![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: QNY2Y
Calculation Name: 5M2N-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5M2N
Chain ID: A
UniProt ID: P42935
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 711 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18211901.630636 |
---|---|
FMO2-HF: Nuclear repulsion | 17926631.58166 |
FMO2-HF: Total energy | -285270.048976 |
FMO2-MP2: Total energy | -286104.759596 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F040176/ligand_interaction/ligand_F040176.png)
Ligand Interaction
![ligand interaction](./Kdata/F040176/ligand_interaction/ligand_interaction_F040176.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:GLU)
Summations of interaction energy for
fragment #1(A:3:GLU)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-34.126 | -33.005 | 25.221 | -13.774 | -12.568 | 0.123 |
Interaction energy analysis for fragmet #1(A:3:GLU)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 5 | ILE | 0 | 0.007 | -0.007 | 3.809 | -3.803 | -1.347 | -0.020 | -1.302 | -1.134 | 0.007 |
4 | A | 6 | THR | 0 | -0.005 | 0.005 | 6.204 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | PRO | 0 | 0.031 | 0.016 | 9.684 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | GLU | -1 | -0.782 | -0.856 | 11.611 | 19.032 | 19.032 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | ALA | 0 | -0.025 | -0.011 | 14.234 | -0.827 | -0.827 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ILE | 0 | 0.027 | 0.022 | 17.255 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | PHE | 0 | -0.018 | 0.004 | 19.817 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | ILE | 0 | 0.009 | -0.013 | 23.051 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | GLY | 0 | -0.028 | 0.016 | 25.566 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | ALA | 0 | -0.061 | -0.042 | 29.339 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | ASN | 0 | 0.017 | 0.013 | 31.699 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | LYS | 1 | 0.835 | 0.916 | 33.902 | -8.044 | -8.044 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | GLN | 0 | 0.027 | -0.001 | 37.264 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | THR | 0 | -0.005 | -0.010 | 38.851 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | GLN | 0 | -0.026 | 0.004 | 39.725 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | VAL | 0 | 0.002 | 0.007 | 34.303 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | SER | 0 | -0.018 | -0.025 | 34.140 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | ASP | -1 | -0.764 | -0.883 | 34.125 | 7.749 | 7.749 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | ILE | 0 | -0.043 | -0.025 | 33.336 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | HIS | 0 | 0.036 | 0.033 | 32.344 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | LYS | 1 | 0.964 | 0.987 | 34.298 | -7.741 | -7.741 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | VAL | 0 | -0.005 | 0.002 | 33.567 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | LYS | 1 | 0.808 | 0.908 | 28.457 | -10.070 | -10.070 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | LYS | 1 | 0.865 | 0.945 | 30.659 | -8.195 | -8.195 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | ILE | 0 | 0.019 | 0.018 | 26.857 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | VAL | 0 | 0.000 | -0.005 | 29.548 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | ALA | 0 | 0.010 | 0.009 | 28.869 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | PHE | 0 | 0.008 | -0.017 | 27.700 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | GLY | 0 | 0.032 | 0.025 | 29.509 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | ALA | 0 | -0.003 | -0.007 | 27.130 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | GLY | 0 | 0.088 | 0.029 | 27.544 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | LYS | 1 | 0.830 | 0.908 | 25.529 | -10.620 | -10.620 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | THR | 0 | -0.084 | -0.034 | 23.430 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | ILE | 0 | 0.038 | 0.018 | 26.098 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | ALA | 0 | -0.011 | 0.010 | 24.792 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | LEU | 0 | 0.012 | 0.009 | 23.568 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | TRP | 0 | 0.017 | -0.020 | 24.289 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | ASP | -1 | -0.829 | -0.918 | 25.024 | 10.550 | 10.550 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | PRO | 0 | -0.043 | -0.018 | 26.861 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | ILE | 0 | -0.023 | -0.022 | 29.008 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | GLU | -1 | -0.773 | -0.864 | 22.691 | 12.421 | 12.421 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | PRO | 0 | -0.001 | -0.004 | 24.537 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | ASN | 0 | -0.054 | -0.034 | 21.853 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | ASN | 0 | -0.031 | -0.010 | 23.610 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | LYS | 1 | 0.872 | 0.925 | 16.855 | -14.920 | -14.920 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | GLY | 0 | 0.023 | 0.005 | 22.350 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | VAL | 0 | -0.015 | -0.014 | 22.087 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | TYR | 0 | -0.071 | -0.053 | 19.529 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | ALA | 0 | 0.011 | 0.008 | 18.736 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | THR | 0 | 0.006 | 0.000 | 20.334 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | LEU | 0 | -0.001 | 0.010 | 21.410 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | LYS | 1 | 0.859 | 0.922 | 17.954 | -14.441 | -14.441 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | GLY | 0 | 0.048 | 0.002 | 23.962 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | HIS | 0 | -0.052 | -0.019 | 26.674 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | GLU | -1 | -0.937 | -0.968 | 28.376 | 9.278 | 9.278 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | ALA | 0 | -0.018 | -0.019 | 30.427 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | GLU | -1 | -0.893 | -0.927 | 31.758 | 8.409 | 8.409 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | VAL | 0 | -0.018 | -0.005 | 29.993 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | THR | 0 | -0.024 | -0.012 | 33.026 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | CYS | 0 | -0.089 | -0.035 | 36.010 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | VAL | 0 | 0.023 | 0.006 | 31.918 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | ARG | 1 | 0.860 | 0.937 | 35.031 | -7.666 | -7.666 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | PHE | 0 | 0.012 | -0.001 | 30.514 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | VAL | 0 | -0.033 | -0.008 | 35.843 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | PRO | 0 | -0.027 | -0.004 | 37.548 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | ASP | -1 | -0.961 | -0.979 | 38.554 | 7.519 | 7.519 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | SER | 0 | 0.001 | -0.009 | 36.507 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | ASP | -1 | -0.849 | -0.929 | 31.023 | 9.730 | 9.730 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | PHE | 0 | 0.003 | -0.004 | 31.720 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | MET | 0 | -0.039 | -0.012 | 29.144 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | VAL | 0 | 0.006 | 0.013 | 33.373 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | SER | 0 | 0.006 | 0.000 | 32.173 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | ALA | 0 | 0.018 | 0.006 | 34.186 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | SER | 0 | 0.025 | -0.003 | 32.968 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | GLU | -1 | -0.929 | -0.977 | 35.362 | 7.532 | 7.532 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | ASP | -1 | -0.775 | -0.881 | 32.818 | 8.539 | 8.539 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | HIS | 0 | -0.024 | -0.008 | 36.043 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | HIS | 0 | -0.024 | -0.003 | 33.309 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | VAL | 0 | -0.030 | -0.023 | 36.180 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | LYS | 1 | 0.740 | 0.824 | 29.066 | -9.734 | -9.734 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | ILE | 0 | -0.009 | 0.002 | 33.181 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | TRP | 0 | -0.014 | -0.027 | 25.489 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | LYS | 1 | 0.837 | 0.903 | 29.000 | -9.579 | -9.579 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | PHE | 0 | -0.001 | -0.008 | 26.421 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | THR | 0 | -0.006 | 0.010 | 22.284 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | ASP | -1 | -0.834 | -0.919 | 20.995 | 13.620 | 13.620 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | TYR | 0 | -0.027 | -0.019 | 23.430 | -0.571 | -0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | SER | 0 | 0.007 | -0.012 | 22.130 | -0.555 | -0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | HIS | 0 | -0.038 | -0.017 | 19.158 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | LEU | 0 | 0.007 | 0.002 | 23.306 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | GLN | 0 | 0.000 | 0.008 | 23.797 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | CYM | -1 | -0.790 | -0.830 | 25.506 | 9.485 | 9.485 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | ILE | 0 | -0.042 | -0.030 | 28.164 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | GLN | 0 | 0.016 | -0.006 | 30.808 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | THR | 0 | 0.013 | 0.008 | 31.938 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | ILE | 0 | -0.021 | -0.004 | 34.263 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | GLN | 0 | -0.017 | -0.018 | 35.607 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | HIS | 0 | -0.071 | -0.051 | 39.048 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | TYR | 0 | 0.007 | -0.011 | 41.213 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | SER | 0 | -0.022 | -0.004 | 41.990 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | LYS | 1 | 0.896 | 0.944 | 43.274 | -6.263 | -6.263 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | THR | 0 | 0.080 | 0.041 | 39.642 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | ILE | 0 | 0.002 | 0.003 | 39.311 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | VAL | 0 | -0.023 | -0.020 | 40.509 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | ALA | 0 | -0.012 | -0.005 | 42.433 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | LEU | 0 | 0.025 | 0.005 | 37.630 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | SER | 0 | -0.022 | -0.008 | 41.847 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | ALA | 0 | 0.020 | 0.021 | 40.208 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | LEU | 0 | -0.013 | -0.014 | 42.148 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | PRO | 0 | 0.035 | 0.020 | 41.689 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | SER | 0 | -0.032 | -0.014 | 41.510 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | LEU | 0 | -0.046 | -0.034 | 42.857 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | ILE | 0 | 0.027 | 0.014 | 38.742 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | SER | 0 | -0.054 | -0.019 | 42.944 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | VAL | 0 | 0.029 | 0.002 | 41.717 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | GLY | 0 | 0.046 | 0.022 | 43.918 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | CYS | 0 | -0.053 | 0.003 | 44.099 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | ALA | 0 | 0.068 | 0.017 | 44.868 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | ASP | -1 | -0.897 | -0.949 | 46.620 | 6.269 | 6.269 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | GLY | 0 | 0.001 | -0.005 | 49.045 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | THR | 0 | -0.085 | -0.045 | 47.907 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ILE | 0 | -0.015 | -0.008 | 48.263 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | SER | 0 | -0.008 | -0.027 | 45.887 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | ILE | 0 | -0.039 | -0.007 | 46.869 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | TRP | 0 | 0.012 | -0.008 | 41.980 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | ARG | 1 | 0.895 | 0.945 | 44.170 | -6.394 | -6.394 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | GLN | 0 | -0.015 | 0.021 | 37.983 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | ASN | 0 | -0.073 | -0.038 | 41.761 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | ILE | 0 | 0.032 | 0.016 | 42.002 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | GLN | 0 | -0.025 | -0.011 | 41.803 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | ASN | 0 | 0.018 | 0.001 | 37.353 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | ASP | -1 | -0.793 | -0.890 | 34.287 | 8.734 | 8.734 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | GLU | -1 | -0.876 | -0.923 | 35.844 | 8.369 | 8.369 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | PHE | 0 | 0.024 | -0.009 | 37.389 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | GLY | 0 | 0.024 | 0.025 | 40.526 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | LEU | 0 | -0.036 | -0.018 | 43.703 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | ALA | 0 | -0.033 | -0.014 | 46.103 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | HIS | 0 | 0.007 | -0.015 | 49.147 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | GLU | -1 | -0.789 | -0.845 | 47.899 | 6.446 | 6.446 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | PHE | 0 | -0.062 | -0.020 | 51.220 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | THR | 0 | 0.019 | -0.004 | 52.668 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | ILE | 0 | 0.022 | 0.028 | 54.779 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | LYS | 1 | 0.929 | 0.968 | 56.997 | -5.302 | -5.302 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | LYS | 1 | 0.813 | 0.885 | 58.702 | -5.025 | -5.025 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | GLY | 0 | 0.016 | 0.015 | 59.160 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | PHE | 0 | -0.050 | -0.035 | 54.885 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | PHE | 0 | -0.006 | 0.002 | 52.978 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | TYR | 0 | 0.026 | 0.017 | 47.495 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | PRO | 0 | -0.053 | -0.007 | 47.584 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | LEU | 0 | -0.004 | -0.020 | 46.805 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | CYS | 0 | -0.072 | -0.016 | 45.862 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | LEU | 0 | 0.025 | 0.010 | 45.247 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | SER | 0 | -0.002 | -0.001 | 46.205 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | LEU | 0 | 0.028 | 0.024 | 45.374 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | SER | 0 | 0.018 | 0.014 | 48.591 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | LYS | 1 | 0.984 | 0.993 | 49.509 | -6.223 | -6.223 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | VAL | 0 | -0.035 | 0.004 | 51.623 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | GLU | -1 | -0.766 | -0.904 | 55.299 | 5.215 | 5.215 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | GLU | -1 | -0.912 | -0.957 | 51.698 | 6.038 | 6.038 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | LYS | 1 | 0.889 | 0.942 | 51.531 | -6.033 | -6.033 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | LYS | 1 | 0.799 | 0.905 | 53.963 | -5.214 | -5.214 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | TYR | 0 | 0.015 | 0.001 | 48.354 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | LEU | 0 | -0.001 | -0.006 | 53.011 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | LEU | 0 | -0.017 | -0.018 | 49.113 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | ALA | 0 | -0.019 | 0.007 | 51.320 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | ILE | 0 | 0.004 | -0.015 | 50.705 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | GLY | 0 | 0.055 | 0.018 | 50.810 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | GLY | 0 | 0.081 | 0.020 | 50.357 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | THR | 0 | -0.005 | 0.032 | 51.604 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | ASN | 0 | -0.059 | -0.063 | 53.976 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | VAL | 0 | 0.036 | 0.039 | 56.425 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | ASN | 0 | -0.028 | -0.007 | 58.974 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | VAL | 0 | -0.004 | -0.010 | 54.609 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | PHE | 0 | -0.035 | -0.018 | 55.747 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | ILE | 0 | 0.006 | 0.008 | 55.360 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | ALA | 0 | 0.007 | -0.002 | 54.706 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | SER | 0 | 0.012 | 0.001 | 55.811 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | PHE | 0 | -0.013 | -0.006 | 49.875 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | ILE | 0 | 0.006 | 0.013 | 55.725 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | LEU | 0 | -0.053 | -0.037 | 49.265 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | SER | 0 | 0.029 | 0.014 | 53.239 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | ASP | -1 | -0.877 | -0.945 | 52.402 | 5.942 | 5.942 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | SER | 0 | -0.087 | -0.039 | 49.683 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | GLY | 0 | 0.057 | 0.028 | 50.364 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | ILE | 0 | -0.004 | -0.008 | 50.908 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | GLU | -1 | -0.850 | -0.909 | 53.690 | 5.211 | 5.211 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | LYS | 1 | 0.895 | 0.920 | 57.316 | -5.052 | -5.052 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | CYS | 0 | 0.021 | 0.025 | 54.962 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | ARG | 1 | 0.779 | 0.904 | 57.323 | -5.073 | -5.073 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | VAL | 0 | 0.018 | -0.001 | 57.536 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | VAL | 0 | -0.048 | -0.018 | 59.486 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | ALA | 0 | -0.010 | -0.007 | 60.729 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | GLU | -1 | -0.806 | -0.889 | 60.265 | 5.015 | 5.015 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | LEU | 0 | -0.021 | -0.001 | 58.038 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | GLU | -1 | -0.816 | -0.895 | 60.308 | 4.698 | 4.698 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | GLY | 0 | -0.008 | -0.027 | 62.365 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | HIS | 0 | -0.072 | -0.035 | 56.125 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | GLU | -1 | -0.864 | -0.928 | 59.643 | 4.913 | 4.913 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | ASP | -1 | -0.822 | -0.910 | 55.905 | 5.419 | 5.419 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | TRP | 0 | -0.034 | -0.023 | 50.771 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | VAL | 0 | 0.004 | 0.007 | 51.803 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | LYS | 1 | 0.809 | 0.895 | 47.505 | -6.100 | -6.100 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | SER | 0 | 0.020 | 0.002 | 45.865 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | LEU | 0 | 0.007 | -0.002 | 47.712 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | ALA | 0 | 0.019 | 0.010 | 47.118 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | PHE | 0 | 0.016 | 0.005 | 48.682 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | ARG | 1 | 0.774 | 0.873 | 48.963 | -5.802 | -5.802 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | HIS | 0 | 0.021 | 0.002 | 45.573 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | GLN | 0 | -0.034 | -0.021 | 50.784 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | GLU | -1 | -0.812 | -0.868 | 52.648 | 5.789 | 5.789 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | THR | 0 | -0.002 | 0.003 | 53.770 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | PRO | 0 | -0.058 | -0.043 | 56.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | GLY | 0 | 0.044 | 0.023 | 57.626 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | ASP | -1 | -0.795 | -0.880 | 58.515 | 4.994 | 4.994 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | TYR | 0 | -0.027 | -0.007 | 54.062 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | LEU | 0 | 0.023 | 0.011 | 54.722 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | LEU | 0 | -0.045 | -0.015 | 52.256 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | CYS | 0 | -0.010 | 0.010 | 50.603 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | SER | 0 | -0.014 | -0.012 | 51.789 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | GLY | 0 | 0.057 | 0.021 | 51.072 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | SER | 0 | -0.020 | 0.002 | 51.671 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | GLN | 0 | 0.007 | 0.002 | 51.195 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | ASP | -1 | -0.739 | -0.868 | 53.442 | 5.305 | 5.305 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | ARG | 1 | 0.886 | 0.950 | 54.049 | -5.295 | -5.295 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | TYR | 0 | -0.022 | 0.018 | 55.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | ILE | 0 | -0.001 | -0.004 | 51.576 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | ARG | 1 | 0.796 | 0.912 | 55.179 | -5.171 | -5.171 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | LEU | 0 | 0.029 | 0.022 | 54.704 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | TRP | 0 | -0.041 | -0.044 | 56.374 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | ARG | 1 | 0.798 | 0.865 | 57.921 | -4.911 | -4.911 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | ILE | 0 | -0.045 | -0.024 | 56.077 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | ARG | 1 | 0.970 | 0.997 | 59.926 | -4.783 | -4.783 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | ILE | 0 | 0.034 | 0.011 | 59.134 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | ASN | 0 | 0.002 | 0.008 | 63.028 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | ASP | -1 | -0.912 | -0.961 | 64.660 | 4.775 | 4.775 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | LEU | 0 | -0.050 | -0.014 | 65.964 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ILE | 0 | -0.043 | -0.025 | 67.937 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 255 | SER | 0 | 0.014 | 0.004 | 71.407 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 256 | ASN | 0 | -0.023 | -0.017 | 70.339 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 257 | LYS | 1 | 0.898 | 0.937 | 67.143 | -4.603 | -4.603 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 258 | GLN | 0 | 0.019 | -0.014 | 66.424 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 259 | TYR | 0 | -0.043 | -0.011 | 63.757 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 260 | LYS | 1 | 0.875 | 0.941 | 64.607 | -4.434 | -4.434 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 261 | PHE | 0 | 0.027 | 0.015 | 59.601 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 262 | GLN | 0 | -0.017 | -0.014 | 64.893 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 263 | ILE | 0 | 0.009 | 0.006 | 58.094 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 264 | ASP | -1 | -0.754 | -0.911 | 61.520 | 5.110 | 5.110 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 265 | ASP | -1 | -0.982 | -0.985 | 64.200 | 4.685 | 4.685 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 266 | GLU | -1 | -0.899 | -0.922 | 62.514 | 4.938 | 4.938 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 267 | LEU | 0 | -0.043 | 0.002 | 59.335 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 268 | ARG | 1 | 0.907 | 0.957 | 63.839 | -4.542 | -4.542 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 269 | VAL | 0 | 0.043 | 0.025 | 60.006 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 270 | GLY | 0 | -0.031 | -0.032 | 63.185 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 271 | ILE | 0 | 0.005 | 0.021 | 58.777 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 272 | ASN | 0 | -0.055 | -0.039 | 62.553 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 273 | PHE | 0 | -0.003 | 0.013 | 61.600 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 274 | GLU | -1 | -0.878 | -0.931 | 60.757 | 5.003 | 5.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 275 | ALA | 0 | 0.015 | 0.014 | 59.507 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 276 | LEU | 0 | -0.026 | -0.013 | 59.451 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 277 | ILE | 0 | -0.001 | 0.004 | 54.916 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 278 | MET | 0 | -0.004 | -0.001 | 51.057 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 279 | GLY | 0 | 0.070 | 0.018 | 56.006 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 280 | HIS | 0 | -0.108 | -0.057 | 56.232 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 281 | ASP | -1 | -0.765 | -0.876 | 51.510 | 5.673 | 5.673 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 282 | ASP | -1 | -0.879 | -0.938 | 50.514 | 5.955 | 5.955 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 283 | TRP | 0 | -0.026 | -0.039 | 47.925 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 284 | ILE | 0 | -0.006 | 0.007 | 49.021 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 285 | SER | 0 | -0.090 | -0.047 | 44.131 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 286 | SER | 0 | -0.033 | -0.045 | 42.858 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 287 | LEU | 0 | 0.000 | 0.001 | 44.927 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 288 | GLN | 0 | -0.038 | -0.009 | 41.333 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 289 | TRP | 0 | 0.025 | -0.015 | 44.979 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 290 | HIS | 0 | -0.008 | 0.002 | 44.781 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 291 | GLU | -1 | -0.970 | -0.964 | 43.254 | 6.850 | 6.850 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 292 | SER | 0 | 0.008 | -0.021 | 44.685 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 293 | ARG | 1 | 0.919 | 0.942 | 48.032 | -5.992 | -5.992 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 294 | LEU | 0 | 0.007 | 0.007 | 49.792 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 295 | GLN | 0 | 0.020 | 0.013 | 48.864 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 296 | LEU | 0 | -0.040 | -0.019 | 48.576 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 297 | LEU | 0 | 0.001 | 0.027 | 42.234 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 298 | ALA | 0 | 0.023 | -0.003 | 46.776 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 299 | ALA | 0 | -0.024 | -0.004 | 43.363 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 300 | THR | 0 | 0.022 | -0.003 | 45.409 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 301 | ALA | 0 | 0.040 | 0.006 | 45.522 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 302 | ASP | -1 | -0.783 | -0.850 | 47.078 | 6.055 | 6.055 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 303 | THR | 0 | -0.118 | -0.059 | 42.646 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 304 | SER | 0 | 0.084 | 0.024 | 45.242 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 305 | LEU | 0 | -0.058 | -0.033 | 41.615 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 306 | MET | 0 | -0.022 | -0.010 | 45.692 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 307 | VAL | 0 | 0.037 | 0.023 | 46.808 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 308 | TRP | 0 | -0.005 | -0.013 | 49.424 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 309 | GLU | -1 | -0.722 | -0.856 | 52.414 | 5.937 | 5.937 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 310 | PRO | 0 | -0.021 | -0.005 | 54.562 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 311 | ASP | -1 | -0.768 | -0.872 | 58.071 | 5.013 | 5.013 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 312 | GLU | -1 | -0.965 | -0.975 | 58.750 | 5.217 | 5.217 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 313 | THR | 0 | -0.110 | -0.057 | 60.926 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 314 | SER | 0 | -0.076 | -0.075 | 64.235 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 315 | GLY | 0 | 0.004 | 0.013 | 62.165 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 316 | ILE | 0 | -0.042 | -0.018 | 61.815 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 317 | TRP | 0 | 0.004 | 0.002 | 53.580 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 318 | VAL | 0 | -0.007 | -0.010 | 57.412 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 319 | CYS | 0 | -0.081 | -0.022 | 52.218 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 320 | SER | 0 | -0.009 | -0.016 | 52.307 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 321 | LEU | 0 | 0.012 | 0.005 | 45.838 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 322 | ARG | 1 | 0.847 | 0.903 | 48.743 | -5.903 | -5.903 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 323 | LEU | 0 | -0.029 | -0.009 | 42.728 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 324 | GLY | 0 | -0.034 | -0.021 | 43.525 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 325 | GLU | -1 | -0.962 | -0.975 | 44.416 | 5.996 | 5.996 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 339 | GLY | 0 | 0.010 | 0.001 | 42.663 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 340 | GLY | 0 | 0.027 | 0.040 | 43.480 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 341 | PHE | 0 | -0.077 | -0.040 | 39.784 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 342 | TRP | 0 | 0.002 | 0.020 | 39.167 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 343 | SER | 0 | 0.036 | 0.006 | 37.501 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 344 | CYS | 0 | -0.021 | 0.010 | 39.386 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 345 | LEU | 0 | -0.018 | 0.006 | 34.920 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 346 | TRP | 0 | -0.018 | -0.025 | 38.904 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 347 | PHE | 0 | -0.011 | 0.003 | 33.997 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 348 | THR | 0 | 0.051 | 0.028 | 38.844 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 349 | HIS | 0 | -0.038 | -0.035 | 33.455 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 350 | GLU | -1 | -0.883 | -0.943 | 34.839 | 8.373 | 8.373 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 351 | ARG | 1 | 0.879 | 0.932 | 38.728 | -7.291 | -7.291 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 352 | MET | 0 | 0.004 | 0.030 | 37.327 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 353 | ASP | -1 | -0.827 | -0.910 | 40.622 | 6.990 | 6.990 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 354 | PHE | 0 | -0.001 | -0.013 | 35.199 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 355 | PHE | 0 | 0.026 | 0.015 | 39.073 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 356 | LEU | 0 | -0.025 | -0.020 | 33.675 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 357 | THR | 0 | 0.015 | -0.021 | 36.794 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 358 | ASN | 0 | 0.056 | 0.060 | 34.866 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 359 | GLY | 0 | 0.047 | 0.023 | 36.124 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 360 | LYS | 1 | 0.920 | 0.930 | 36.803 | -6.783 | -6.783 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 361 | THR | 0 | -0.074 | -0.063 | 34.128 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 362 | GLY | 0 | 0.045 | 0.034 | 32.382 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 363 | SER | 0 | -0.041 | -0.032 | 31.465 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 364 | TRP | 0 | -0.020 | 0.000 | 30.411 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 365 | ARG | 1 | 0.873 | 0.938 | 33.067 | -7.395 | -7.395 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 366 | MET | 0 | 0.017 | 0.011 | 32.754 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 367 | TRP | 0 | 0.006 | 0.003 | 36.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 368 | ALA | 0 | 0.009 | 0.014 | 37.832 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 369 | THR | 0 | 0.013 | 0.004 | 39.931 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 370 | LYS | 1 | 0.906 | 0.954 | 43.342 | -6.120 | -6.120 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 371 | ASP | -1 | -0.882 | -0.948 | 44.838 | 6.037 | 6.037 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 372 | ASN | 0 | -0.017 | -0.017 | 47.341 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 373 | ILE | 0 | -0.050 | -0.010 | 49.232 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 374 | ILE | 0 | -0.034 | -0.028 | 45.280 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 375 | CYS | 0 | 0.008 | -0.009 | 43.217 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 376 | ASP | -1 | -0.814 | -0.856 | 38.406 | 7.622 | 7.622 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 377 | GLN | 0 | -0.040 | -0.025 | 36.783 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 378 | ARG | 1 | 0.808 | 0.866 | 33.720 | -7.948 | -7.948 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 379 | LEU | 0 | -0.015 | -0.011 | 27.818 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 380 | GLY | 0 | 0.038 | 0.031 | 30.885 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 381 | ILE | 0 | -0.072 | -0.015 | 26.258 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 382 | SER | 0 | -0.035 | -0.059 | 27.125 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 383 | GLY | 0 | 0.037 | 0.005 | 26.447 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 384 | ALA | 0 | -0.033 | 0.002 | 27.036 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 385 | THR | 0 | -0.004 | -0.012 | 28.995 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 386 | LYS | 1 | 0.955 | 0.974 | 31.036 | -8.011 | -8.011 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 387 | ASP | -1 | -0.790 | -0.866 | 27.910 | 9.644 | 9.644 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 388 | VAL | 0 | -0.016 | -0.003 | 23.576 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 389 | THR | 0 | -0.058 | -0.026 | 25.651 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 390 | ASP | -1 | -0.775 | -0.873 | 24.485 | 11.139 | 11.139 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 391 | ILE | 0 | -0.052 | -0.027 | 18.517 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 392 | ALA | 0 | 0.004 | 0.008 | 21.940 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 393 | TRP | 0 | -0.011 | -0.017 | 15.263 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 394 | SER | 0 | -0.001 | 0.028 | 21.041 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 395 | PRO | 0 | 0.009 | 0.002 | 21.652 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 396 | SER | 0 | -0.026 | -0.042 | 21.578 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 397 | GLY | 0 | -0.025 | -0.015 | 18.473 | 0.688 | 0.688 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 398 | GLU | -1 | -0.883 | -0.925 | 18.226 | 12.652 | 12.652 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 399 | TYR | 0 | -0.074 | -0.065 | 20.619 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 400 | LEU | 0 | -0.036 | -0.016 | 18.263 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 401 | LEU | 0 | -0.002 | 0.009 | 21.573 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 402 | ALA | 0 | 0.029 | 0.003 | 23.284 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 403 | THR | 0 | 0.028 | 0.033 | 25.222 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 404 | SER | 0 | -0.003 | -0.014 | 27.565 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 405 | LEU | 0 | 0.034 | 0.020 | 29.810 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 406 | ASP | -1 | -0.879 | -0.928 | 31.995 | 8.625 | 8.625 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 407 | GLN | 0 | -0.017 | -0.001 | 33.881 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 408 | THR | 0 | -0.055 | -0.045 | 31.377 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 409 | THR | 0 | -0.013 | -0.025 | 28.980 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 410 | ARG | 1 | 0.781 | 0.893 | 27.108 | -9.471 | -9.471 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 411 | LEU | 0 | 0.031 | 0.025 | 25.315 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 412 | PHE | 0 | -0.011 | -0.019 | 21.663 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 413 | ALA | 0 | 0.027 | 0.013 | 21.033 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 414 | PRO | 0 | -0.017 | -0.001 | 18.326 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 415 | TRP | 0 | 0.028 | -0.013 | 20.471 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 416 | ILE | 0 | -0.051 | -0.022 | 19.313 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 417 | TYR | 0 | 0.005 | 0.006 | 21.835 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 418 | ASP | -1 | -0.758 | -0.868 | 25.165 | 9.957 | 9.957 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 419 | ALA | 0 | 0.022 | -0.006 | 28.147 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 420 | SER | 0 | -0.108 | -0.066 | 30.432 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 421 | GLY | 0 | 0.027 | 0.016 | 28.807 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 422 | ARG | 1 | 0.901 | 0.955 | 25.411 | -10.530 | -10.530 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 423 | LYS | 1 | 0.915 | 0.967 | 19.089 | -13.934 | -13.934 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 424 | ARG | 1 | 0.845 | 0.913 | 21.986 | -11.277 | -11.277 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 425 | GLU | -1 | -0.921 | -0.946 | 19.640 | 13.410 | 13.410 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 426 | ILE | 0 | 0.029 | 0.013 | 16.670 | 0.930 | 0.930 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 427 | ALA | 0 | -0.049 | -0.018 | 17.388 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 428 | THR | 0 | -0.010 | -0.005 | 18.085 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 429 | TRP | 0 | 0.021 | 0.005 | 15.206 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 430 | HIS | 1 | 0.860 | 0.935 | 20.766 | -11.435 | -11.435 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 431 | GLU | -1 | -0.678 | -0.792 | 24.294 | 9.634 | 9.634 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 432 | PHE | 0 | 0.014 | -0.014 | 24.151 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 433 | SER | 0 | -0.020 | -0.015 | 28.230 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 434 | ARG | 1 | 0.798 | 0.857 | 29.476 | -8.492 | -8.492 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 435 | PRO | 0 | -0.036 | -0.007 | 30.250 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 436 | GLN | 0 | 0.062 | 0.030 | 33.129 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 437 | ILE | 0 | -0.006 | -0.004 | 33.971 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 438 | HIS | 0 | 0.005 | 0.002 | 36.493 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 439 | GLY | 0 | 0.003 | 0.002 | 36.494 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 440 | TYR | 0 | -0.068 | -0.041 | 36.783 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 441 | ASP | -1 | -0.854 | -0.929 | 35.463 | 7.935 | 7.935 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 442 | MET | 0 | -0.005 | 0.015 | 32.343 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 443 | ILE | 0 | -0.024 | -0.015 | 30.430 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 444 | CYS | 0 | -0.084 | -0.035 | 28.520 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 445 | VAL | 0 | -0.019 | -0.007 | 26.786 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 446 | GLU | -1 | -0.756 | -0.858 | 24.805 | 11.659 | 11.659 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 447 | THR | 0 | -0.050 | -0.045 | 24.394 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 448 | VAL | 0 | -0.012 | 0.008 | 27.412 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 449 | THR | 0 | 0.038 | 0.006 | 28.799 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 450 | ASP | -1 | -0.777 | -0.889 | 25.103 | 11.256 | 11.256 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 451 | THR | 0 | -0.031 | -0.015 | 27.869 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 452 | ARG | 1 | 0.843 | 0.903 | 30.691 | -8.155 | -8.155 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 453 | PHE | 0 | -0.030 | -0.001 | 29.334 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 454 | VAL | 0 | 0.029 | 0.026 | 30.841 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 455 | SER | 0 | -0.005 | -0.008 | 31.071 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 456 | GLY | 0 | 0.054 | 0.019 | 32.869 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 457 | GLY | 0 | 0.028 | 0.001 | 33.597 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 458 | ASP | -1 | -0.753 | -0.847 | 35.665 | 7.650 | 7.650 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 459 | GLU | -1 | -0.817 | -0.888 | 38.661 | 7.043 | 7.043 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 460 | LYS | 1 | 0.736 | 0.871 | 40.129 | -6.932 | -6.932 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 461 | ILE | 0 | -0.045 | -0.024 | 40.352 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 462 | LEU | 0 | -0.024 | -0.011 | 34.623 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 463 | ARG | 1 | 0.842 | 0.904 | 36.922 | -7.375 | -7.375 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 464 | SER | 0 | -0.004 | -0.007 | 34.756 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 465 | PHE | 0 | -0.026 | -0.015 | 34.214 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 466 | ASP | -1 | -0.737 | -0.839 | 34.342 | 8.102 | 8.102 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 467 | LEU | 0 | -0.023 | -0.001 | 29.766 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 468 | PRO | 0 | -0.022 | -0.003 | 33.906 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 469 | LYS | 1 | 1.003 | 0.981 | 35.416 | -7.240 | -7.240 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 470 | GLY | 0 | -0.019 | -0.014 | 36.311 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 471 | VAL | 0 | 0.061 | 0.018 | 30.838 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 472 | ALA | 0 | 0.037 | 0.032 | 31.538 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 473 | GLY | 0 | 0.001 | 0.001 | 31.607 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 474 | MET | 0 | -0.051 | -0.014 | 30.652 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 475 | LEU | 0 | 0.041 | 0.008 | 26.013 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 476 | GLN | 0 | 0.013 | 0.013 | 27.193 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 477 | LYS | 1 | 0.777 | 0.888 | 28.750 | -8.422 | -8.422 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 478 | PHE | 0 | -0.002 | -0.011 | 26.866 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 479 | VAL | 0 | -0.018 | -0.012 | 22.288 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 480 | GLY | 0 | -0.007 | 0.004 | 23.233 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 481 | ILE | 0 | 0.001 | 0.030 | 24.101 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 482 | GLN | 0 | -0.057 | -0.038 | 26.286 | -0.714 | -0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 483 | PHE | 0 | -0.004 | 0.006 | 28.987 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 533 | LEU | 0 | -0.014 | 0.005 | 34.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 534 | GLU | -1 | -0.802 | -0.910 | 33.754 | 8.321 | 8.321 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 535 | CYS | 0 | -0.094 | -0.038 | 30.327 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 536 | PRO | 0 | -0.023 | -0.010 | 26.861 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 537 | PRO | 0 | 0.006 | 0.012 | 29.500 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 538 | MET | 0 | 0.070 | 0.037 | 31.634 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 539 | GLU | -1 | -0.679 | -0.790 | 33.253 | 8.413 | 8.413 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 540 | ASP | -1 | -0.882 | -0.914 | 35.010 | 7.034 | 7.034 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 541 | GLN | 0 | 0.045 | 0.011 | 35.656 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 542 | LEU | 0 | -0.003 | -0.001 | 30.762 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 543 | GLN | 0 | -0.095 | -0.058 | 34.725 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 544 | ARG | 1 | 0.832 | 0.887 | 37.514 | -7.062 | -7.062 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 545 | HIS | 0 | -0.021 | 0.005 | 38.249 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 546 | LEU | 0 | -0.052 | -0.018 | 32.811 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 547 | LEU | 0 | 0.032 | 0.022 | 34.545 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 548 | TRP | 0 | -0.020 | -0.019 | 29.535 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 549 | PRO | 0 | -0.025 | -0.002 | 36.348 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 550 | GLU | -1 | -0.825 | -0.906 | 38.749 | 7.030 | 7.030 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 551 | VAL | 0 | -0.048 | -0.021 | 38.270 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 552 | GLU | -1 | -0.881 | -0.937 | 39.582 | 6.852 | 6.852 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 553 | LYS | 1 | 0.787 | 0.868 | 40.456 | -6.560 | -6.560 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 554 | LEU | 0 | 0.016 | 0.019 | 38.888 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 555 | TYR | 0 | 0.027 | 0.007 | 41.700 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 556 | GLY | 0 | 0.044 | 0.031 | 42.102 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 557 | HIS | 0 | -0.032 | -0.038 | 42.858 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 558 | GLY | 0 | 0.037 | 0.020 | 45.346 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 559 | PHE | 0 | -0.069 | -0.018 | 41.630 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 560 | GLU | -1 | -0.798 | -0.882 | 38.304 | 7.145 | 7.145 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 561 | ILE | 0 | -0.016 | -0.002 | 34.013 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 562 | THR | 0 | -0.039 | -0.037 | 32.371 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 563 | CYS | 0 | -0.074 | -0.023 | 28.757 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 564 | LEU | 0 | 0.036 | 0.003 | 29.235 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 565 | ASP | -1 | -0.818 | -0.897 | 26.163 | 11.224 | 11.224 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 566 | ILE | 0 | -0.011 | -0.003 | 27.748 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 567 | SER | 0 | -0.026 | -0.025 | 27.953 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 568 | PRO | 0 | 0.052 | 0.016 | 26.300 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 569 | ASP | -1 | -0.821 | -0.875 | 27.805 | 9.129 | 9.129 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 570 | GLN | 0 | -0.010 | -0.018 | 27.208 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 571 | LYS | 1 | 0.849 | 0.922 | 31.331 | -8.391 | -8.391 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 572 | LEU | 0 | -0.025 | -0.012 | 33.396 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 573 | ILE | 0 | -0.007 | 0.005 | 32.762 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 574 | ALA | 0 | 0.019 | 0.006 | 32.065 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 575 | SER | 0 | 0.015 | 0.001 | 32.698 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 576 | ALA | 0 | -0.007 | 0.001 | 33.059 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 577 | CYS | 0 | -0.030 | -0.009 | 34.964 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 578 | ARG | 1 | 0.753 | 0.839 | 35.769 | -7.713 | -7.713 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 579 | SER | 0 | -0.038 | -0.043 | 38.319 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 580 | ASN | 0 | 0.050 | 0.020 | 41.506 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 581 | ASN | 0 | -0.063 | -0.041 | 43.303 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 582 | VAL | 0 | -0.004 | 0.012 | 45.233 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 583 | GLN | 0 | -0.014 | 0.000 | 45.796 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 584 | ASN | 0 | -0.024 | 0.000 | 41.786 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 585 | ALA | 0 | -0.008 | -0.010 | 37.557 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 586 | VAL | 0 | -0.036 | -0.016 | 39.002 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 587 | ILE | 0 | -0.001 | 0.005 | 34.351 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 588 | ARG | 1 | 0.868 | 0.948 | 37.789 | -7.102 | -7.102 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 589 | ILE | 0 | 0.053 | 0.033 | 35.989 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 590 | PHE | 0 | 0.013 | 0.002 | 37.526 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 591 | SER | 0 | 0.045 | 0.035 | 37.509 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 592 | THR | 0 | -0.014 | -0.020 | 34.083 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 593 | GLU | -1 | -0.904 | -0.923 | 37.550 | 7.496 | 7.496 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 594 | ASN | 0 | 0.002 | -0.020 | 40.426 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 595 | TRP | 0 | 0.047 | 0.021 | 35.493 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 596 | LEU | 0 | -0.030 | -0.004 | 41.830 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 597 | GLU | -1 | -0.892 | -0.952 | 42.235 | 6.883 | 6.883 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 598 | ILE | 0 | 0.011 | -0.003 | 39.897 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 599 | LYS | 1 | 0.845 | 0.907 | 42.955 | -6.331 | -6.331 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 600 | PRO | 0 | 0.002 | 0.001 | 43.553 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 601 | ALA | 0 | 0.007 | 0.020 | 42.127 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 602 | LEU | 0 | 0.025 | 0.014 | 37.038 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 603 | PRO | 0 | -0.003 | 0.003 | 40.437 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 604 | PHE | 0 | 0.045 | 0.000 | 35.053 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 605 | HIS | 0 | -0.062 | -0.026 | 40.345 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 606 | SER | 0 | -0.016 | -0.035 | 36.721 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 607 | LEU | 0 | 0.029 | 0.019 | 38.093 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 608 | THR | 0 | 0.015 | -0.009 | 33.034 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 609 | ILE | 0 | 0.051 | 0.033 | 31.519 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 610 | THR | 0 | -0.082 | -0.064 | 27.997 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 611 | ARG | 1 | 0.888 | 0.921 | 23.582 | -10.851 | -10.851 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 612 | LEU | 0 | 0.005 | 0.014 | 27.755 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 613 | LYS | 1 | 0.871 | 0.916 | 20.924 | -12.456 | -12.456 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 614 | PHE | 0 | 0.033 | 0.032 | 26.672 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 615 | SER | 0 | -0.059 | -0.036 | 25.670 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 616 | LYS | 1 | 0.921 | 0.938 | 18.493 | -14.669 | -14.669 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 617 | ASP | -1 | -0.802 | -0.881 | 24.780 | 10.353 | 10.353 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 618 | GLY | 0 | -0.008 | -0.003 | 28.140 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 619 | LYS | 1 | 0.874 | 0.937 | 30.141 | -10.081 | -10.081 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 620 | PHE | 0 | 0.003 | 0.001 | 30.007 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 621 | LEU | 0 | -0.002 | 0.008 | 30.111 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 622 | LEU | 0 | -0.009 | -0.013 | 25.206 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 623 | SER | 0 | 0.053 | 0.018 | 29.273 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 624 | VAL | 0 | -0.021 | 0.004 | 26.369 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 625 | CYS | 0 | 0.008 | 0.019 | 29.669 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 626 | ARG | 1 | 1.012 | 0.992 | 31.169 | -8.485 | -8.485 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 627 | ASP | -1 | -0.852 | -0.913 | 32.633 | 8.249 | 8.249 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 628 | ARG | 1 | 0.859 | 0.922 | 31.221 | -8.447 | -8.447 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 629 | LYS | 1 | 0.885 | 0.952 | 31.726 | -7.627 | -7.627 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 630 | TRP | 0 | 0.025 | 0.001 | 28.399 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 631 | ALA | 0 | -0.038 | -0.026 | 31.317 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 632 | LEU | 0 | -0.006 | 0.004 | 28.862 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 633 | TRP | 0 | -0.009 | -0.013 | 32.802 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 634 | GLU | -1 | -0.864 | -0.951 | 34.336 | 8.570 | 8.570 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 635 | ARG | 1 | 0.821 | 0.915 | 33.010 | -8.928 | -8.928 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 636 | ASN | 0 | 0.042 | 0.026 | 36.748 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 637 | MET | 0 | -0.043 | -0.048 | 34.091 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 638 | GLU | -1 | -0.966 | -0.967 | 38.613 | 7.038 | 7.038 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 639 | ASP | -1 | -0.876 | -0.932 | 42.235 | 6.692 | 6.692 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 640 | ASN | 0 | -0.032 | -0.009 | 37.939 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 641 | THR | 0 | -0.031 | -0.023 | 40.066 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 642 | PHE | 0 | -0.021 | -0.030 | 34.308 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 643 | GLU | -1 | -0.916 | -0.943 | 39.055 | 6.883 | 6.883 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 644 | LEU | 0 | -0.093 | -0.036 | 36.933 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 645 | ARG | 1 | 0.860 | 0.937 | 36.499 | -8.436 | -8.436 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 646 | PHE | 0 | -0.026 | 0.000 | 33.378 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 647 | LYS | 1 | 0.895 | 0.935 | 34.358 | -7.570 | -7.570 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 648 | ASN | 0 | 0.067 | 0.037 | 31.852 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 649 | GLU | -1 | -0.767 | -0.877 | 33.754 | 7.841 | 7.841 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 650 | LYS | 1 | 0.792 | 0.885 | 33.144 | -8.989 | -8.989 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 651 | PRO | 0 | 0.016 | 0.057 | 28.800 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 652 | HIS | 0 | 0.041 | 0.023 | 23.931 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 653 | THR | 0 | -0.046 | -0.041 | 29.195 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 654 | ARG | 1 | 0.887 | 0.937 | 29.007 | -9.380 | -9.380 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 655 | ILE | 0 | 0.048 | 0.034 | 28.233 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 656 | ILE | 0 | -0.005 | 0.036 | 25.543 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 657 | TRP | 0 | -0.068 | -0.030 | 23.919 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 658 | ASP | -1 | -0.737 | -0.861 | 20.706 | 12.465 | 12.465 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 659 | ALA | 0 | -0.021 | -0.022 | 21.953 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 660 | ASP | -1 | -0.764 | -0.877 | 18.196 | 14.285 | 14.285 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 661 | TRP | 0 | -0.011 | 0.003 | 20.778 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 662 | ALA | 0 | -0.009 | 0.003 | 18.053 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 663 | PRO | 0 | 0.019 | 0.000 | 15.993 | -0.881 | -0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 664 | LEU | 0 | 0.045 | 0.012 | 19.284 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 665 | GLU | -1 | -0.974 | -0.975 | 18.560 | 16.336 | 16.336 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 666 | PHE | 0 | 0.012 | 0.000 | 17.246 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 667 | GLY | 0 | -0.006 | -0.003 | 19.911 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 668 | ASN | 0 | -0.004 | 0.018 | 23.295 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 669 | VAL | 0 | 0.033 | 0.004 | 20.299 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 670 | PHE | 0 | 0.001 | 0.009 | 21.877 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 671 | VAL | 0 | -0.008 | -0.005 | 17.811 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 672 | THR | 0 | 0.006 | -0.003 | 20.971 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 673 | ALA | 0 | 0.054 | 0.033 | 19.895 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 674 | SER | 0 | 0.054 | 0.021 | 21.874 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 675 | ARG | 1 | 0.968 | 0.958 | 23.922 | -9.104 | -9.104 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 676 | ASP | -1 | -0.881 | -0.910 | 25.500 | 10.927 | 10.927 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 677 | LYS | 1 | 0.903 | 0.945 | 22.723 | -11.197 | -11.197 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 678 | THR | 0 | -0.064 | -0.040 | 21.343 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 679 | VAL | 0 | 0.024 | 0.018 | 16.943 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 680 | LYS | 1 | 0.858 | 0.933 | 20.005 | -11.077 | -11.077 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 681 | VAL | 0 | 0.034 | 0.024 | 18.484 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 682 | TRP | 0 | 0.009 | -0.015 | 21.560 | -0.620 | -0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 683 | ARG | 1 | 0.837 | 0.893 | 20.589 | -13.802 | -13.802 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 684 | HIS | 0 | -0.049 | -0.012 | 25.693 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 685 | GLN | 0 | -0.004 | 0.004 | 28.956 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 686 | LYS | 1 | 0.883 | 0.924 | 31.482 | -9.397 | -9.397 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 687 | GLU | -1 | -0.923 | -0.951 | 32.025 | 9.657 | 9.657 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 688 | PRO | 0 | -0.034 | 0.004 | 35.989 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 689 | ALA | 0 | -0.025 | -0.029 | 36.611 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 690 | ASP | -1 | -0.741 | -0.880 | 35.570 | 8.984 | 8.984 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 691 | ASP | -1 | -0.842 | -0.940 | 33.632 | 8.917 | 8.917 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 692 | TYR | 0 | -0.087 | -0.054 | 27.095 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 693 | VAL | 0 | 0.000 | 0.011 | 28.603 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 694 | LEU | 0 | -0.075 | -0.043 | 24.670 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 695 | GLU | -1 | -0.748 | -0.818 | 21.302 | 14.172 | 14.172 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 696 | ALA | 0 | 0.022 | 0.005 | 20.146 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 697 | SER | 0 | -0.017 | -0.025 | 21.153 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 698 | ILE | 0 | 0.010 | 0.026 | 15.064 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 699 | LYS | 1 | 0.847 | 0.923 | 19.361 | -11.876 | -11.876 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 700 | HIS | 0 | 0.071 | 0.057 | 15.957 | 1.243 | 1.243 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 701 | THR | 0 | 0.090 | 0.040 | 19.541 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 702 | LYS | 1 | 0.840 | 0.913 | 20.900 | -11.954 | -11.954 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 703 | ALA | 0 | -0.052 | -0.027 | 21.890 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 704 | VAL | 0 | 0.045 | 0.031 | 18.244 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 705 | THR | 0 | -0.109 | -0.088 | 20.344 | -0.540 | -0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 706 | ALA | 0 | 0.017 | 0.018 | 18.346 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 707 | ILE | 0 | -0.036 | -0.021 | 15.798 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 708 | SER | 0 | 0.002 | 0.021 | 14.534 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 709 | ILE | 0 | -0.028 | -0.024 | 13.694 | 1.351 | 1.351 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 710 | HIS | 0 | -0.007 | 0.006 | 10.898 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 711 | ASP | -1 | -0.769 | -0.869 | 13.235 | 14.573 | 14.573 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 712 | SER | 0 | -0.038 | -0.018 | 12.970 | -0.562 | -0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 713 | MET | 0 | 0.001 | 0.009 | 12.866 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 714 | ILE | 0 | -0.023 | -0.029 | 6.379 | 0.837 | 0.837 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 715 | ARG | 1 | 0.827 | 0.894 | 1.773 | -127.293 | -131.109 | 21.204 | -10.016 | -7.371 | 0.132 |
639 | A | 716 | GLU | -1 | -0.881 | -0.932 | 9.627 | 22.804 | 22.804 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 717 | LYS | 1 | 0.863 | 0.943 | 9.539 | -33.559 | -33.559 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 718 | ILE | 0 | 0.022 | 0.020 | 12.354 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 719 | LEU | 0 | -0.005 | -0.002 | 6.758 | 1.526 | 1.526 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 720 | ILE | 0 | 0.000 | -0.009 | 10.132 | -1.971 | -1.971 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 721 | SER | 0 | -0.009 | 0.015 | 10.340 | 0.962 | 0.962 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 722 | VAL | 0 | 0.000 | -0.018 | 11.575 | -1.307 | -1.307 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 723 | GLY | 0 | 0.049 | 0.033 | 13.952 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 724 | LEU | 0 | -0.002 | -0.015 | 16.196 | -0.675 | -0.675 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 725 | GLU | -1 | -0.859 | -0.953 | 19.078 | 10.925 | 10.925 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 726 | ASN | 0 | -0.021 | -0.040 | 19.967 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 727 | GLY | 0 | 0.058 | 0.043 | 19.164 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 728 | GLU | -1 | -0.829 | -0.879 | 15.404 | 15.524 | 15.524 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 729 | ILE | 0 | 0.005 | -0.014 | 11.008 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 730 | TYR | 0 | -0.075 | -0.053 | 10.200 | 0.937 | 0.937 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 731 | LEU | 0 | 0.011 | 0.011 | 4.941 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 732 | TYR | 0 | -0.008 | -0.033 | 7.493 | 1.956 | 1.956 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 733 | SER | 0 | 0.018 | 0.013 | 7.883 | 1.035 | 1.035 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 734 | TYR | 0 | -0.041 | -0.062 | 9.604 | -0.710 | -0.710 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 735 | THR | 0 | 0.046 | 0.010 | 13.405 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 736 | LEU | 0 | 0.006 | 0.003 | 15.943 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 737 | GLY | 0 | 0.015 | 0.015 | 19.656 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 738 | LYS | 1 | 0.786 | 0.884 | 14.469 | -22.653 | -22.653 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 739 | PHE | 0 | 0.006 | 0.000 | 13.689 | 0.821 | 0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 740 | GLU | -1 | -0.844 | -0.910 | 10.236 | 25.321 | 25.321 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 741 | LEU | 0 | -0.043 | -0.012 | 8.502 | 1.104 | 1.104 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 742 | ILE | 0 | -0.009 | 0.000 | 2.853 | 1.241 | 1.799 | 0.174 | -0.194 | -0.539 | 0.000 |
666 | A | 743 | THR | 0 | 0.014 | -0.016 | 4.353 | 1.194 | 1.294 | -0.001 | -0.011 | -0.088 | 0.000 |
667 | A | 744 | GLN | 0 | -0.012 | 0.008 | 6.704 | -0.834 | -0.834 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 745 | LEU | 0 | -0.033 | -0.014 | 8.028 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 746 | ASN | 0 | 0.005 | -0.019 | 9.918 | -1.097 | -1.097 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 747 | GLU | -1 | -0.896 | -0.949 | 12.344 | 13.593 | 13.593 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 748 | ASP | -1 | -0.843 | -0.901 | 15.507 | 14.691 | 14.691 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 749 | ILE | 0 | -0.054 | -0.028 | 10.308 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 750 | THR | 0 | -0.023 | 0.017 | 13.347 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 751 | PRO | 0 | -0.017 | -0.001 | 15.558 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 752 | ALA | 0 | 0.027 | 0.012 | 18.928 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 753 | ASP | -1 | -0.803 | -0.880 | 21.534 | 9.965 | 9.965 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 754 | LYS | 1 | 0.943 | 0.973 | 21.342 | -10.335 | -10.335 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 755 | ILE | 0 | -0.030 | 0.020 | 16.867 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 756 | THR | 0 | -0.107 | -0.073 | 20.340 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 757 | ARG | 1 | 0.884 | 0.928 | 20.313 | -12.116 | -12.116 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 758 | LEU | 0 | -0.010 | 0.011 | 13.932 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 759 | ARG | 1 | 0.795 | 0.868 | 16.010 | -12.514 | -12.514 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 760 | TRP | 0 | 0.019 | 0.013 | 7.551 | 0.886 | 0.886 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 761 | SER | 0 | -0.002 | 0.012 | 13.404 | -1.041 | -1.041 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 762 | HIS | 0 | -0.029 | -0.031 | 14.143 | 1.002 | 1.002 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 763 | LEU | 0 | -0.007 | 0.015 | 15.848 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 764 | LYS | 1 | 0.883 | 0.949 | 11.309 | -22.023 | -22.023 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 765 | ARG | 1 | 0.950 | 0.978 | 12.506 | -17.174 | -17.174 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 766 | ASN | 0 | -0.043 | -0.032 | 11.510 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 767 | GLY | 0 | 0.023 | 0.015 | 9.615 | 0.873 | 0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 768 | LYS | 1 | 0.824 | 0.891 | 7.656 | -18.951 | -18.951 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 769 | LEU | 0 | 0.001 | 0.006 | 7.042 | -1.983 | -1.983 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 770 | PHE | 0 | 0.018 | -0.015 | 8.873 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 771 | LEU | 0 | -0.026 | -0.006 | 10.225 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 772 | GLY | 0 | 0.028 | 0.015 | 12.167 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 773 | VAL | 0 | -0.014 | -0.024 | 14.337 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 774 | GLY | 0 | 0.059 | 0.040 | 17.277 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 775 | SER | 0 | -0.004 | -0.024 | 20.348 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 776 | SER | 0 | 0.030 | -0.022 | 22.328 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 777 | ASP | -1 | -0.870 | -0.891 | 21.716 | 11.864 | 11.864 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 778 | LEU | 0 | 0.006 | 0.040 | 24.357 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 779 | SER | 0 | -0.087 | -0.080 | 21.299 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 780 | THR | 0 | -0.006 | -0.014 | 20.173 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 781 | ARG | 1 | 0.822 | 0.911 | 16.455 | -13.935 | -13.935 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 782 | ILE | 0 | -0.010 | -0.003 | 13.630 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 783 | TYR | 0 | -0.028 | -0.047 | 9.730 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 784 | SER | 0 | -0.060 | -0.051 | 8.674 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 785 | LEU | 0 | 0.007 | -0.001 | 2.312 | 0.033 | 0.000 | 1.740 | -0.616 | -1.091 | 0.002 |
709 | A | 786 | ALA | 0 | -0.009 | 0.004 | 3.294 | -2.259 | -1.689 | 0.017 | -0.137 | -0.450 | 0.000 |
710 | A | 787 | TYR | 0 | -0.016 | -0.016 | 2.449 | 5.755 | 6.888 | 2.108 | -1.493 | -1.748 | -0.018 |
711 | A | 788 | GLU | -1 | -0.926 | -0.952 | 4.758 | 35.836 | 35.989 | -0.001 | -0.005 | -0.147 | 0.000 |