | -0.053 | -0.040 | 17.419 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 627 | PRO | 0 | 0.016 | 0.001 | 16.082 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 628 | LEU | 0 | 0.037 | 0.010 | 15.860 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 629 | GLU | -1 | -0.900 | -0.946 | 9.721 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 630 | ALA | 0 | 0.023 | 0.018 | 11.250 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 631 | LEU | 0 | 0.020 | 0.011 | 13.264 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 632 | ALA | 0 | -0.020 | -0.011 | 11.525 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 633 | HIS | 0 | -0.005 | 0.002 | 6.723 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 634 | GLN | 0 | 0.031 | 0.012 | 10.365 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 635 | ILE | 0 | 0.017 | 0.012 | 13.639 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 636 | PHE | 0 | -0.009 | 0.011 | 6.327 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 637 | HIS | 0 | 0.020 | 0.004 | 6.987 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 638 | LEU | 0 | 0.017 | 0.014 | 11.791 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 639 | THR | 0 | -0.080 | -0.055 | 13.563 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 640 | ARG | 1 | 0.794 | 0.891 | 10.031 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 641 | LEU | 0 | -0.025 | 0.010 | 13.372 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 642 | TYR | 0 | -0.004 | -0.002 | 15.308 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |