FMODB ID: 7J11K
Calculation Name: 6LZG-AB-Modeling196-1
Preferred Name: Angiotensin-converting enzyme 2
Target Type: SINGLE PROTEIN
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 6LZG
Chain ID: AB
ChEMBL ID: CHEMBL3736
UniProt ID: Q9BYF1
Base Structure: Modeling
Registration Date: 2021-02-24
Reference: C. Watanabe, Y. Okiyama, S. Tanaka, K. Fukuzawa, T. Honma, Molecular Recognition of SARS-CoV-2 Spike Glycoprotein: Quantum Chemical Hot Spot and Epitope Analyses, To be published (doi:10.26434/chemrxiv.13200176).
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | Induced fit around N501Y |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | All crystal waters in PDB. |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Manual |
Number of fragment | 1110 |
LigandCharge | |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -24244040.486037 |
---|---|
FMO2-HF: Nuclear repulsion | 23894670.311784 |
FMO2-HF: Total energy | -349370.174253 |
FMO2-MP2: Total energy | -350371.992186 |
3D Structure
Ligand structure
Ligand Interaction
SARS-CoV-2 S-protein (N501Y) and ACE2 binding energy (frag 597-788 : frag 1-596)
"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. |
-968.1682 | -903.1602 | 145.4464 | -72.7208 | -137.7336 | 0.3516 |
Interactive mode: IFIE and PIEDA for fragment #1(A:19:SER )
Summations of interaction energy for
fragment #1(A:19:SER )
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. |
-23.003 | -15.458 | 8.424 | -7.372 | -8.596 | -0.014 |
Interaction energy analysis for fragmet #1(A:19:SER )
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 | 21 | ILE | 0 | 0.110 | 0.046 | 3.358 | -4.317 | -2.536 | 0.005 | -0.954 | -0.833 | 0.002 |
4 | A | 22 | GLU | -1 | -0.743 | -0.840 | 5.609 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 23 | GLU | -1 | -0.919 | -0.961 | 2.343 | -6.720 | -4.615 | 3.360 | -2.630 | -2.834 | -0.026 |
6 | A | 24 | GLN | 0 | -0.022 | -0.016 | 2.381 | -7.014 | -5.123 | 1.023 | -1.359 | -1.556 | -0.013 |
7 | A | 25 | ALA | 0 | 0.053 | 0.034 | 4.951 | 0.886 | 0.938 | -0.001 | -0.003 | -0.047 | 0.000 |
8 | A | 26 | LYS | 1 | 0.845 | 0.923 | 7.202 | 1.457 | 1.457 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 27 | THR | 0 | -0.015 | -0.007 | 5.666 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 28 | PHE | 0 | -0.035 | -0.007 | 8.205 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 29 | LEU | 0 | 0.014 | -0.012 | 10.464 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 30 | ASP | -1 | -0.851 | -0.918 | 11.056 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 31 | LYS | 1 | 0.878 | 0.933 | 12.410 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 32 | PHE | 0 | 0.025 | 0.016 | 14.315 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 33 | ASN | 0 | 0.010 | 0.016 | 16.027 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 34 | HIS | 0 | -0.058 | -0.028 | 16.015 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 35 | GLU | -1 | -0.878 | -0.941 | 18.632 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 36 | ALA | 0 | 0.018 | -0.002 | 20.224 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 37 | GLU | -1 | -0.808 | -0.885 | 21.896 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 38 | ASP | -1 | -0.813 | -0.899 | 23.812 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 39 | LEU | 0 | 0.006 | -0.001 | 23.295 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 40 | PHE | 0 | 0.016 | 0.011 | 25.974 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 41 | TYR | 0 | -0.035 | -0.021 | 27.788 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 42 | GLN | 0 | -0.035 | -0.034 | 29.610 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 43 | SER | 0 | -0.044 | -0.015 | 30.652 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 44 | SER | 0 | 0.030 | 0.004 | 31.178 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 45 | LEU | 0 | -0.038 | -0.006 | 33.751 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 46 | ALA | 0 | -0.005 | -0.004 | 35.398 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 47 | SER | 0 | 0.024 | 0.005 | 36.359 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 48 | TRP | 0 | 0.014 | 0.027 | 37.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 49 | ASN | 0 | 0.002 | -0.016 | 39.529 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 50 | TYR | 0 | -0.007 | 0.000 | 41.284 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 51 | ASN | 0 | -0.052 | -0.049 | 40.608 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 52 | THR | 0 | 0.008 | 0.002 | 43.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 53 | ASN | 0 | -0.252 | -0.206 | 45.625 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 54 | ILE | 0 | -0.010 | 0.023 | 46.478 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 55 | THR | 0 | -0.024 | -0.024 | 46.965 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 56 | GLU | -1 | -0.911 | -0.974 | 46.572 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 57 | GLU | -1 | -0.924 | -0.963 | 44.069 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 58 | ASN | 0 | -0.037 | -0.031 | 42.748 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 59 | VAL | 0 | 0.018 | 0.015 | 41.618 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 60 | GLN | 0 | 0.018 | 0.019 | 40.950 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 61 | ASN | 0 | -0.021 | -0.012 | 38.549 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 62 | MET | 0 | -0.018 | -0.003 | 36.994 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 63 | ASN | 0 | 0.031 | 0.024 | 36.160 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 64 | ASN | 0 | -0.008 | 0.003 | 35.043 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 65 | ALA | 0 | -0.039 | -0.019 | 32.460 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 66 | GLY | 0 | 0.047 | 0.024 | 31.234 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 67 | ASP | -1 | -0.907 | -0.958 | 30.909 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 68 | LYS | 1 | 0.894 | 0.942 | 28.410 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 69 | TRP | 0 | 0.035 | 0.040 | 23.780 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 70 | SER | 0 | 0.039 | 0.011 | 26.071 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 71 | ALA | 0 | -0.061 | -0.029 | 26.129 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 72 | PHE | 0 | 0.025 | 0.012 | 19.643 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 73 | LEU | 0 | 0.022 | 0.002 | 21.532 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 74 | LYS | 1 | 0.947 | 0.974 | 21.736 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 75 | GLU | -1 | -0.955 | -0.978 | 19.950 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 76 | GLN | 0 | 0.032 | 0.051 | 16.396 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 77 | SER | 0 | 0.017 | 0.019 | 16.940 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 78 | THR | 0 | -0.011 | -0.008 | 17.770 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 79 | LEU | 0 | -0.031 | -0.029 | 13.522 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 80 | ALA | 0 | 0.030 | 0.016 | 12.956 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 81 | GLN | 0 | -0.032 | -0.001 | 13.735 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 82 | MET | 0 | -0.096 | -0.025 | 11.607 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 83 | TYR | 0 | -0.017 | 0.000 | 6.754 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 84 | PRO | 0 | 0.031 | 0.023 | 10.275 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 85 | LEU | 0 | 0.055 | -0.002 | 12.473 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 86 | GLN | 0 | -0.053 | -0.024 | 14.828 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 87 | GLU | -1 | -0.893 | -0.941 | 9.990 | -1.009 | -1.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 88 | ILE | 0 | -0.062 | -0.011 | 10.379 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 89 | GLN | 0 | -0.032 | -0.025 | 12.273 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 90 | ASN | 0 | -0.288 | -0.223 | 12.545 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 91 | LEU | 0 | 0.113 | 0.044 | 14.322 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 92 | THR | 0 | 0.039 | 0.027 | 15.562 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 93 | VAL | 0 | -0.024 | 0.001 | 10.827 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 94 | LYS | 1 | 0.947 | 0.982 | 14.195 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 95 | LEU | 0 | 0.024 | 0.021 | 15.936 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 96 | GLN | 0 | -0.018 | -0.016 | 15.942 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 97 | LEU | 0 | 0.007 | -0.006 | 11.434 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 98 | GLN | 0 | -0.001 | 0.007 | 15.895 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 99 | ALA | 0 | -0.037 | -0.013 | 18.909 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 100 | LEU | 0 | -0.017 | -0.001 | 16.543 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 101 | GLN | 0 | -0.050 | -0.056 | 14.436 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 102 | GLN | 0 | -0.008 | 0.005 | 19.043 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 103 | ASN | 0 | 0.013 | 0.019 | 21.863 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 104 | GLY | 0 | 0.087 | 0.070 | 24.358 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 105 | SER | 0 | -0.018 | -0.050 | 27.784 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 106 | SER | 0 | -0.116 | -0.066 | 25.310 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 107 | VAL | 0 | 0.053 | 0.038 | 25.758 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 108 | LEU | 0 | -0.088 | -0.029 | 27.309 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 109 | SER | 0 | 0.043 | 0.031 | 29.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 110 | GLU | -1 | -0.852 | -0.944 | 30.339 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 111 | ASP | -1 | -0.839 | -0.896 | 32.633 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 112 | LYS | 1 | 0.922 | 0.971 | 34.709 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 113 | SER | 0 | 0.008 | 0.021 | 32.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 114 | LYS | 1 | 0.947 | 0.974 | 34.242 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 115 | ARG | 1 | 0.912 | 0.958 | 36.740 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 116 | LEU | 0 | 0.033 | 0.016 | 34.732 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 117 | ASN | 0 | 0.018 | -0.007 | 33.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 118 | THR | 0 | -0.010 | 0.008 | 37.863 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 119 | ILE | 0 | 0.000 | 0.009 | 41.278 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 120 | LEU | 0 | -0.009 | -0.005 | 36.940 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 121 | ASN | 0 | 0.017 | 0.007 | 39.195 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 122 | THR | 0 | -0.034 | -0.009 | 42.631 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 123 | MET | 0 | -0.037 | -0.015 | 42.898 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 124 | SER | 0 | 0.038 | 0.035 | 43.313 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 125 | THR | 0 | 0.024 | -0.001 | 45.400 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 126 | ILE | 0 | -0.019 | -0.005 | 47.968 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 127 | TYR | 0 | -0.044 | -0.041 | 48.170 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 128 | SER | 0 | -0.009 | -0.011 | 48.069 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 129 | THR | 0 | -0.071 | -0.031 | 50.360 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 130 | GLY | 0 | 0.036 | 0.028 | 53.097 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 131 | LYS | 1 | 0.932 | 0.987 | 55.047 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 132 | VAL | 0 | 0.027 | 0.017 | 58.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 141 | CYS | 0 | -0.108 | -0.037 | 61.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 134 | ASN | 0 | 0.037 | 0.014 | 65.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 135 | PRO | 0 | -0.015 | -0.021 | 68.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 136 | ASP | -1 | -0.900 | -0.954 | 71.110 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 137 | ASN | 0 | -0.049 | -0.021 | 71.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 138 | PRO | 0 | -0.016 | -0.011 | 68.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 139 | GLN | 0 | -0.046 | -0.029 | 66.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 140 | GLU | -1 | -0.914 | -0.928 | 66.737 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 142 | LEU | 0 | -0.023 | -0.011 | 61.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 143 | LEU | 0 | -0.014 | -0.008 | 55.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 144 | LEU | 0 | 0.028 | 0.019 | 52.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 145 | GLU | -1 | -0.909 | -0.911 | 53.038 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 146 | PRO | 0 | -0.007 | -0.026 | 55.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 147 | GLY | 0 | 0.026 | 0.004 | 58.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 148 | LEU | 0 | 0.039 | 0.016 | 58.241 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 149 | ASN | 0 | -0.005 | -0.007 | 54.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 150 | GLU | -1 | -0.851 | -0.897 | 58.476 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 151 | ILE | 0 | 0.057 | 0.039 | 61.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 152 | MET | 0 | -0.093 | -0.043 | 59.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 153 | ALA | 0 | 0.016 | 0.013 | 59.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 154 | ASN | 0 | -0.051 | -0.023 | 61.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 155 | SER | 0 | -0.017 | -0.018 | 64.742 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 156 | LEU | 0 | 0.016 | 0.000 | 66.945 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 157 | ASP | -1 | -0.800 | -0.842 | 69.659 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 158 | TYR | 0 | 0.014 | -0.005 | 69.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 159 | ASN | 0 | 0.026 | -0.009 | 69.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 160 | GLU | -1 | -0.807 | -0.877 | 67.479 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 161 | ARG | 1 | 0.796 | 0.876 | 62.058 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 162 | LEU | 0 | -0.042 | -0.021 | 64.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 163 | TRP | 0 | -0.001 | 0.000 | 65.180 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 164 | ALA | 0 | 0.067 | 0.042 | 62.066 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 165 | TRP | 0 | -0.003 | -0.016 | 58.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 166 | GLU | -1 | -0.737 | -0.848 | 60.254 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 167 | SER | 0 | 0.009 | 0.002 | 61.425 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 168 | TRP | 0 | -0.035 | -0.013 | 52.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 169 | ARG | 1 | 0.795 | 0.864 | 56.035 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 170 | SER | 0 | 0.000 | 0.008 | 57.625 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 171 | GLU | -1 | -0.917 | -0.965 | 59.170 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 172 | VAL | 0 | 0.001 | 0.007 | 53.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 173 | GLY | 0 | 0.021 | 0.003 | 53.391 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 174 | LYS | 1 | 0.879 | 0.952 | 53.533 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 175 | GLN | 0 | -0.032 | -0.007 | 53.168 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 176 | LEU | 0 | 0.004 | 0.003 | 48.236 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 177 | ARG | 1 | 0.793 | 0.914 | 49.314 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 178 | PRO | 0 | -0.003 | -0.004 | 49.785 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 179 | LEU | 0 | 0.017 | -0.001 | 46.261 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 180 | TYR | 0 | 0.083 | 0.057 | 44.059 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 181 | GLU | -1 | -0.822 | -0.889 | 44.897 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 182 | GLU | -1 | -0.933 | -0.976 | 42.846 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 183 | TYR | 0 | -0.075 | -0.072 | 39.262 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 184 | VAL | 0 | 0.004 | 0.008 | 40.073 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 185 | VAL | 0 | -0.056 | -0.008 | 40.010 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 186 | LEU | 0 | 0.029 | 0.017 | 37.353 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 187 | LYS | 1 | 0.840 | 0.932 | 34.570 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 188 | ASN | 0 | 0.032 | 0.006 | 34.994 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 189 | GLU | -1 | -0.942 | -0.950 | 34.889 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 190 | MET | 0 | -0.043 | -0.005 | 29.214 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 191 | ALA | 0 | 0.055 | 0.021 | 30.408 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 192 | ARG | 1 | 0.854 | 0.909 | 30.586 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 193 | ALA | 0 | -0.058 | -0.014 | 28.849 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 194 | ASN | 0 | -0.081 | -0.040 | 25.700 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 195 | HIS | 0 | -0.034 | -0.012 | 23.889 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 196 | TYR | 0 | 0.006 | 0.037 | 26.532 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 197 | GLU | -1 | -0.892 | -0.947 | 31.116 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 198 | ASP | -1 | -0.744 | -0.850 | 34.713 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 199 | TYR | 0 | 0.031 | -0.013 | 33.710 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 200 | GLY | 0 | 0.015 | 0.012 | 35.530 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 201 | ASP | -1 | -0.762 | -0.851 | 32.963 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 202 | TYR | 0 | -0.022 | -0.016 | 28.238 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 203 | TRP | 0 | -0.010 | -0.002 | 31.683 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 204 | ARG | 1 | 0.816 | 0.905 | 33.717 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 205 | GLY | 0 | 0.027 | 0.002 | 30.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 206 | ASP | -1 | -0.915 | -0.945 | 29.349 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 207 | TYR | 0 | -0.017 | -0.020 | 30.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 208 | GLU | -1 | -0.807 | -0.863 | 27.475 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 209 | VAL | 0 | -0.043 | -0.007 | 26.521 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 210 | ASN | 0 | -0.034 | -0.035 | 24.243 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 211 | GLY | 0 | 0.001 | 0.012 | 22.935 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 212 | VAL | 0 | -0.031 | -0.025 | 23.151 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 213 | ASP | -1 | -0.886 | -0.952 | 25.599 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 214 | GLY | 0 | -0.054 | -0.018 | 28.281 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 215 | TYR | 0 | -0.021 | -0.042 | 28.771 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 216 | ASP | -1 | -0.796 | -0.876 | 27.276 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 217 | TYR | 0 | -0.049 | -0.076 | 29.942 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 218 | SER | 0 | 0.031 | 0.027 | 30.772 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 219 | ARG | 1 | 0.844 | 0.887 | 28.527 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 220 | GLY | 0 | 0.013 | 0.001 | 33.666 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 221 | GLN | 0 | -0.028 | -0.006 | 36.030 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 222 | LEU | 0 | 0.031 | 0.029 | 36.507 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 223 | ILE | 0 | -0.060 | -0.034 | 38.360 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 224 | GLU | -1 | -0.811 | -0.852 | 41.005 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 225 | ASP | -1 | -0.704 | -0.804 | 39.228 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 226 | VAL | 0 | -0.059 | -0.031 | 41.354 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 227 | GLU | -1 | -0.918 | -0.971 | 43.824 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 228 | HIS | 0 | -0.027 | 0.000 | 45.552 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 229 | THR | 0 | -0.043 | -0.028 | 44.466 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 230 | PHE | 0 | 0.016 | 0.005 | 47.437 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 231 | GLU | -1 | -0.860 | -0.933 | 49.576 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 232 | GLU | -1 | -0.918 | -0.957 | 48.898 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 233 | ILE | 0 | 0.027 | 0.023 | 48.948 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 234 | LYS | 1 | 0.880 | 0.958 | 53.086 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 235 | PRO | 0 | 0.006 | 0.015 | 55.863 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 236 | LEU | 0 | 0.018 | 0.006 | 54.891 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 237 | TYR | 0 | -0.012 | -0.033 | 55.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 238 | GLU | -1 | -0.906 | -0.960 | 57.752 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 239 | HIS | 0 | 0.002 | 0.006 | 60.834 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 240 | LEU | 0 | -0.003 | 0.010 | 58.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 241 | HIS | 0 | -0.023 | -0.017 | 60.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 242 | ALA | 0 | -0.001 | 0.007 | 62.268 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 243 | TYR | 0 | 0.017 | -0.001 | 64.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 244 | VAL | 0 | 0.000 | -0.003 | 62.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 245 | ARG | 1 | 0.803 | 0.880 | 65.431 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 246 | ALA | 0 | 0.015 | 0.015 | 67.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 247 | LYS | 1 | 0.919 | 0.973 | 68.288 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 248 | LEU | 0 | 0.027 | 0.008 | 65.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 249 | MET | 0 | -0.049 | -0.006 | 69.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 250 | ASN | 0 | 0.002 | 0.013 | 72.550 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 251 | ALA | 0 | 0.002 | 0.018 | 71.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 252 | TYR | 0 | -0.091 | -0.099 | 69.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 253 | PRO | 0 | 0.060 | 0.047 | 73.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 254 | SER | 0 | -0.007 | 0.035 | 76.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 255 | TYR | 0 | -0.018 | 0.033 | 71.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 256 | ILE | 0 | 0.030 | 0.034 | 68.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 257 | SER | 0 | 0.021 | 0.018 | 70.632 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 258 | PRO | 0 | 0.042 | -0.009 | 70.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 259 | ILE | 0 | -0.030 | -0.013 | 69.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 260 | GLY | 0 | 0.017 | 0.028 | 67.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 261 | CYS | 0 | -0.037 | 0.011 | 62.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 262 | LEU | 0 | 0.023 | 0.019 | 61.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 263 | PRO | 0 | 0.013 | -0.001 | 63.017 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 264 | ALA | 0 | 0.020 | 0.014 | 59.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 265 | HIS | 0 | -0.008 | 0.006 | 60.573 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 266 | LEU | 0 | -0.049 | -0.012 | 62.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 267 | LEU | 0 | 0.008 | 0.002 | 58.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 268 | GLY | 0 | 0.009 | 0.009 | 59.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 269 | ASP | -1 | -0.636 | -0.790 | 54.924 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 270 | MET | 0 | 0.039 | 0.080 | 55.334 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 271 | TRP | 0 | -0.075 | -0.024 | 52.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 272 | GLY | 0 | 0.060 | 0.024 | 55.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 273 | ARG | 1 | 0.819 | 0.941 | 45.766 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 274 | PHE | 0 | -0.036 | -0.008 | 48.730 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 275 | TRP | 0 | -0.007 | 0.014 | 54.447 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 276 | THR | 0 | 0.029 | -0.003 | 55.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 277 | ASN | 0 | -0.039 | -0.033 | 58.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 278 | LEU | 0 | 0.004 | 0.007 | 61.006 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 279 | TYR | 0 | 0.007 | 0.012 | 61.848 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 280 | SER | 0 | -0.066 | -0.058 | 63.732 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 281 | LEU | 0 | 0.053 | 0.020 | 66.908 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 282 | THR | 0 | -0.044 | -0.044 | 64.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 283 | VAL | 0 | -0.019 | 0.024 | 66.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 284 | PRO | 0 | -0.033 | -0.010 | 65.845 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 285 | PHE | 0 | -0.021 | -0.010 | 68.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 286 | GLY | 0 | 0.026 | 0.011 | 70.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 287 | GLN | 0 | 0.012 | 0.036 | 71.628 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 288 | LYS | 1 | 0.766 | 0.895 | 69.554 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 289 | PRO | 0 | -0.010 | 0.002 | 68.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 290 | ASN | 0 | -0.020 | -0.021 | 63.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 291 | ILE | 0 | 0.020 | 0.010 | 61.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 292 | ASP | -1 | -0.833 | -0.869 | 61.871 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 293 | VAL | 0 | -0.027 | -0.028 | 59.076 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 294 | THR | 0 | 0.064 | 0.039 | 60.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 295 | ASP | -1 | -0.878 | -0.933 | 61.949 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 296 | ALA | 0 | 0.015 | 0.015 | 63.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 297 | MET | 0 | -0.070 | -0.030 | 56.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 298 | VAL | 0 | -0.030 | -0.018 | 61.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 299 | ASP | -1 | -0.920 | -0.949 | 64.000 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 300 | GLN | 0 | -0.137 | -0.072 | 62.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 301 | ALA | 0 | -0.062 | -0.029 | 62.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 302 | TRP | 0 | -0.017 | -0.010 | 55.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 303 | ASP | -1 | -0.880 | -0.945 | 56.053 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 304 | ALA | 0 | 0.039 | 0.004 | 51.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 305 | GLN | 0 | 0.017 | 0.004 | 50.644 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 306 | ARG | 1 | 0.865 | 0.936 | 51.575 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 307 | ILE | 0 | 0.010 | 0.019 | 50.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 308 | PHE | 0 | 0.036 | -0.005 | 45.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 309 | LYS | 1 | 0.867 | 0.946 | 47.982 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 310 | GLU | -1 | -0.859 | -0.920 | 49.746 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 311 | ALA | 0 | 0.014 | 0.016 | 46.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 312 | GLU | -1 | -0.758 | -0.892 | 44.347 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 313 | LYS | 1 | 0.950 | 0.970 | 45.923 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 314 | PHE | 0 | -0.018 | 0.000 | 45.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 315 | PHE | 0 | 0.041 | 0.017 | 42.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 316 | VAL | 0 | -0.010 | -0.001 | 43.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 317 | SER | 0 | -0.107 | -0.052 | 44.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 318 | VAL | 0 | -0.007 | -0.003 | 42.707 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 319 | GLY | 0 | -0.020 | -0.019 | 42.181 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 320 | LEU | 0 | -0.048 | -0.003 | 37.843 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 321 | PRO | 0 | -0.032 | -0.006 | 36.332 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 322 | ASN | 0 | -0.238 | -0.191 | 39.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 323 | MET | 0 | -0.020 | 0.005 | 39.856 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 324 | THR | 0 | -0.046 | -0.066 | 35.916 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 325 | GLN | 0 | -0.036 | -0.032 | 39.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 326 | GLY | 0 | 0.034 | 0.019 | 38.720 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 327 | PHE | 0 | 0.027 | 0.030 | 39.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 328 | TRP | 0 | -0.032 | -0.021 | 40.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 329 | GLU | -1 | -0.868 | -0.905 | 42.339 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 330 | ASN | 0 | -0.021 | 0.004 | 39.005 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 331 | SER | 0 | -0.035 | -0.009 | 42.313 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 332 | MET | 0 | -0.072 | -0.008 | 43.431 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 333 | LEU | 0 | 0.010 | 0.016 | 45.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 334 | THR | 0 | 0.029 | 0.017 | 48.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 335 | ASP | -1 | -0.818 | -0.908 | 50.910 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 336 | PRO | 0 | -0.046 | -0.014 | 50.369 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 337 | GLY | 0 | -0.035 | -0.009 | 52.781 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 338 | ASN | 0 | -0.064 | -0.053 | 55.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 339 | VAL | 0 | -0.021 | -0.008 | 55.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 340 | GLN | 0 | -0.025 | -0.014 | 48.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 341 | LYS | 1 | 0.969 | 0.988 | 51.614 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 342 | ALA | 0 | 0.066 | 0.029 | 47.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 343 | VAL | 0 | -0.019 | -0.006 | 45.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 361 | CYS | 0 | -0.059 | -0.020 | 46.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 345 | HIS | 0 | 0.004 | 0.012 | 44.044 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 346 | PRO | 0 | 0.000 | -0.011 | 45.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 347 | THR | 0 | 0.025 | 0.032 | 40.543 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 348 | ALA | 0 | 0.009 | 0.011 | 38.585 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 349 | TRP | 0 | -0.091 | -0.053 | 36.449 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 350 | ASP | -1 | -0.796 | -0.886 | 30.595 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 351 | LEU | 0 | -0.038 | -0.024 | 31.754 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 352 | GLY | 0 | 0.080 | 0.043 | 28.475 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 353 | LYS | 1 | 0.783 | 0.860 | 25.713 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 354 | GLY | 0 | 0.037 | 0.030 | 28.856 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 355 | ASP | -1 | -0.748 | -0.781 | 31.387 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 356 | PHE | 0 | 0.032 | 0.014 | 31.236 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 357 | ARG | 1 | 0.793 | 0.860 | 36.155 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 358 | ILE | 0 | 0.071 | 0.043 | 39.358 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 359 | LEU | 0 | -0.030 | -0.005 | 42.182 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 360 | MET | 0 | 0.022 | 0.005 | 44.204 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 362 | THR | 0 | -0.030 | -0.028 | 50.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 363 | LYS | 1 | 0.870 | 0.932 | 52.573 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 364 | VAL | 0 | 0.014 | 0.007 | 55.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 365 | THR | 0 | 0.045 | 0.015 | 56.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 366 | MET | 0 | 0.065 | 0.035 | 56.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 367 | ASP | -1 | -0.860 | -0.929 | 54.728 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 368 | ASP | -1 | -0.762 | -0.872 | 52.241 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 369 | PHE | 0 | -0.036 | -0.021 | 51.413 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 370 | LEU | 0 | -0.023 | 0.002 | 51.069 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 371 | THR | 0 | 0.042 | 0.029 | 47.585 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 372 | ALA | 0 | 0.022 | 0.025 | 46.780 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 373 | HIS | 1 | -0.012 | 0.012 | 45.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 374 | HIS | 0 | -0.056 | -0.016 | 43.576 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 375 | GLU | -1 | -0.763 | -0.906 | 42.371 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 376 | MET | 0 | -0.062 | -0.025 | 41.101 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 377 | GLY | 0 | 0.008 | -0.001 | 40.610 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 378 | HIS | -1 | -0.021 | -0.027 | 37.808 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 379 | ILE | 0 | 0.032 | 0.017 | 36.327 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 380 | GLN | 0 | 0.017 | 0.006 | 35.864 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 381 | TYR | 0 | -0.016 | -0.010 | 31.807 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 382 | ASP | -1 | -0.748 | -0.829 | 31.973 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 383 | MET | 0 | -0.058 | -0.009 | 31.093 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 384 | ALA | 0 | -0.048 | -0.011 | 31.349 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 385 | TYR | 0 | -0.027 | 0.007 | 27.416 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 386 | ALA | 0 | 0.047 | 0.030 | 26.686 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 387 | ALA | 0 | -0.078 | -0.045 | 24.876 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 388 | GLN | 0 | -0.019 | -0.001 | 22.624 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 389 | PRO | 0 | -0.013 | -0.012 | 18.157 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 390 | PHE | 0 | 0.076 | 0.037 | 20.280 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 391 | LEU | 0 | -0.004 | -0.010 | 17.995 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 392 | LEU | 0 | -0.066 | -0.032 | 19.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 393 | ARG | 1 | 0.794 | 0.915 | 23.150 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 394 | ASN | 0 | 0.024 | 0.000 | 26.173 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 395 | GLY | 0 | 0.032 | 0.026 | 28.915 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 396 | ALA | 0 | -0.019 | -0.002 | 29.314 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 397 | ASN | 0 | 0.063 | 0.022 | 29.658 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 398 | GLU | -1 | -0.677 | -0.787 | 31.912 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 399 | GLY | 0 | 0.004 | 0.013 | 34.282 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 400 | PHE | 0 | -0.016 | -0.027 | 33.959 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 401 | HIS | 1 | 0.009 | 0.008 | 33.194 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 402 | GLU | -1 | -0.874 | -0.943 | 36.483 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 403 | ALA | 0 | -0.038 | -0.020 | 39.422 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 404 | VAL | 0 | -0.037 | -0.027 | 36.942 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 405 | GLY | 0 | 0.077 | 0.043 | 40.171 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 406 | GLU | -1 | -0.827 | -0.875 | 42.257 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 407 | ILE | 0 | -0.035 | -0.024 | 42.021 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 408 | MET | 0 | -0.029 | 0.019 | 41.410 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 409 | SER | 0 | 0.060 | 0.058 | 46.198 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 410 | LEU | 0 | -0.061 | -0.007 | 47.986 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 411 | SER | 0 | 0.037 | 0.042 | 48.368 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 412 | ALA | 0 | -0.017 | 0.001 | 50.327 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 413 | ALA | 0 | 0.015 | -0.002 | 52.084 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 414 | THR | 0 | -0.051 | -0.003 | 53.960 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 415 | PRO | 0 | 0.014 | -0.011 | 56.589 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 416 | LYS | 1 | 0.942 | 0.976 | 55.233 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 417 | HIS | 0 | 0.839 | 0.923 | 51.857 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 418 | LEU | 0 | 0.038 | 0.014 | 56.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 419 | LYS | 1 | 0.919 | 0.976 | 58.437 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 420 | SER | 0 | -0.120 | -0.049 | 56.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 421 | ILE | 0 | -0.013 | -0.007 | 54.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 422 | GLY | 0 | -0.043 | -0.010 | 58.032 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 423 | LEU | 0 | 0.015 | 0.013 | 57.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 424 | LEU | 0 | -0.021 | 0.011 | 61.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 425 | SER | 0 | 0.024 | -0.009 | 63.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 426 | PRO | 0 | -0.014 | -0.027 | 65.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 427 | ASP | -1 | -0.941 | -0.955 | 67.190 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 428 | PHE | 0 | -0.035 | -0.012 | 64.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 429 | GLN | 0 | -0.031 | -0.026 | 66.011 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 430 | GLU | -1 | -0.912 | -0.961 | 62.621 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 431 | ASP | -1 | -0.762 | -0.879 | 66.043 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 432 | ASN | 0 | 0.040 | 0.003 | 66.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 433 | GLU | -1 | -0.854 | -0.912 | 66.743 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 434 | THR | 0 | -0.035 | -0.042 | 65.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 435 | GLU | -1 | -0.938 | -0.969 | 61.839 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 436 | ILE | 0 | 0.019 | 0.009 | 62.206 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 437 | ASN | 0 | 0.032 | 0.001 | 63.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 438 | PHE | 0 | -0.007 | 0.006 | 55.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 439 | LEU | 0 | 0.036 | 0.003 | 58.127 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 440 | LEU | 0 | -0.005 | 0.009 | 58.649 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 441 | LYS | 1 | 0.962 | 0.982 | 58.080 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 442 | GLN | 0 | 0.016 | 0.060 | 52.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 443 | ALA | 0 | 0.004 | 0.006 | 54.897 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 444 | LEU | 0 | -0.044 | -0.014 | 55.997 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 445 | THR | 0 | 0.006 | 0.005 | 51.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 446 | ILE | 0 | -0.004 | -0.003 | 49.728 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 447 | VAL | 0 | 0.018 | 0.004 | 51.214 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 448 | GLY | 0 | 0.019 | 0.014 | 53.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 449 | THR | 0 | 0.011 | 0.014 | 48.921 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 450 | LEU | 0 | -0.012 | 0.010 | 47.646 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 451 | PRO | 0 | 0.023 | 0.006 | 49.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 452 | PHE | 0 | -0.001 | 0.017 | 49.388 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 453 | THR | 0 | -0.002 | -0.021 | 45.275 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 454 | TYR | 0 | -0.003 | 0.003 | 46.117 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 455 | MET | 0 | -0.039 | 0.036 | 47.255 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 456 | LEU | 0 | 0.004 | -0.004 | 45.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 457 | GLU | -1 | -0.691 | -0.845 | 40.670 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 458 | LYS | 1 | 0.928 | 0.983 | 43.948 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 459 | TRP | 0 | 0.006 | -0.007 | 45.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 460 | ARG | 1 | 0.766 | 0.866 | 41.571 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 461 | TRP | 0 | -0.005 | -0.004 | 39.173 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 462 | MET | 0 | 0.000 | 0.005 | 42.361 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 463 | VAL | 0 | -0.010 | 0.001 | 44.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 464 | PHE | 0 | -0.057 | -0.030 | 39.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 465 | LYS | 1 | 0.908 | 0.966 | 39.922 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 466 | GLY | 0 | -0.070 | -0.029 | 41.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 467 | GLU | -1 | -0.950 | -0.976 | 44.559 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 468 | ILE | 0 | -0.052 | -0.018 | 47.239 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 469 | PRO | 0 | 0.019 | 0.012 | 48.745 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 470 | LYS | 1 | 0.919 | 0.933 | 48.458 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 471 | ASP | -1 | -0.972 | -0.977 | 51.212 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 472 | GLN | 0 | 0.008 | -0.017 | 53.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 473 | TRP | 0 | 0.022 | 0.027 | 46.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 474 | MET | 0 | -0.033 | -0.015 | 52.583 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 475 | LYS | 1 | 0.940 | 0.978 | 55.407 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 476 | LYS | 1 | 0.962 | 0.971 | 52.139 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 477 | TRP | 0 | 0.005 | 0.004 | 49.334 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 478 | TRP | 0 | 0.025 | -0.007 | 53.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 479 | GLU | -1 | -0.908 | -0.945 | 56.710 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 480 | MET | 0 | -0.008 | -0.002 | 49.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 481 | LYS | 1 | 0.840 | 0.912 | 53.438 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 482 | ARG | 1 | 0.849 | 0.924 | 56.390 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 483 | GLU | -1 | -0.982 | -0.995 | 56.516 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 484 | ILE | 0 | -0.021 | -0.008 | 51.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 485 | VAL | 0 | -0.003 | -0.008 | 53.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 486 | GLY | 0 | 0.099 | 0.086 | 56.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 487 | VAL | 0 | -0.040 | -0.021 | 58.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 488 | VAL | 0 | -0.025 | -0.020 | 60.109 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 489 | GLU | -1 | -0.741 | -0.859 | 60.635 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 490 | PRO | 0 | 0.000 | -0.034 | 62.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 491 | VAL | 0 | 0.000 | -0.001 | 64.220 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 492 | PRO | 0 | -0.032 | 0.003 | 63.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 493 | HIS | 1 | 0.762 | 0.824 | 58.659 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 494 | ASP | -1 | -0.730 | -0.792 | 60.269 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 495 | GLU | -1 | -0.783 | -0.905 | 55.141 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 496 | THR | 0 | -0.059 | -0.079 | 55.858 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 497 | TYR | 0 | -0.066 | -0.036 | 56.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 498 | CYS | 0 | -0.007 | -0.013 | 50.109 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 499 | ASP | -1 | -0.666 | -0.813 | 51.913 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 500 | PRO | 0 | -0.021 | 0.014 | 48.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 501 | ALA | 0 | 0.019 | -0.008 | 48.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 502 | SER | 0 | -0.013 | -0.020 | 49.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 503 | LEU | 0 | -0.001 | 0.030 | 47.720 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 504 | PHE | 0 | 0.050 | 0.019 | 42.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 505 | HIS | 0 | 0.036 | 0.007 | 42.483 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 506 | VAL | 0 | -0.028 | -0.003 | 42.775 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 507 | SER | 0 | 0.006 | 0.003 | 43.797 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 508 | ASN | 0 | -0.044 | -0.023 | 42.021 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 509 | ASP | -1 | -0.810 | -0.863 | 36.816 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 510 | TYR | 0 | 0.025 | 0.020 | 36.996 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 511 | SER | 0 | 0.031 | 0.067 | 36.251 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 512 | PHE | 0 | -0.005 | -0.038 | 38.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 513 | ILE | 0 | 0.013 | 0.002 | 38.803 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 514 | ARG | 1 | 0.846 | 0.929 | 35.557 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 515 | TYR | 0 | -0.003 | 0.007 | 39.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 516 | TYR | 0 | -0.040 | -0.016 | 43.065 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 517 | THR | 0 | 0.026 | -0.012 | 38.439 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 518 | ARG | 1 | 0.916 | 0.980 | 40.280 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 519 | THR | 0 | -0.039 | -0.025 | 41.337 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 520 | LEU | 0 | 0.017 | -0.003 | 43.425 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 521 | TYR | 0 | 0.024 | 0.009 | 36.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 522 | GLN | 0 | 0.055 | 0.036 | 41.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 523 | PHE | 0 | 0.016 | -0.004 | 43.699 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 524 | GLN | 0 | -0.010 | 0.005 | 41.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 525 | PHE | 0 | 0.012 | 0.004 | 37.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 526 | GLN | 0 | 0.068 | 0.047 | 42.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 527 | GLU | -1 | -0.779 | -0.875 | 46.198 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 528 | ALA | 0 | -0.021 | 0.000 | 42.935 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 529 | LEU | 0 | -0.021 | -0.014 | 41.267 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 542 | CYS | 0 | -0.078 | -0.032 | 45.071 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 531 | GLN | 0 | -0.020 | 0.003 | 47.283 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 532 | ALA | 0 | -0.021 | -0.006 | 44.631 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 533 | ALA | 0 | -0.028 | -0.008 | 46.709 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 534 | LYS | 1 | 0.874 | 0.934 | 49.260 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 535 | HIS | 0 | 0.031 | 0.036 | 51.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 536 | GLU | -1 | -0.919 | -0.950 | 53.884 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 537 | GLY | 0 | -0.052 | -0.029 | 57.216 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 538 | PRO | 0 | -0.019 | -0.016 | 56.826 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 539 | LEU | 0 | 0.078 | 0.053 | 50.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 540 | HIS | 0 | 0.010 | 0.005 | 53.443 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 541 | LYS | 1 | 0.904 | 0.949 | 55.164 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 543 | ASP | -1 | -0.766 | -0.903 | 51.633 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 544 | ILE | 0 | -0.003 | -0.003 | 45.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 545 | SER | 0 | -0.001 | -0.016 | 48.335 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 546 | ASN | 0 | -0.091 | -0.055 | 49.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 547 | SER | 0 | -0.010 | 0.014 | 47.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 548 | THR | 0 | 0.044 | 0.048 | 43.714 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 549 | GLU | -1 | -0.859 | -0.889 | 42.735 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 550 | ALA | 0 | 0.033 | 0.012 | 42.527 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 551 | GLY | 0 | 0.054 | 0.026 | 41.577 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 552 | GLN | 0 | -0.065 | -0.040 | 35.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 553 | LYS | 1 | 0.856 | 0.937 | 37.390 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 554 | LEU | 0 | 0.045 | 0.024 | 37.456 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 555 | PHE | 0 | 0.037 | 0.019 | 32.451 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 556 | ASN | 0 | 0.005 | 0.038 | 33.046 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 557 | MET | 0 | 0.006 | 0.033 | 31.866 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 558 | LEU | 0 | 0.031 | 0.015 | 31.602 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 559 | ARG | 1 | 0.941 | 0.951 | 25.590 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 560 | LEU | 0 | -0.103 | -0.030 | 27.176 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 561 | GLY | 0 | 0.054 | 0.043 | 26.243 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 562 | LYS | 1 | 0.941 | 0.967 | 24.205 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 563 | SER | 0 | -0.119 | -0.067 | 22.368 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 564 | GLU | -1 | -0.930 | -0.966 | 22.936 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 565 | PRO | 0 | 0.027 | 0.020 | 25.117 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 566 | TRP | 0 | -0.030 | -0.025 | 27.635 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 567 | THR | 0 | -0.027 | -0.022 | 30.958 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 568 | LEU | 0 | 0.000 | 0.002 | 27.670 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 569 | ALA | 0 | 0.026 | 0.006 | 30.379 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 570 | LEU | 0 | -0.001 | -0.006 | 32.014 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 571 | GLU | -1 | -0.834 | -0.885 | 34.263 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 572 | ASN | 0 | -0.039 | -0.022 | 31.319 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 573 | VAL | 0 | -0.039 | -0.012 | 35.282 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 574 | VAL | 0 | -0.038 | -0.043 | 38.373 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 575 | GLY | 0 | -0.042 | -0.001 | 38.940 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 576 | ALA | 0 | -0.057 | -0.030 | 39.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 577 | LYS | 1 | 0.868 | 0.932 | 33.797 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 578 | ASN | 0 | 0.017 | 0.021 | 35.981 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 579 | MET | 0 | -0.024 | 0.012 | 38.513 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 580 | ASN | 0 | 0.000 | -0.005 | 40.764 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 581 | VAL | 0 | 0.053 | 0.044 | 44.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 582 | ARG | 1 | 0.826 | 0.897 | 47.235 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 583 | PRO | 0 | -0.023 | -0.011 | 45.846 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 584 | LEU | 0 | 0.044 | 0.034 | 48.617 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 585 | LEU | 0 | -0.015 | -0.016 | 50.168 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 586 | ASN | 0 | -0.014 | 0.002 | 51.668 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 587 | TYR | 0 | -0.018 | 0.006 | 51.792 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 588 | PHE | 0 | 0.012 | -0.005 | 52.277 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 589 | GLU | -1 | -0.866 | -0.904 | 56.438 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 590 | PRO | 0 | -0.007 | -0.024 | 58.579 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 591 | LEU | 0 | 0.022 | 0.020 | 59.274 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 592 | PHE | 0 | 0.028 | 0.015 | 59.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 593 | THR | 0 | -0.036 | -0.031 | 61.315 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 594 | TRP | 0 | 0.047 | 0.029 | 64.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 595 | LEU | 0 | -0.019 | -0.016 | 61.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 596 | LYS | 1 | 0.906 | 0.966 | 62.575 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 597 | ASP | -1 | -0.945 | -0.962 | 66.546 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 598 | GLN | 0 | -0.015 | -0.013 | 68.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 599 | ASN | 0 | -0.016 | 0.009 | 65.659 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 600 | LYS | 1 | 0.878 | 0.955 | 69.863 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 601 | ASN | 0 | -0.078 | -0.042 | 72.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 602 | SER | 0 | 0.015 | 0.003 | 70.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 603 | PHE | 0 | -0.014 | 0.007 | 67.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 604 | VAL | 0 | -0.006 | -0.007 | 64.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 605 | GLY | 0 | 0.084 | 0.058 | 63.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 606 | TRP | 0 | -0.103 | -0.051 | 58.636 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 607 | SER | 0 | -0.043 | -0.016 | 64.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 608 | THR | 0 | 0.024 | -0.017 | 61.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 609 | ASP | -1 | -0.879 | -0.918 | 64.350 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 610 | TRP | 0 | 0.002 | 0.011 | 67.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 611 | SER | 0 | 0.035 | 0.046 | 66.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 612 | PRO | 0 | 0.026 | 0.037 | 66.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 613 | TYR | 0 | -0.039 | -0.001 | 64.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 614 | ALA | 0 | -0.048 | -0.014 | 70.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 701 | NAG | 0 | 0.246 | 0.210 | 46.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 702 | NAG | 0 | 0.359 | 0.275 | 11.649 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 703 | NAG | 0 | 0.251 | 0.194 | 41.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 333 | THR | 0 | -0.015 | -0.075 | 55.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 334 | ASN | 0 | 0.027 | 0.075 | 51.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 335 | LEU | 0 | 0.055 | 0.024 | 51.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 361 | CYS | 0 | -0.049 | 0.000 | 45.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 337 | PRO | 0 | 0.055 | 0.048 | 44.033 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 338 | PHE | 0 | 0.024 | -0.013 | 41.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 339 | GLY | 0 | 0.022 | 0.010 | 43.007 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 340 | GLU | -1 | -0.920 | -0.973 | 42.401 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 341 | VAL | 0 | -0.049 | -0.012 | 37.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 342 | PHE | 0 | 0.014 | 0.011 | 38.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 343 | ASN | 0 | -0.294 | -0.222 | 40.721 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 344 | ALA | 0 | -0.016 | 0.015 | 38.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 345 | THR | 0 | 0.034 | 0.014 | 39.979 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 346 | ARG | 1 | 0.902 | 0.961 | 33.944 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 347 | PHE | 0 | 0.011 | 0.005 | 32.825 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 348 | ALA | 0 | -0.002 | 0.004 | 29.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 349 | SER | 0 | 0.029 | 0.006 | 25.621 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 350 | VAL | 0 | -0.039 | -0.010 | 23.185 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 351 | TYR | 0 | 0.025 | 0.016 | 20.999 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 352 | ALA | 0 | -0.038 | 0.004 | 22.874 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 353 | TRP | 0 | -0.032 | 0.014 | 24.371 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 354 | ASN | 0 | -0.023 | -0.006 | 28.061 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 355 | ARG | 1 | 0.823 | 0.901 | 31.142 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 356 | LYS | 1 | 0.932 | 0.972 | 33.335 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 357 | ARG | 1 | 0.898 | 0.933 | 37.131 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 358 | ILE | 0 | -0.035 | -0.019 | 38.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 359 | SER | 0 | -0.035 | -0.040 | 42.099 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 360 | ASN | 0 | 0.011 | -0.001 | 44.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 362 | VAL | 0 | -0.012 | 0.001 | 49.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 363 | ALA | 0 | 0.026 | 0.003 | 46.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 364 | ASP | -1 | -0.845 | -0.929 | 48.312 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 365 | TYR | 0 | 0.036 | -0.004 | 43.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 366 | SER | 0 | 0.005 | -0.012 | 46.563 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 367 | VAL | 0 | -0.006 | 0.018 | 48.474 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 368 | LEU | 0 | -0.024 | -0.015 | 42.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 369 | TYR | 0 | -0.010 | -0.019 | 43.157 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 370 | ASN | 0 | -0.050 | -0.020 | 45.524 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 371 | SER | 0 | 0.000 | 0.016 | 47.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 372 | ALA | 0 | -0.049 | -0.021 | 45.825 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 373 | SER | 0 | 0.061 | 0.029 | 44.159 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 374 | PHE | 0 | -0.085 | -0.039 | 39.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 375 | SER | 0 | 0.023 | 0.016 | 36.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 376 | THR | 0 | -0.057 | -0.028 | 34.227 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 377 | PHE | 0 | 0.045 | 0.000 | 37.330 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 378 | LYS | 1 | 0.955 | 0.993 | 34.584 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 432 | CYS | 0 | -0.121 | -0.030 | 36.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 380 | TYR | 0 | 0.033 | 0.008 | 32.990 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 381 | GLY | 0 | 0.063 | 0.041 | 36.971 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 382 | VAL | 0 | -0.021 | -0.013 | 39.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 383 | SER | 0 | -0.034 | -0.029 | 41.526 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 384 | PRO | 0 | 0.010 | 0.014 | 42.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 385 | THR | 0 | -0.064 | -0.043 | 44.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 386 | LYS | 1 | 0.975 | 0.968 | 48.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 387 | LEU | 0 | 0.132 | 0.090 | 45.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 388 | ASN | 0 | -0.096 | -0.027 | 47.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 389 | ASP | -1 | -0.886 | -0.948 | 49.252 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 390 | LEU | 0 | -0.018 | -0.006 | 45.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | B | 525 | CYS | 0 | -0.104 | -0.038 | 47.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 392 | PHE | 0 | 0.079 | 0.031 | 42.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 393 | THR | 0 | -0.046 | -0.001 | 42.485 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 394 | ASN | 0 | -0.014 | 0.005 | 39.844 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 395 | VAL | 0 | 0.064 | 0.049 | 39.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 396 | TYR | 0 | -0.070 | -0.024 | 34.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 397 | ALA | 0 | 0.057 | 0.031 | 36.401 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 398 | ASP | -1 | -0.715 | -0.808 | 30.821 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 399 | SER | 0 | 0.005 | 0.007 | 32.444 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 400 | PHE | 0 | -0.016 | -0.012 | 28.393 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 401 | VAL | 0 | 0.044 | 0.027 | 29.283 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 402 | ILE | 0 | -0.021 | -0.002 | 25.633 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 403 | ARG | 1 | 0.987 | 1.008 | 23.430 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 404 | GLY | 0 | 0.065 | 0.038 | 28.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 405 | ASP | -1 | -0.840 | -0.929 | 26.426 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 406 | GLU | -1 | -0.817 | -0.851 | 22.374 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 407 | VAL | 0 | -0.003 | 0.003 | 25.963 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 408 | ARG | 1 | 0.921 | 0.966 | 21.931 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 409 | GLN | 0 | 0.023 | 0.008 | 21.178 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 410 | ILE | 0 | -0.031 | 0.004 | 25.475 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 411 | ALA | 0 | 0.028 | -0.001 | 27.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 412 | PRO | 0 | -0.001 | 0.014 | 27.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 413 | GLY | 0 | 0.027 | 0.022 | 24.903 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 414 | GLN | 0 | -0.058 | -0.016 | 23.964 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 415 | THR | 0 | -0.003 | -0.006 | 18.485 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 416 | GLY | 0 | -0.003 | -0.015 | 18.347 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 417 | LYS | 1 | 0.919 | 0.960 | 12.714 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 418 | ILE | 0 | 0.007 | 0.022 | 17.865 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 419 | ALA | 0 | 0.023 | 0.015 | 21.046 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 420 | ASP | -1 | -0.831 | -0.912 | 15.884 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 421 | TYR | 0 | 0.000 | -0.002 | 11.315 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 422 | ASN | 0 | -0.033 | 0.010 | 17.263 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 423 | TYR | 0 | 0.026 | -0.031 | 20.835 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 424 | LYS | 1 | 0.931 | 0.996 | 21.574 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 425 | LEU | 0 | -0.011 | 0.001 | 23.668 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 426 | PRO | 0 | -0.041 | -0.025 | 25.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 427 | ASP | -1 | -0.858 | -0.946 | 26.271 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 428 | ASP | -1 | -0.971 | -0.980 | 28.655 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 429 | PHE | 0 | -0.070 | -0.025 | 30.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 430 | THR | 0 | 0.025 | 0.014 | 32.582 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 431 | GLY | 0 | 0.011 | -0.023 | 36.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 433 | VAL | 0 | 0.025 | 0.018 | 31.894 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 434 | ILE | 0 | -0.030 | -0.016 | 34.828 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 435 | ALA | 0 | 0.035 | 0.016 | 33.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | B | 436 | TRP | 0 | 0.007 | 0.003 | 35.759 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 437 | ASN | 0 | 0.011 | 0.014 | 35.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 438 | SER | 0 | -0.017 | -0.026 | 35.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | B | 439 | ASN | 0 | 0.058 | 0.051 | 35.940 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 440 | ASN | 0 | 0.007 | -0.006 | 37.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 441 | LEU | 0 | -0.056 | -0.023 | 38.498 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 442 | ASP | -1 | -0.749 | -0.841 | 33.595 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 443 | SER | 0 | 0.004 | -0.007 | 33.921 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 444 | LYS | 1 | 0.876 | 0.942 | 34.680 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 445 | VAL | 0 | 0.064 | 0.037 | 35.680 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 446 | GLY | 0 | 0.029 | 0.020 | 35.243 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 447 | GLY | 0 | 0.025 | 0.027 | 31.950 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | B | 448 | ASN | 0 | -0.108 | -0.081 | 32.399 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | B | 449 | TYR | 0 | 0.020 | 0.044 | 26.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | B | 450 | ASN | 0 | -0.068 | -0.033 | 28.312 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | B | 451 | TYR | 0 | -0.082 | -0.043 | 28.004 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | B | 452 | LEU | 0 | 0.027 | -0.001 | 22.805 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | B | 453 | TYR | 0 | -0.024 | -0.024 | 18.398 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | B | 454 | ARG | 1 | 0.765 | 0.838 | 15.472 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | B | 455 | LEU | 0 | -0.006 | 0.006 | 13.864 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | B | 456 | PHE | 0 | 0.001 | -0.006 | 10.327 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | B | 457 | ARG | 1 | 0.838 | 0.909 | 10.873 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | B | 458 | LYS | 1 | 0.913 | 0.961 | 8.387 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | B | 459 | SER | 0 | -0.011 | -0.005 | 9.471 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | B | 460 | ASN | 0 | 0.037 | 0.021 | 12.159 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | B | 461 | LEU | 0 | -0.073 | -0.016 | 15.438 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | B | 462 | LYS | 1 | 0.952 | 0.965 | 18.717 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | B | 463 | PRO | 0 | 0.033 | -0.005 | 21.524 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | B | 464 | PHE | 0 | -0.040 | -0.017 | 24.773 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | B | 465 | GLU | -1 | -0.841 | -0.879 | 20.073 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | B | 466 | ARG | 1 | 0.878 | 0.941 | 23.152 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | B | 467 | ASP | -1 | -0.739 | -0.785 | 17.141 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | B | 468 | ILE | 0 | 0.024 | 0.002 | 20.669 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | B | 469 | SER | 0 | -0.005 | 0.010 | 17.425 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | B | 470 | THR | 0 | 0.036 | 0.006 | 18.645 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | B | 471 | GLU | -1 | -0.965 | -0.960 | 13.669 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | B | 472 | ILE | 0 | -0.006 | -0.005 | 12.356 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | B | 473 | TYR | 0 | -0.022 | -0.012 | 5.959 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | B | 474 | GLN | 0 | 0.023 | 0.014 | 6.568 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | B | 475 | ALA | 0 | 0.009 | 0.041 | 5.135 | -0.061 | -0.003 | -0.001 | -0.008 | -0.049 | 0.000 |
738 | B | 476 | GLY | 0 | 0.070 | 0.045 | 2.813 | 3.395 | 3.730 | 1.945 | -0.743 | -1.537 | 0.002 |
739 | B | 477 | SER | 0 | -0.038 | -0.026 | 3.806 | 0.289 | 0.656 | 0.006 | 0.005 | -0.377 | 0.001 |
740 | B | 478 | THR | 0 | -0.012 | -0.009 | 5.686 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | B | 479 | PRO | 0 | -0.012 | -0.011 | 9.142 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | B | 488 | CYS | 0 | 0.050 | 0.032 | 7.839 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | B | 481 | ASN | 0 | -0.056 | -0.028 | 12.639 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | B | 482 | GLY | 0 | -0.025 | -0.003 | 15.451 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | B | 483 | VAL | 0 | -0.009 | -0.001 | 15.987 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | B | 484 | GLU | -1 | -0.859 | -0.940 | 14.314 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | B | 485 | GLY | 0 | 0.006 | -0.012 | 13.401 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | B | 486 | PHE | 0 | 0.004 | 0.009 | 8.065 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | B | 487 | ASN | 0 | -0.032 | -0.009 | 5.968 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | B | 489 | TYR | 0 | 0.052 | 0.010 | 8.310 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | B | 490 | PHE | 0 | 0.042 | 0.020 | 12.647 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | B | 491 | PRO | 0 | -0.062 | -0.011 | 13.780 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | B | 492 | LEU | 0 | -0.048 | -0.022 | 15.027 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | B | 493 | GLN | 0 | 0.038 | 0.027 | 18.198 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | B | 494 | SER | 0 | -0.012 | -0.002 | 20.046 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | B | 495 | TYR | 0 | -0.093 | -0.066 | 23.554 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | B | 496 | GLY | 0 | 0.114 | 0.045 | 25.811 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | B | 497 | PHE | 0 | -0.078 | -0.032 | 28.309 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | B | 498 | GLN | 0 | 0.049 | 0.007 | 31.097 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | B | 499 | PRO | 0 | -0.037 | -0.012 | 34.137 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | B | 500 | THR | 0 | 0.050 | 0.025 | 35.690 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | B | 501 | TYR | 0 | -0.001 | 0.028 | 29.625 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | B | 502 | GLY | 0 | 0.038 | 0.044 | 32.557 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | B | 503 | VAL | 0 | 0.004 | -0.014 | 32.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | B | 504 | GLY | 0 | 0.022 | 0.023 | 30.037 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | B | 505 | TYR | 0 | -0.054 | -0.039 | 24.449 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | B | 506 | GLN | 0 | 0.003 | 0.013 | 29.348 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | B | 507 | PRO | 0 | -0.014 | 0.003 | 30.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | B | 508 | TYR | 0 | -0.012 | -0.009 | 31.305 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | B | 509 | ARG | 1 | 0.776 | 0.879 | 31.861 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | B | 510 | VAL | 0 | 0.007 | -0.007 | 30.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | B | 511 | VAL | 0 | -0.019 | -0.027 | 33.343 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | B | 512 | VAL | 0 | 0.002 | 0.003 | 30.670 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | B | 513 | LEU | 0 | -0.038 | -0.018 | 33.995 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | B | 514 | SER | 0 | 0.054 | 0.017 | 33.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | B | 515 | PHE | 0 | -0.013 | -0.010 | 36.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | B | 516 | GLU | -1 | -0.877 | -0.939 | 36.231 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | B | 517 | LEU | 0 | 0.009 | -0.016 | 38.902 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | B | 518 | LEU | 0 | -0.006 | 0.009 | 38.183 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | B | 519 | HIS | 0 | -0.005 | 0.000 | 41.985 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | B | 520 | ALA | 0 | -0.018 | -0.033 | 44.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | B | 521 | PRO | 0 | -0.061 | -0.042 | 45.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | B | 522 | ALA | 0 | 0.064 | 0.054 | 46.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | B | 523 | THR | 0 | -0.013 | -0.020 | 45.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | B | 524 | VAL | 0 | -0.042 | -0.029 | 44.430 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | B | 526 | GLY | 0 | 0.008 | -0.002 | 49.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | B | 527 | PRO | 0 | -0.009 | 0.005 | 50.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | B | 602 | NAG | 0 | 0.254 | 0.215 | 44.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 801 | HOH | 0 | -0.081 | -0.096 | 46.124 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 802 | HOH | 0 | -0.024 | -0.070 | 53.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 803 | HOH | 0 | -0.091 | -0.095 | 75.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 804 | HOH | 0 | -0.053 | -0.084 | 55.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 805 | HOH | 0 | -0.055 | -0.072 | 10.829 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 806 | HOH | 0 | -0.027 | -0.048 | 44.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 807 | HOH | 0 | -0.048 | -0.057 | 76.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 808 | HOH | 0 | -0.098 | -0.098 | 35.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 809 | HOH | 0 | -0.031 | -0.066 | 65.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 810 | HOH | 0 | -0.027 | -0.030 | 14.131 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 811 | HOH | 0 | -0.030 | -0.055 | 59.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 812 | HOH | 0 | -0.006 | -0.035 | 37.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 813 | HOH | 0 | 0.014 | 0.022 | 35.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 814 | HOH | 0 | -0.065 | -0.099 | 64.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 815 | HOH | 0 | -0.057 | -0.081 | 37.585 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 816 | HOH | 0 | 0.013 | -0.017 | 41.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 817 | HOH | 0 | -0.043 | -0.043 | 48.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 818 | HOH | 0 | -0.038 | -0.052 | 49.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 819 | HOH | 0 | 0.016 | 0.036 | 35.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 820 | HOH | 0 | -0.036 | -0.049 | 53.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 821 | HOH | 0 | -0.026 | -0.054 | 74.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 822 | HOH | 0 | -0.027 | -0.046 | 31.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 823 | HOH | 0 | -0.011 | -0.034 | 55.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 824 | HOH | 0 | 0.000 | 0.004 | 46.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 825 | HOH | 0 | -0.032 | -0.053 | 49.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 826 | HOH | 0 | 0.002 | -0.008 | 50.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 827 | HOH | 0 | -0.015 | -0.038 | 69.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 828 | HOH | 0 | 0.026 | 0.042 | 65.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 829 | HOH | 0 | 0.015 | -0.013 | 47.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 830 | HOH | 0 | -0.043 | -0.042 | 27.075 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 831 | HOH | 0 | -0.024 | -0.028 | 33.665 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 832 | HOH | 0 | -0.035 | -0.042 | 41.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 833 | HOH | 0 | 0.024 | 0.008 | 33.153 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 834 | HOH | 0 | -0.069 | -0.054 | 64.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 835 | HOH | 0 | 0.042 | 0.042 | 55.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 836 | HOH | 0 | -0.116 | -0.132 | 70.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 837 | HOH | 0 | -0.038 | -0.043 | 26.743 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 838 | HOH | 0 | -0.021 | -0.028 | 38.856 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 839 | HOH | 0 | -0.027 | -0.035 | 53.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 840 | HOH | 0 | -0.017 | -0.027 | 55.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 841 | HOH | 0 | -0.050 | -0.061 | 37.669 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 842 | HOH | 0 | -0.012 | -0.029 | 51.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 843 | HOH | 0 | -0.037 | -0.030 | 38.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 844 | HOH | 0 | -0.045 | -0.047 | 45.760 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 845 | HOH | 0 | -0.034 | -0.039 | 30.777 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 846 | HOH | 0 | -0.019 | -0.042 | 57.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 847 | HOH | 0 | -0.014 | -0.020 | 51.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 848 | HOH | 0 | -0.008 | -0.036 | 55.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 849 | HOH | 0 | -0.026 | -0.026 | 76.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 850 | HOH | 0 | -0.019 | -0.040 | 36.841 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 851 | HOH | 0 | 0.011 | -0.003 | 35.186 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | A | 852 | HOH | 0 | -0.045 | -0.035 | 41.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | A | 853 | HOH | 0 | -0.054 | -0.047 | 35.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | A | 854 | HOH | 0 | -0.014 | -0.025 | 39.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | A | 855 | HOH | 0 | -0.017 | -0.020 | 68.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | A | 856 | HOH | 0 | -0.001 | 0.014 | 30.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | A | 857 | HOH | 0 | -0.022 | -0.026 | 60.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | A | 858 | HOH | 0 | -0.034 | -0.042 | 17.643 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | A | 859 | HOH | 0 | 0.011 | 0.016 | 18.190 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | A | 860 | HOH | 0 | -0.057 | -0.042 | 63.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | A | 861 | HOH | 0 | -0.063 | -0.052 | 51.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | A | 862 | HOH | 0 | -0.080 | -0.096 | 8.418 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | A | 863 | HOH | 0 | -0.032 | -0.029 | 27.498 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | A | 864 | HOH | 0 | -0.041 | -0.032 | 33.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | A | 865 | HOH | 0 | -0.005 | -0.018 | 40.845 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | A | 866 | HOH | 0 | -0.022 | -0.025 | 35.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | A | 867 | HOH | 0 | -0.039 | -0.032 | 43.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | A | 868 | HOH | 0 | -0.027 | -0.031 | 55.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | A | 869 | HOH | 0 | -0.027 | -0.026 | 73.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | A | 870 | HOH | 0 | -0.018 | -0.027 | 38.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | A | 871 | HOH | 0 | -0.016 | -0.027 | 34.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | A | 872 | HOH | 0 | 0.014 | -0.007 | 55.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | A | 873 | HOH | 0 | 0.006 | 0.007 | 54.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | A | 874 | HOH | 0 | -0.008 | -0.010 | 44.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | A | 875 | HOH | 0 | -0.029 | -0.026 | 28.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | A | 876 | HOH | 0 | 0.047 | 0.032 | 33.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | A | 877 | HOH | 0 | -0.015 | -0.018 | 67.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | A | 878 | HOH | 0 | -0.013 | -0.010 | 29.922 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | A | 879 | HOH | 0 | -0.044 | -0.045 | 29.893 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | A | 880 | HOH | 0 | -0.023 | -0.016 | 17.120 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
869 | A | 881 | HOH | 0 | 0.039 | 0.069 | 72.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
870 | A | 882 | HOH | 0 | -0.046 | -0.036 | 33.325 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | A | 883 | HOH | 0 | -0.009 | -0.013 | 15.055 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
872 | A | 884 | HOH | 0 | -0.044 | -0.034 | 63.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | A | 885 | HOH | 0 | -0.012 | -0.021 | 53.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | A | 886 | HOH | 0 | -0.005 | -0.007 | 47.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | A | 887 | HOH | 0 | -0.033 | -0.023 | 38.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | A | 888 | HOH | 0 | -0.005 | -0.009 | 56.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | A | 889 | HOH | 0 | -0.013 | -0.011 | 63.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | A | 890 | HOH | 0 | 0.026 | 0.021 | 73.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | A | 891 | HOH | 0 | -0.039 | -0.030 | 28.880 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | A | 892 | HOH | 0 | -0.045 | -0.037 | 47.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | A | 893 | HOH | 0 | -0.031 | -0.019 | 61.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | A | 894 | HOH | 0 | 0.035 | 0.024 | 41.985 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | A | 895 | HOH | 0 | -0.006 | -0.013 | 52.758 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | A | 896 | HOH | 0 | 0.035 | 0.005 | 52.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | A | 897 | HOH | 0 | -0.006 | -0.012 | 59.295 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | A | 898 | HOH | 0 | -0.044 | -0.026 | 55.644 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | A | 899 | HOH | 0 | 0.019 | 0.015 | 61.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | A | 900 | HOH | 0 | -0.032 | -0.021 | 40.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | A | 901 | HOH | 0 | -0.018 | -0.013 | 16.517 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | A | 902 | HOH | 0 | 0.020 | 0.017 | 33.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | A | 903 | HOH | 0 | -0.036 | -0.020 | 20.914 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | A | 904 | HOH | 0 | 0.003 | -0.006 | 53.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | A | 905 | HOH | 0 | 0.019 | 0.016 | 26.830 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | A | 906 | HOH | 0 | -0.058 | -0.034 | 56.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | A | 907 | HOH | 0 | -0.040 | -0.026 | 73.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | A | 908 | HOH | 0 | 0.028 | 0.036 | 28.871 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | A | 909 | HOH | 0 | 0.057 | 0.024 | 43.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | A | 910 | HOH | 0 | -0.048 | -0.025 | 26.496 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | A | 911 | HOH | 0 | -0.044 | -0.032 | 41.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | A | 912 | HOH | 0 | -0.020 | -0.013 | 39.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | A | 913 | HOH | 0 | -0.024 | -0.018 | 56.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | A | 914 | HOH | 0 | -0.024 | -0.026 | 53.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | A | 915 | HOH | 0 | 0.028 | 0.016 | 23.321 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | A | 916 | HOH | 0 | 0.002 | 0.000 | 65.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | A | 917 | HOH | 0 | 0.023 | -0.005 | 37.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | A | 918 | HOH | 0 | -0.012 | 0.007 | 34.935 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
907 | A | 919 | HOH | 0 | -0.023 | -0.016 | 56.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
908 | A | 920 | HOH | 0 | 0.001 | -0.001 | 46.622 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
909 | A | 921 | HOH | 0 | 0.009 | 0.002 | 28.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | A | 922 | HOH | 0 | 0.003 | 0.003 | 63.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | A | 923 | HOH | 0 | 0.013 | 0.003 | 33.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | A | 924 | HOH | 0 | -0.030 | -0.038 | 33.182 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | A | 925 | HOH | 0 | -0.010 | -0.003 | 51.478 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | A | 926 | HOH | 0 | 0.024 | 0.019 | 54.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | A | 927 | HOH | 0 | -0.016 | -0.009 | 37.817 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | A | 928 | HOH | 0 | 0.028 | 0.005 | 59.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | A | 929 | HOH | 0 | 0.015 | 0.001 | 51.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | A | 930 | HOH | 0 | -0.041 | -0.021 | 64.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | A | 931 | HOH | 0 | -0.024 | -0.020 | 45.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | A | 932 | HOH | 0 | -0.040 | -0.020 | 55.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | A | 933 | HOH | 0 | 0.036 | 0.020 | 76.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | A | 934 | HOH | 0 | 0.042 | 0.021 | 33.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | A | 935 | HOH | 0 | -0.034 | -0.027 | 56.009 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
924 | A | 936 | HOH | 0 | 0.055 | 0.033 | 56.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
925 | A | 937 | HOH | 0 | 0.018 | 0.016 | 73.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
926 | A | 938 | HOH | 0 | -0.002 | -0.001 | 31.248 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
927 | A | 939 | HOH | 0 | 0.034 | 0.041 | 55.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
928 | A | 940 | HOH | 0 | -0.010 | -0.007 | 23.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
929 | A | 941 | HOH | 0 | -0.053 | -0.025 | 71.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
930 | A | 942 | HOH | 0 | -0.019 | -0.014 | 53.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
931 | A | 943 | HOH | 0 | -0.008 | -0.007 | 37.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
932 | A | 944 | HOH | 0 | -0.052 | -0.042 | 57.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
933 | A | 945 | HOH | 0 | 0.033 | 0.040 | 54.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
934 | A | 946 | HOH | 0 | -0.002 | 0.001 | 50.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
935 | A | 947 | HOH | 0 | -0.007 | -0.014 | 45.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
936 | A | 948 | HOH | 0 | -0.010 | -0.007 | 52.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
937 | A | 949 | HOH | 0 | 0.008 | -0.003 | 57.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
938 | A | 950 | HOH | 0 | -0.040 | -0.062 | 37.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
939 | A | 951 | HOH | 0 | -0.001 | -0.022 | 37.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
940 | A | 952 | HOH | 0 | -0.033 | -0.016 | 74.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
941 | A | 953 | HOH | 0 | -0.020 | -0.011 | 68.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
942 | A | 954 | HOH | 0 | -0.004 | 0.004 | 52.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
943 | A | 955 | HOH | 0 | 0.019 | 0.007 | 56.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
944 | A | 956 | HOH | 0 | 0.027 | 0.016 | 39.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
945 | A | 957 | HOH | 0 | -0.057 | -0.027 | 48.051 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
946 | A | 958 | HOH | 0 | 0.017 | 0.008 | 63.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
947 | A | 959 | HOH | 0 | 0.010 | 0.006 | 36.806 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
948 | A | 960 | HOH | 0 | -0.027 | -0.015 | 31.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
949 | A | 961 | HOH | 0 | -0.010 | -0.007 | 58.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
950 | A | 962 | HOH | 0 | -0.051 | -0.076 | 72.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
951 | A | 963 | HOH | 0 | -0.001 | 0.035 | 35.559 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
952 | A | 964 | HOH | 0 | 0.001 | -0.002 | 51.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
953 | A | 965 | HOH | 0 | 0.038 | 0.018 | 28.693 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
954 | A | 966 | HOH | 0 | -0.018 | -0.027 | 40.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
955 | A | 967 | HOH | 0 | 0.003 | 0.000 | 40.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
956 | A | 968 | HOH | 0 | -0.023 | -0.009 | 77.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
957 | A | 969 | HOH | 0 | -0.024 | -0.062 | 48.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
958 | A | 970 | HOH | 0 | -0.024 | -0.010 | 57.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
959 | A | 971 | HOH | 0 | 0.012 | 0.006 | 81.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
960 | A | 972 | HOH | 0 | -0.028 | -0.016 | 56.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
961 | A | 973 | HOH | 0 | 0.031 | 0.012 | 19.539 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
962 | A | 974 | HOH | 0 | 0.006 | -0.006 | 43.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
963 | A | 975 | HOH | 0 | 0.011 | 0.004 | 44.416 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
964 | A | 976 | HOH | 0 | -0.025 | -0.011 | 58.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
965 | A | 977 | HOH | 0 | 0.019 | 0.009 | 63.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
966 | A | 978 | HOH | 0 | 0.007 | 0.001 | 32.133 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
967 | A | 979 | HOH | 0 | -0.017 | -0.008 | 53.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
968 | A | 980 | HOH | 0 | -0.001 | -0.005 | 42.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
969 | A | 981 | HOH | 0 | -0.019 | -0.006 | 45.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
970 | A | 982 | HOH | 0 | 0.028 | 0.012 | 38.707 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
971 | A | 983 | HOH | 0 | -0.047 | -0.021 | 67.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
972 | A | 984 | HOH | 0 | 0.030 | 0.014 | 48.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
973 | A | 985 | HOH | 0 | 0.091 | 0.106 | 51.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
974 | A | 986 | HOH | 0 | 0.004 | -0.002 | 58.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
975 | A | 987 | HOH | 0 | 0.009 | 0.006 | 39.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
976 | A | 988 | HOH | 0 | 0.037 | 0.060 | 41.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
977 | A | 989 | HOH | 0 | 0.017 | 0.008 | 50.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
978 | A | 990 | HOH | 0 | -0.038 | -0.018 | 52.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
979 | A | 991 | HOH | 0 | -0.050 | -0.041 | 7.473 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
980 | A | 992 | HOH | 0 | -0.021 | -0.038 | 50.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
981 | A | 993 | HOH | 0 | 0.022 | 0.045 | 75.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
982 | A | 994 | HOH | 0 | 0.007 | 0.003 | 32.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
983 | A | 995 | HOH | 0 | 0.023 | 0.044 | 24.654 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
984 | A | 996 | HOH | 0 | 0.014 | 0.004 | 34.815 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
985 | A | 997 | HOH | 0 | -0.036 | -0.049 | 14.479 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
986 | A | 998 | HOH | 0 | 0.023 | 0.009 | 61.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
987 | A | 999 | HOH | 0 | -0.020 | -0.010 | 2.357 | -7.944 | -6.988 | 2.087 | -1.680 | -1.363 | 0.020 |
988 | A | 1000 | HOH | 0 | 0.016 | 0.030 | 38.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
989 | A | 1001 | HOH | 0 | -0.001 | 0.010 | 58.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
990 | A | 1002 | HOH | 0 | -0.038 | -0.059 | 38.941 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
991 | A | 1003 | HOH | 0 | 0.005 | -0.001 | 34.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
992 | A | 1004 | HOH | 0 | -0.029 | -0.012 | 69.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
993 | A | 1005 | HOH | 0 | -0.034 | -0.015 | 71.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
994 | A | 1006 | HOH | 0 | -0.017 | -0.010 | 53.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
995 | A | 1007 | HOH | 0 | 0.008 | -0.010 | 59.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
996 | A | 1008 | HOH | 0 | -0.019 | -0.017 | 29.131 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
997 | A | 1009 | HOH | 0 | -0.004 | -0.001 | 55.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
998 | A | 1010 | HOH | 0 | -0.045 | -0.061 | 46.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
999 | A | 1011 | HOH | 0 | 0.015 | 0.005 | 55.368 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1000 | A | 1012 | HOH | 0 | -0.025 | -0.034 | 55.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1001 | A | 1013 | HOH | 0 | -0.038 | -0.023 | 59.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1002 | A | 1014 | HOH | 0 | 0.039 | 0.074 | 74.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1003 | A | 1015 | HOH | 0 | -0.016 | -0.005 | 36.871 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1004 | A | 1016 | HOH | 0 | 0.012 | 0.004 | 47.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1005 | A | 1017 | HOH | 0 | -0.028 | -0.012 | 67.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1006 | A | 1018 | HOH | 0 | -0.004 | -0.002 | 39.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1007 | A | 1019 | HOH | 0 | -0.011 | -0.007 | 55.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1008 | A | 1020 | HOH | 0 | 0.033 | 0.028 | 33.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1009 | A | 1021 | HOH | 0 | 0.045 | 0.058 | 45.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1010 | A | 1022 | HOH | 0 | 0.003 | 0.001 | 31.549 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
1011 | A | 1023 | HOH | 0 | 0.014 | 0.014 | 58.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1012 | A | 1024 | HOH | 0 | -0.009 | -0.003 | 35.786 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1013 | A | 1025 | HOH | 0 | -0.019 | -0.012 | 55.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1014 | A | 1026 | HOH | 0 | 0.013 | 0.006 | 33.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1015 | A | 1027 | HOH | 0 | -0.022 | -0.014 | 49.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1016 | A | 1028 | HOH | 0 | -0.013 | -0.004 | 70.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1017 | A | 1029 | HOH | 0 | -0.002 | 0.002 | 57.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1018 | A | 1030 | HOH | 0 | 0.053 | 0.072 | 7.608 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
1019 | A | 1031 | HOH | 0 | -0.030 | -0.025 | 41.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1020 | A | 1032 | HOH | 0 | 0.068 | 0.065 | 36.976 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
1021 | A | 1033 | HOH | 0 | -0.020 | -0.033 | 33.670 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1022 | A | 1034 | HOH | 0 | -0.014 | -0.025 | 33.904 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1023 | A | 1035 | HOH | 0 | 0.039 | 0.024 | 62.146 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1024 | A | 1036 | HOH | 0 | 0.045 | 0.017 | 58.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1025 | A | 1037 | HOH | 0 | 0.023 | 0.022 | 53.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1026 | A | 1038 | HOH | 0 | -0.006 | -0.004 | 29.747 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1027 | A | 1039 | HOH | 0 | 0.006 | 0.002 | 51.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1028 | A | 1040 | HOH | 0 | -0.012 | -0.006 | 61.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1029 | A | 1041 | HOH | 0 | -0.008 | -0.002 | 28.147 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
1030 | A | 1042 | HOH | 0 | 0.084 | 0.100 | 48.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1031 | A | 1043 | HOH | 0 | -0.005 | -0.002 | 57.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1032 | A | 1044 | HOH | 0 | 0.014 | 0.004 | 46.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1033 | A | 1045 | HOH | 0 | -0.011 | -0.013 | 55.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1034 | A | 1046 | HOH | 0 | 0.000 | 0.002 | 32.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
1035 | A | 1047 | HOH | 0 | -0.019 | -0.013 | 42.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1036 | A | 1048 | HOH | 0 | -0.022 | -0.030 | 48.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1037 | A | 1049 | HOH | 0 | 0.016 | 0.007 | 66.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1038 | A | 1050 | HOH | 0 | -0.030 | -0.043 | 56.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1039 | A | 1051 | HOH | 0 | 0.028 | 0.016 | 54.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1040 | A | 1052 | HOH | 0 | 0.062 | 0.052 | 67.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1041 | A | 1053 | HOH | 0 | -0.033 | -0.019 | 51.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1042 | A | 1054 | HOH | 0 | -0.062 | -0.076 | 76.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1043 | A | 1055 | HOH | 0 | 0.028 | 0.012 | 52.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1044 | A | 1056 | HOH | 0 | -0.054 | -0.072 | 38.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1045 | A | 1057 | HOH | 0 | 0.000 | 0.000 | 74.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1046 | A | 1058 | HOH | 0 | 0.016 | 0.013 | 43.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1047 | A | 1059 | HOH | 0 | -0.040 | -0.043 | 68.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1048 | A | 1060 | HOH | 0 | 0.005 | 0.001 | 58.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1049 | A | 1061 | HOH | 0 | -0.044 | -0.052 | 25.683 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
1050 | A | 1062 | HOH | 0 | -0.025 | -0.025 | 26.894 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
1051 | A | 1063 | HOH | 0 | 0.053 | 0.072 | 40.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1052 | A | 1064 | HOH | 0 | 0.004 | 0.001 | 59.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1053 | A | 1065 | HOH | 0 | 0.025 | 0.025 | 27.710 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
1054 | B | 701 | HOH | 0 | -0.072 | -0.096 | 15.318 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
1055 | B | 702 | HOH | 0 | -0.099 | -0.110 | 21.483 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
1056 | B | 703 | HOH | 0 | -0.045 | -0.074 | 5.882 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
1057 | B | 704 | HOH | 0 | -0.046 | -0.062 | 28.089 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
1058 | B | 705 | HOH | 0 | 0.013 | 0.017 | 33.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1059 | B | 706 | HOH | 0 | 0.006 | 0.005 | 19.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1060 | B | 707 | HOH | 0 | -0.001 | -0.013 | 36.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1061 | B | 708 | HOH | 0 | -0.022 | -0.030 | 19.066 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
1062 | B | 709 | HOH | 0 | -0.047 | -0.047 | 17.812 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
1063 | B | 710 | HOH | 0 | -0.041 | -0.046 | 21.971 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
1064 | B | 711 | HOH | 0 | -0.003 | -0.002 | 29.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1065 | B | 712 | HOH | 0 | 0.041 | 0.034 | 8.576 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
1066 | B | 713 | HOH | 0 | -0.009 | -0.016 | 31.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1067 | B | 714 | HOH | 0 | -0.007 | 0.003 | 29.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1068 | B | 715 | HOH | 0 | 0.001 | 0.008 | 6.681 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
1069 | B | 716 | HOH | 0 | 0.005 | 0.005 | 23.937 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1070 | B | 717 | HOH | 0 | -0.043 | -0.054 | 13.312 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
1071 | B | 718 | HOH | 0 | 0.060 | 0.036 | 11.013 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
1072 | B | 719 | HOH | 0 | -0.032 | -0.041 | 34.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1073 | B | 720 | HOH | 0 | -0.007 | -0.011 | 40.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1074 | B | 721 | HOH | 0 | -0.003 | -0.004 | 10.808 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
1075 | B | 722 | HOH | 0 | 0.010 | -0.005 | 25.846 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
1076 | B | 723 | HOH | 0 | -0.035 | -0.022 | 34.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1077 | B | 724 | HOH | 0 | -0.040 | -0.024 | 25.802 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
1078 | B | 725 | HOH | 0 | -0.031 | -0.028 | 19.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1079 | B | 726 | HOH | 0 | 0.024 | 0.017 | 20.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1080 | B | 727 | HOH | 0 | -0.030 | -0.025 | 24.639 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
1081 | B | 728 | HOH | 0 | -0.026 | -0.015 | 26.659 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1082 | B | 729 | HOH | 0 | -0.033 | -0.015 | 30.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1083 | B | 730 | HOH | 0 | -0.019 | -0.018 | 32.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1084 | B | 731 | HOH | 0 | 0.029 | 0.015 | 38.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1085 | B | 732 | HOH | 0 | -0.024 | -0.043 | 29.142 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
1086 | B | 733 | HOH | 0 | 0.008 | 0.007 | 38.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1087 | B | 734 | HOH | 0 | -0.001 | -0.014 | 36.575 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1088 | B | 735 | HOH | 0 | -0.027 | -0.025 | 30.905 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1089 | B | 736 | HOH | 0 | 0.041 | 0.033 | 8.848 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
1090 | B | 737 | HOH | 0 | 0.026 | 0.029 | 12.755 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
1091 | B | 738 | HOH | 0 | 0.001 | -0.010 | 36.169 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1092 | B | 739 | HOH | 0 | 0.017 | 0.015 | 28.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1093 | B | 740 | HOH | 0 | -0.020 | -0.010 | 39.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1094 | B | 741 | HOH | 0 | -0.020 | -0.029 | 27.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1095 | B | 742 | HOH | 0 | -0.024 | -0.011 | 9.783 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
1096 | B | 743 | HOH | 0 | 0.029 | 0.013 | 13.802 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1097 | B | 744 | HOH | 0 | 0.036 | 0.014 | 21.354 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
1098 | B | 745 | HOH | 0 | -0.035 | -0.013 | 29.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1099 | B | 746 | HOH | 0 | 0.027 | 0.012 | 32.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1100 | B | 747 | HOH | 0 | -0.079 | -0.053 | 40.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1101 | B | 748 | HOH | 0 | 0.035 | 0.014 | 35.393 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1102 | B | 749 | HOH | 0 | 0.019 | 0.006 | 29.314 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
1103 | B | 750 | HOH | 0 | -0.013 | -0.006 | 37.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1104 | B | 751 | HOH | 0 | 0.001 | 0.002 | 12.344 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
1105 | B | 752 | HOH | 0 | 0.030 | 0.011 | 40.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1106 | B | 753 | HOH | 0 | 0.001 | -0.011 | 39.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
1107 | B | 754 | HOH | 0 | -0.024 | -0.007 | 21.438 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
1108 | B | 755 | HOH | 0 | 0.011 | 0.003 | 43.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
1109 | B | 756 | HOH | 0 | 0.065 | 0.060 | 28.441 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
1110 | B | 757 | HOH | 0 | 0.000 | 0.000 | 47.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |