![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: P4Q3N
Calculation Name: 3P02-A-Xray42
Preferred Name:
Target Type:
Ligand Name: 1,2-ethanediol
ligand 3-letter code: EDO
PDB ID: 3P02
Chain ID: A
UniProt ID: A7LR42
Base Structure: X-ray
Registration Date: 2019-02-15
Reference:
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | Missing residues were capped by ACE, NME. Missing atoms were corrected by Structure prepareation by MOE. |
Water | Apo structure with with a 3 angstrom solvent shell. |
Procedure | Auto-FMO protocol ver. 1.20180227 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 628 |
LigandCharge | |
Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
FMO2-HF: Electronic energy | -6223706.331986 |
---|---|
FMO2-HF: Nuclear repulsion | 6073008.771464 |
FMO2-HF: Total energy | -150697.560522 |
FMO2-MP2: Total energy | -151134.303135 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F002441/ligand_interaction/ligand_F002441.png)
Ligand Interaction
![ligand interaction](./Kdata/F002441/ligand_interaction/ligand_interaction_F002441.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:24:ACE)
Summations of interaction energy for
fragment #1(A:24:ACE)
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. |
1.321 | 2.074 | -0.011 | -0.312 | -0.43 | 0 |
Interaction energy analysis for fragmet #1(A:24:ACE)
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 | 26 | THR | 0 | 0.036 | 0.022 | 3.846 | 0.967 | 1.720 | -0.011 | -0.312 | -0.430 | 0.000 |
4 | A | 27 | ASP | -1 | -0.819 | -0.919 | 6.964 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 28 | GLU | -1 | -0.894 | -0.962 | 10.671 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 29 | GLN | 0 | -0.018 | 0.002 | 5.429 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 30 | PHE | 0 | 0.034 | 0.020 | 7.008 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 31 | LYS | 1 | 0.893 | 0.957 | 11.806 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 32 | GLN | 0 | -0.028 | -0.004 | 11.744 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 33 | LEU | 0 | -0.041 | 0.016 | 12.115 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 34 | ILE | 0 | 0.045 | 0.017 | 16.300 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 35 | SER | 0 | -0.066 | -0.017 | 19.159 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 36 | PHE | 0 | 0.064 | 0.030 | 21.244 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 37 | LYS | 1 | 0.903 | 0.976 | 24.342 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 38 | THR | 0 | -0.011 | -0.011 | 26.829 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 39 | GLN | 0 | -0.040 | -0.029 | 28.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 40 | PRO | 0 | -0.041 | -0.012 | 27.830 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 41 | GLY | 0 | 0.023 | 0.010 | 31.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 42 | GLY | 0 | 0.035 | 0.009 | 31.899 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 43 | TRP | 0 | 0.002 | 0.001 | 32.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 44 | GLY | 0 | 0.018 | 0.018 | 29.491 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 45 | VAL | 0 | -0.003 | 0.034 | 29.494 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 46 | THR | 0 | -0.016 | -0.025 | 30.758 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 47 | ASP | -1 | -0.819 | -0.892 | 33.417 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 48 | VAL | 0 | -0.036 | -0.014 | 36.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 49 | HIS | 1 | 0.804 | 0.876 | 38.654 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 50 | VAL | 0 | 0.004 | -0.015 | 41.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 51 | ARG | 1 | 0.850 | 0.914 | 44.466 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 52 | TYR | 0 | 0.002 | -0.009 | 48.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 53 | ALA | 0 | 0.042 | 0.023 | 50.442 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 54 | ASN | 0 | 0.001 | -0.010 | 53.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 55 | SER | 0 | -0.035 | -0.008 | 50.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 56 | ALA | 0 | 0.001 | -0.004 | 47.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 57 | LYS | 1 | 0.871 | 0.951 | 45.302 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 58 | TYR | 0 | 0.033 | 0.017 | 39.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 59 | THR | 0 | 0.021 | 0.018 | 38.659 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 60 | TYR | 0 | 0.008 | 0.004 | 32.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 61 | ASN | 0 | 0.024 | 0.013 | 34.895 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 62 | LEU | 0 | 0.037 | 0.022 | 28.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 63 | PRO | 0 | -0.013 | -0.008 | 29.122 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 64 | VAL | 0 | -0.006 | 0.003 | 24.396 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 65 | LEU | 0 | -0.046 | -0.033 | 23.074 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 66 | VAL | 0 | 0.045 | 0.023 | 20.283 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 67 | SER | 0 | -0.107 | -0.072 | 17.978 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 68 | GLY | 0 | 0.039 | -0.010 | 17.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 69 | SER | 0 | 0.023 | 0.024 | 16.067 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 70 | THR | 0 | -0.049 | -0.021 | 12.932 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 71 | ASP | -1 | -0.815 | -0.895 | 15.860 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 72 | ASN | 0 | -0.121 | -0.064 | 19.016 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 73 | THR | 0 | -0.014 | -0.012 | 20.129 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 74 | ASP | -1 | -0.906 | -0.947 | 20.508 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 75 | ASP | -1 | -0.843 | -0.904 | 23.147 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 76 | ARG | 1 | 0.727 | 0.832 | 17.297 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 77 | LEU | 0 | 0.046 | 0.035 | 22.813 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 78 | VAL | 0 | -0.021 | -0.016 | 22.574 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 79 | SER | 0 | 0.077 | 0.054 | 22.546 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 80 | PHE | 0 | 0.003 | -0.023 | 23.952 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 81 | SER | 0 | 0.001 | 0.013 | 24.511 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 82 | LEU | 0 | 0.003 | 0.003 | 26.880 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 83 | ARG | 1 | 0.746 | 0.854 | 20.194 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 84 | ASP | -1 | -0.747 | -0.857 | 26.344 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 85 | ASP | -1 | -0.780 | -0.831 | 22.609 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 86 | THR | 0 | -0.004 | -0.011 | 25.250 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 87 | LEU | 0 | 0.001 | -0.004 | 26.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 88 | ASP | -1 | -0.807 | -0.865 | 28.765 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 89 | ILE | 0 | -0.006 | 0.015 | 23.019 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 90 | LEU | 0 | -0.054 | -0.024 | 27.210 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 91 | ASN | 0 | 0.014 | -0.004 | 28.704 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 92 | PHE | 0 | 0.008 | 0.022 | 29.367 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 93 | GLU | -1 | -0.752 | -0.852 | 24.614 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 94 | LYS | 1 | 0.851 | 0.952 | 29.312 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 95 | PHE | 0 | 0.035 | 0.013 | 32.186 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 96 | GLY | 0 | 0.028 | 0.042 | 33.467 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 97 | ASN | 0 | -0.018 | -0.015 | 34.656 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 98 | ARG | 1 | 0.919 | 0.955 | 37.256 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 99 | PRO | 0 | 0.083 | 0.049 | 38.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 100 | GLU | -1 | -0.703 | -0.804 | 39.337 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 101 | LEU | 0 | -0.050 | -0.011 | 38.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 102 | TYR | 0 | -0.078 | -0.033 | 35.103 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 103 | PHE | 0 | 0.034 | 0.007 | 33.778 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 104 | ARG | 1 | 0.880 | 0.929 | 35.691 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 105 | GLU | -1 | -0.692 | -0.807 | 33.083 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 106 | LEU | 0 | -0.018 | 0.008 | 35.669 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 107 | PRO | 0 | 0.004 | 0.004 | 36.994 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 108 | GLN | 0 | 0.132 | 0.061 | 36.838 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 109 | LYS | 1 | 0.915 | 0.976 | 38.553 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 110 | TYR | 0 | -0.044 | -0.037 | 40.633 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 111 | TYR | 0 | -0.021 | -0.022 | 34.526 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 112 | SER | 0 | 0.029 | 0.026 | 37.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 113 | PHE | 0 | 0.034 | 0.014 | 29.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 114 | PRO | 0 | 0.001 | 0.027 | 32.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 115 | LYS | 1 | 0.902 | 0.937 | 29.399 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 116 | GLU | -1 | -0.922 | -0.956 | 26.911 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 117 | LEU | 0 | -0.046 | -0.025 | 27.661 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 118 | THR | 0 | 0.019 | 0.035 | 26.993 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 119 | ILE | 0 | -0.047 | -0.018 | 23.989 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 120 | PRO | 0 | 0.032 | 0.013 | 26.052 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 121 | ALA | 0 | 0.073 | 0.041 | 25.197 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 122 | GLY | 0 | -0.050 | -0.017 | 25.388 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 123 | GLN | 0 | -0.092 | -0.037 | 27.075 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 124 | SER | 0 | 0.011 | 0.010 | 24.304 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 125 | HIS | 0 | 0.016 | 0.031 | 25.364 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 126 | ALA | 0 | 0.079 | 0.036 | 27.378 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 127 | LEU | 0 | 0.010 | 0.011 | 29.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 128 | LEU | 0 | 0.025 | 0.032 | 28.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 129 | PRO | 0 | 0.015 | 0.018 | 31.428 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 130 | ILE | 0 | 0.000 | -0.009 | 31.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 131 | GLU | -1 | -0.853 | -0.883 | 35.979 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 132 | PHE | 0 | 0.004 | 0.003 | 35.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 133 | SER | 0 | -0.007 | -0.026 | 41.005 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 134 | LEU | 0 | -0.003 | -0.017 | 41.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 135 | ASP | -1 | -0.737 | -0.840 | 45.381 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 136 | GLY | 0 | 0.050 | 0.039 | 48.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 137 | LEU | 0 | -0.045 | -0.002 | 42.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 138 | ASP | -1 | -0.752 | -0.861 | 46.394 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 139 | ASP | -1 | -0.746 | -0.826 | 45.785 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 140 | SER | 0 | -0.015 | -0.017 | 46.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 141 | GLN | 0 | -0.032 | -0.009 | 42.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 142 | LYS | 1 | 0.815 | 0.921 | 38.447 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 143 | TRP | 0 | -0.020 | -0.027 | 38.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 144 | ALA | 0 | 0.009 | -0.017 | 33.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 145 | LEU | 0 | 0.011 | 0.013 | 32.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 146 | PRO | 0 | -0.027 | 0.009 | 28.007 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 147 | LEU | 0 | 0.035 | 0.013 | 27.431 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 148 | LYS | 1 | 0.826 | 0.896 | 17.314 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 149 | VAL | 0 | 0.010 | 0.027 | 21.030 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 150 | CYS | 0 | -0.072 | -0.043 | 18.576 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 151 | GLU | -1 | -0.720 | -0.805 | 17.592 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 152 | ASP | -1 | -0.944 | -1.014 | 17.746 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 153 | ALA | 0 | 0.102 | 0.103 | 17.819 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 154 | ASN | 0 | 0.043 | 0.053 | 12.240 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 155 | GLY | 0 | 0.063 | 0.012 | 11.968 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 156 | THR | 0 | -0.042 | -0.037 | 8.536 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 157 | TYR | 0 | 0.024 | -0.001 | 11.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 158 | ALA | 0 | -0.025 | 0.001 | 13.263 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 159 | VAL | 0 | -0.012 | 0.007 | 8.466 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 160 | ASN | 0 | -0.016 | 0.000 | 10.853 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 161 | PRO | 0 | 0.079 | 0.032 | 13.709 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 162 | ARG | 1 | 0.858 | 0.895 | 16.783 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 163 | LYS | 1 | 0.937 | 0.977 | 13.483 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 164 | TYR | 0 | -0.047 | -0.024 | 11.991 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 165 | TYR | 0 | 0.005 | 0.015 | 17.424 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 166 | ARG | 1 | 0.848 | 0.904 | 13.915 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 167 | THR | 0 | 0.002 | 0.011 | 20.279 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 168 | ALA | 0 | 0.005 | 0.026 | 23.490 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 169 | VAL | 0 | -0.011 | -0.007 | 27.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 170 | LEU | 0 | -0.011 | -0.003 | 29.965 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 171 | ARG | 1 | 0.888 | 0.944 | 33.370 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 172 | PRO | 0 | -0.010 | 0.010 | 36.632 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 173 | ILE | 0 | -0.011 | -0.014 | 39.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 174 | LEU | 0 | 0.011 | 0.007 | 42.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 175 | PHE | 0 | -0.018 | -0.012 | 45.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 176 | ASN | 0 | 0.029 | 0.006 | 48.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 177 | GLU | -1 | -0.764 | -0.854 | 52.431 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 178 | PHE | 0 | 0.010 | 0.004 | 55.354 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 179 | SER | 0 | 0.010 | 0.021 | 50.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 180 | GLY | 0 | 0.017 | 0.014 | 49.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 181 | ARG | 1 | 0.752 | 0.855 | 46.689 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 182 | PHE | 0 | 0.032 | 0.049 | 51.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 183 | SER | 0 | 0.019 | 0.000 | 54.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 184 | GLY | 0 | 0.028 | 0.009 | 56.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 185 | SER | 0 | -0.001 | -0.012 | 57.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 186 | SER | 0 | -0.011 | 0.023 | 60.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 187 | LEU | 0 | -0.012 | 0.017 | 59.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 188 | LEU | 0 | -0.023 | -0.014 | 61.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 189 | GLY | 0 | 0.083 | 0.052 | 62.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 190 | THR | 0 | -0.045 | -0.009 | 63.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 191 | MET | 0 | 0.030 | 0.000 | 65.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 192 | ALA | 0 | 0.020 | 0.013 | 68.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 193 | GLY | 0 | 0.012 | 0.005 | 70.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 194 | GLU | -1 | -0.883 | -0.920 | 71.910 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 195 | SER | 0 | 0.004 | 0.001 | 71.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 196 | ASP | -1 | -0.878 | -0.923 | 69.650 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 197 | ILE | 0 | 0.012 | -0.005 | 63.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 198 | LYS | 1 | 0.861 | 0.951 | 63.465 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 199 | PHE | 0 | 0.017 | 0.022 | 58.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 200 | SER | 0 | 0.026 | 0.017 | 58.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 201 | SER | 0 | 0.006 | 0.009 | 54.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 202 | THR | 0 | -0.014 | 0.001 | 52.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 203 | GLU | -1 | -0.855 | -0.912 | 48.778 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 204 | ILE | 0 | -0.034 | 0.001 | 52.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 205 | LYS | 1 | 0.914 | 0.972 | 45.074 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 206 | LEU | 0 | -0.024 | -0.004 | 51.370 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 207 | ASN | 0 | 0.033 | 0.015 | 48.882 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 208 | VAL | 0 | 0.017 | 0.005 | 49.310 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 209 | VAL | 0 | -0.029 | 0.011 | 50.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 210 | THR | 0 | 0.028 | -0.006 | 52.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 211 | ASP | -1 | -0.772 | -0.860 | 54.085 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 212 | SER | 0 | -0.006 | 0.008 | 55.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 213 | ILE | 0 | -0.019 | -0.001 | 56.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 214 | VAL | 0 | 0.003 | -0.003 | 54.221 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 215 | PHE | 0 | 0.019 | -0.003 | 49.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 216 | PHE | 0 | -0.021 | 0.006 | 53.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 217 | TYR | 0 | -0.055 | -0.040 | 48.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 218 | ALA | 0 | 0.062 | 0.024 | 54.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 219 | GLY | 0 | 0.080 | 0.014 | 56.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 220 | GLN | 0 | -0.030 | 0.038 | 54.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 221 | ARG | 1 | 0.783 | 0.901 | 51.941 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 222 | THR | 0 | 0.001 | -0.024 | 47.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 223 | GLU | -1 | -0.767 | -0.884 | 43.040 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 224 | ASP | -1 | -0.788 | -0.863 | 42.967 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 225 | TYR | 0 | -0.037 | -0.011 | 44.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 226 | GLU | -1 | -0.766 | -0.885 | 46.002 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 227 | ASP | -1 | -0.774 | -0.841 | 47.333 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 228 | ARG | 1 | 0.865 | 0.929 | 44.074 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 229 | ILE | 0 | 0.006 | -0.006 | 48.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 230 | ASN | 0 | -0.023 | -0.006 | 52.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 231 | TYR | 0 | 0.015 | -0.001 | 54.342 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 232 | LYS | 1 | 0.789 | 0.914 | 51.971 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 233 | VAL | 0 | 0.011 | 0.020 | 55.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 234 | PHE | 0 | -0.021 | -0.013 | 55.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 235 | LEU | 0 | 0.001 | -0.004 | 58.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 236 | GLN | 0 | 0.030 | 0.026 | 59.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 237 | PHE | 0 | 0.037 | 0.017 | 58.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 238 | THR | 0 | -0.025 | -0.018 | 62.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 239 | GLY | 0 | 0.092 | 0.056 | 65.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 240 | ASP | -1 | -0.838 | -0.913 | 66.892 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 241 | LYS | 1 | 0.915 | 0.970 | 70.427 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 242 | VAL | 0 | -0.021 | -0.005 | 71.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 243 | ASP | -1 | -0.791 | -0.858 | 74.273 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 244 | SER | 0 | 0.041 | 0.011 | 76.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 245 | LYS | 1 | 0.923 | 0.958 | 77.195 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 246 | LYS | 1 | 0.824 | 0.905 | 75.089 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 247 | ASP | -1 | -0.801 | -0.850 | 70.221 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 248 | LEU | 0 | 0.003 | 0.022 | 69.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 249 | TYR | 0 | 0.001 | 0.018 | 67.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 250 | LYS | 1 | 0.946 | 0.970 | 68.501 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 251 | MET | 0 | -0.010 | 0.028 | 61.809 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 252 | LYS | 1 | 0.918 | 0.979 | 64.812 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 253 | ILE | 0 | 0.032 | 0.015 | 62.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 254 | TRP | 0 | -0.072 | -0.032 | 60.196 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 255 | ALA | 0 | 0.035 | 0.035 | 60.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 256 | GLU | -1 | -0.767 | -0.850 | 56.930 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 257 | ASN | 0 | -0.026 | -0.012 | 58.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 258 | GLU | -1 | -0.872 | -0.950 | 60.016 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 259 | LYS | 1 | 0.915 | 0.958 | 58.931 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 260 | LEU | 0 | -0.019 | 0.006 | 59.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 261 | LYS | 1 | 0.901 | 0.966 | 62.365 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 262 | PHE | 0 | 0.011 | 0.004 | 63.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 263 | ASN | 0 | 0.000 | 0.007 | 65.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 264 | SER | 0 | -0.012 | -0.018 | 67.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 265 | TYR | 0 | -0.015 | -0.016 | 69.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 266 | SER | 0 | 0.013 | 0.006 | 70.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 267 | THR | 0 | -0.078 | -0.007 | 69.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 268 | PRO | 0 | 0.066 | 0.040 | 65.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 269 | THR | 0 | -0.011 | 0.013 | 67.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 270 | TYR | 0 | 0.002 | -0.009 | 63.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 271 | LYS | 1 | 0.863 | 0.928 | 65.404 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 272 | VAL | 0 | 0.031 | 0.015 | 61.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 273 | SER | 0 | -0.046 | -0.015 | 63.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 274 | SER | 0 | 0.046 | 0.001 | 60.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 275 | GLU | -1 | -0.892 | -0.897 | 61.517 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 276 | MET | 0 | -0.026 | -0.002 | 57.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 277 | ASP | -1 | -0.757 | -0.851 | 58.182 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 278 | ALA | 0 | 0.014 | 0.001 | 60.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 279 | THR | 0 | -0.061 | -0.025 | 59.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 280 | LYS | 1 | 0.919 | 0.970 | 52.589 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 281 | THR | 0 | 0.007 | 0.009 | 57.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 282 | TYR | 0 | 0.045 | 0.037 | 51.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 283 | LEU | 0 | -0.022 | -0.005 | 52.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 284 | LYS | 1 | 0.930 | 0.969 | 55.344 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 285 | HIS | 1 | 0.806 | 0.882 | 56.024 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 286 | THR | 0 | 0.010 | -0.002 | 56.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 287 | TYR | 0 | -0.078 | -0.039 | 57.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 288 | ILE | 0 | -0.009 | 0.002 | 57.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 289 | VAL | 0 | -0.021 | -0.011 | 60.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 290 | ILE | 0 | 0.008 | 0.002 | 59.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 291 | SER | 0 | -0.032 | -0.031 | 64.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 292 | ASP | -1 | -0.779 | -0.842 | 67.179 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 293 | ILE | 0 | 0.008 | 0.015 | 62.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 294 | ASP | -1 | -0.771 | -0.880 | 66.762 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 295 | PHE | 0 | -0.003 | 0.006 | 61.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 296 | ASP | -1 | -0.728 | -0.822 | 66.420 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 297 | PHE | 0 | -0.035 | -0.039 | 60.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 298 | VAL | 0 | 0.038 | 0.023 | 63.175 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 299 | ASP | -1 | -0.713 | -0.818 | 58.353 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 300 | TYR | 0 | -0.015 | -0.029 | 57.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 301 | THR | 0 | -0.024 | -0.014 | 54.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 302 | SER | 0 | 0.010 | -0.015 | 55.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 303 | VAL | 0 | -0.003 | 0.007 | 56.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 304 | PRO | 0 | 0.038 | 0.015 | 56.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 305 | ASN | 0 | -0.060 | -0.028 | 58.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 306 | TYR | 0 | 0.011 | 0.009 | 61.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 307 | GLU | -1 | -0.848 | -0.924 | 61.899 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 308 | ILE | 0 | -0.026 | 0.002 | 62.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 309 | GLU | -1 | -0.768 | -0.830 | 64.265 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 310 | TYR | 0 | -0.036 | -0.009 | 60.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 311 | ASN | 0 | 0.040 | 0.021 | 65.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 312 | MET | 0 | -0.085 | -0.010 | 59.229 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 313 | LYS | 1 | 0.891 | 0.948 | 64.705 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 314 | GLY | 0 | -0.005 | -0.005 | 65.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 315 | GLY | 0 | 0.004 | -0.003 | 64.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 316 | LEU | 0 | -0.057 | -0.002 | 58.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 317 | SER | 0 | -0.005 | -0.002 | 59.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 318 | VAL | 0 | 0.022 | 0.036 | 54.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 319 | SER | 0 | 0.035 | 0.010 | 56.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 320 | ARG | 1 | 0.800 | 0.889 | 52.318 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 321 | ASP | -1 | -0.775 | -0.857 | 52.122 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 322 | LEU | 0 | -0.005 | -0.001 | 51.139 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 323 | ASP | -1 | -0.760 | -0.851 | 49.201 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 324 | THR | 0 | -0.013 | -0.031 | 50.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 325 | ARG | 1 | 0.814 | 0.888 | 49.828 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 326 | LYS | 1 | 0.829 | 0.931 | 44.275 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 327 | PRO | 0 | 0.071 | 0.050 | 45.042 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 328 | ASP | -1 | -0.770 | -0.888 | 46.827 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 329 | GLU | -1 | -0.751 | -0.846 | 42.860 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 330 | ASP | -1 | -0.840 | -0.876 | 41.589 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 331 | GLN | 0 | -0.047 | 0.000 | 43.446 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 332 | GLY | 0 | 0.056 | 0.041 | 43.694 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 333 | SER | 0 | 0.037 | 0.006 | 44.072 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 334 | ASP | -1 | -0.867 | -0.928 | 45.778 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 335 | SER | 0 | -0.019 | -0.007 | 47.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 336 | LYS | 1 | 0.814 | 0.905 | 49.082 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 337 | TRP | 0 | -0.004 | 0.008 | 47.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 338 | TRP | -1 | -0.761 | -0.833 | 43.249 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 1 | EDO | 0 | -0.018 | 0.001 | 74.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 2 | EDO | 0 | -0.005 | -0.007 | 51.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 3 | EDO | 0 | -0.036 | -0.034 | 56.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 4 | EDO | 0 | -0.018 | -0.029 | 16.991 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 5 | EDO | 0 | 0.014 | 0.013 | 62.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 6 | EDO | 0 | -0.095 | -0.063 | 44.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 9 | HOH | 0 | -0.010 | -0.005 | 47.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 10 | HOH | 0 | -0.035 | -0.026 | 66.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 11 | HOH | 0 | -0.046 | -0.031 | 60.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 12 | HOH | 0 | 0.000 | -0.005 | 60.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 13 | HOH | 0 | 0.001 | -0.003 | 57.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 14 | HOH | 0 | 0.002 | 0.005 | 49.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 15 | HOH | 0 | -0.004 | 0.008 | 61.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 16 | HOH | 0 | -0.018 | -0.028 | 56.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 17 | HOH | 0 | -0.029 | -0.023 | 76.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 18 | HOH | 0 | 0.004 | -0.018 | 47.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 19 | HOH | 0 | -0.037 | -0.026 | 66.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 20 | HOH | 0 | -0.020 | -0.021 | 79.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 340 | HOH | 0 | 0.025 | 0.019 | 48.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 341 | HOH | 0 | 0.032 | 0.025 | 52.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 342 | HOH | 0 | -0.018 | -0.018 | 56.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 343 | HOH | 0 | 0.002 | -0.008 | 56.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 344 | HOH | 0 | -0.024 | -0.023 | 59.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 346 | HOH | 0 | 0.010 | 0.002 | 63.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 348 | HOH | 0 | -0.037 | -0.035 | 69.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 349 | HOH | 0 | -0.022 | -0.058 | 54.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 350 | HOH | 0 | 0.023 | 0.017 | 57.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 351 | HOH | 0 | -0.024 | -0.003 | 55.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 352 | HOH | 0 | -0.063 | -0.066 | 43.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 353 | HOH | 0 | -0.027 | -0.041 | 22.074 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 355 | HOH | 0 | 0.015 | 0.000 | 49.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 357 | HOH | 0 | -0.029 | -0.020 | 41.001 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 358 | HOH | 0 | -0.055 | -0.038 | 28.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 360 | HOH | 0 | -0.033 | -0.025 | 36.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 364 | HOH | 0 | -0.042 | -0.032 | 45.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 366 | HOH | 0 | 0.016 | 0.008 | 39.194 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 370 | HOH | 0 | -0.054 | -0.049 | 20.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 372 | HOH | 0 | 0.027 | 0.012 | 49.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 374 | HOH | 0 | -0.075 | -0.048 | 43.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 376 | HOH | 0 | 0.026 | 0.019 | 50.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 377 | HOH | 0 | 0.026 | 0.015 | 53.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 380 | HOH | 0 | -0.026 | -0.011 | 48.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 382 | HOH | 0 | -0.033 | -0.025 | 49.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 384 | HOH | 0 | 0.009 | -0.001 | 39.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 385 | HOH | 0 | 0.023 | 0.020 | 39.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 387 | HOH | 0 | -0.022 | -0.014 | 23.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 389 | HOH | 0 | 0.007 | 0.005 | 25.992 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 390 | HOH | 0 | 0.003 | -0.005 | 32.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 391 | HOH | 0 | -0.023 | -0.016 | 46.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 392 | HOH | 0 | -0.045 | -0.032 | 36.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 393 | HOH | 0 | -0.012 | -0.026 | 42.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 394 | HOH | 0 | -0.069 | -0.054 | 38.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 396 | HOH | 0 | 0.048 | 0.056 | 27.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 397 | HOH | 0 | 0.003 | 0.011 | 58.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 398 | HOH | 0 | -0.058 | -0.038 | 73.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 399 | HOH | 0 | -0.028 | -0.024 | 46.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 400 | HOH | 0 | -0.008 | -0.008 | 61.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 402 | HOH | 0 | -0.027 | -0.020 | 67.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 404 | HOH | 0 | 0.032 | 0.032 | 73.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 405 | HOH | 0 | 0.032 | 0.020 | 64.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 406 | HOH | 0 | -0.011 | -0.020 | 50.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 407 | HOH | 0 | 0.004 | -0.017 | 54.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 408 | HOH | 0 | -0.046 | -0.038 | 70.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 409 | HOH | 0 | -0.035 | -0.024 | 58.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 410 | HOH | 0 | -0.028 | -0.015 | 54.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 412 | HOH | 0 | -0.033 | -0.016 | 37.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 413 | HOH | 0 | 0.034 | 0.023 | 37.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 414 | HOH | 0 | -0.033 | -0.023 | 36.663 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 416 | HOH | 0 | -0.018 | -0.013 | 28.269 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 419 | HOH | 0 | 0.010 | 0.013 | 24.804 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 420 | HOH | 0 | 0.023 | 0.010 | 38.048 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 421 | HOH | 0 | -0.039 | -0.043 | 24.317 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 427 | HOH | 0 | 0.018 | 0.027 | 52.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 430 | HOH | 0 | -0.032 | -0.027 | 54.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 431 | HOH | 0 | -0.059 | -0.063 | 52.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 432 | HOH | 0 | 0.043 | 0.029 | 62.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 433 | HOH | 0 | -0.021 | -0.033 | 59.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 434 | HOH | 0 | 0.027 | 0.020 | 49.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 435 | HOH | 0 | -0.020 | -0.022 | 45.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 436 | HOH | 0 | 0.026 | 0.014 | 37.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 437 | HOH | 0 | 0.031 | 0.008 | 10.042 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 440 | HOH | 0 | 0.038 | 0.026 | 77.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 443 | HOH | 0 | 0.056 | 0.030 | 68.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 445 | HOH | 0 | -0.063 | -0.034 | 71.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 446 | HOH | 0 | -0.028 | -0.024 | 72.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 448 | HOH | 0 | -0.039 | -0.026 | 67.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 449 | HOH | 0 | -0.065 | -0.063 | 17.661 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 452 | HOH | 0 | -0.043 | -0.035 | 56.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 453 | HOH | 0 | -0.049 | -0.046 | 58.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 455 | HOH | 0 | 0.050 | 0.030 | 29.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 456 | HOH | 0 | 0.002 | -0.015 | 58.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 457 | HOH | 0 | -0.026 | -0.036 | 67.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 458 | HOH | 0 | -0.030 | -0.021 | 70.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 459 | HOH | 0 | -0.021 | -0.013 | 48.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 460 | HOH | 0 | -0.014 | -0.013 | 46.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 461 | HOH | 0 | -0.038 | -0.036 | 65.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 462 | HOH | 0 | 0.024 | 0.012 | 67.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 463 | HOH | 0 | -0.040 | -0.031 | 53.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 464 | HOH | 0 | -0.018 | -0.029 | 31.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 465 | HOH | 0 | -0.022 | -0.029 | 42.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 466 | HOH | 0 | -0.056 | -0.046 | 43.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 467 | HOH | 0 | -0.023 | -0.004 | 41.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 468 | HOH | 0 | 0.053 | 0.056 | 40.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 469 | HOH | 0 | 0.044 | 0.031 | 44.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 470 | HOH | 0 | 0.038 | 0.047 | 15.511 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 471 | HOH | 0 | -0.029 | -0.031 | 70.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 472 | HOH | 0 | -0.013 | -0.029 | 60.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 473 | HOH | 0 | -0.059 | -0.038 | 21.953 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 475 | HOH | 0 | -0.005 | -0.006 | 57.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 477 | HOH | 0 | 0.026 | 0.011 | 55.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 478 | HOH | 0 | -0.002 | -0.009 | 71.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 480 | HOH | 0 | -0.052 | -0.032 | 50.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 482 | HOH | 0 | 0.004 | -0.009 | 63.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 483 | HOH | 0 | -0.026 | -0.038 | 43.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 486 | HOH | 0 | -0.055 | -0.042 | 43.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 488 | HOH | 0 | -0.042 | -0.027 | 71.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 489 | HOH | 0 | 0.003 | 0.013 | 23.618 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 490 | HOH | 0 | -0.038 | -0.023 | 62.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 491 | HOH | 0 | -0.025 | -0.007 | 34.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 493 | HOH | 0 | -0.020 | -0.018 | 69.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 494 | HOH | 0 | -0.042 | -0.029 | 40.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 496 | HOH | 0 | -0.004 | -0.015 | 43.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 499 | HOH | 0 | -0.032 | -0.019 | 60.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 500 | HOH | 0 | -0.021 | -0.031 | 71.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 501 | HOH | 0 | -0.006 | -0.006 | 63.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 502 | HOH | 0 | 0.012 | 0.006 | 64.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 503 | HOH | 0 | -0.004 | -0.022 | 71.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 504 | HOH | 0 | -0.025 | -0.024 | 41.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 505 | HOH | 0 | -0.054 | -0.051 | 47.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 506 | HOH | 0 | -0.035 | -0.022 | 67.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 508 | HOH | 0 | -0.007 | -0.007 | 29.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 509 | HOH | 0 | 0.033 | 0.030 | 69.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 510 | HOH | 0 | -0.043 | -0.033 | 25.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 511 | HOH | 0 | -0.020 | -0.020 | 69.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 512 | HOH | 0 | -0.034 | -0.028 | 39.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 513 | HOH | 0 | -0.069 | -0.049 | 46.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 514 | HOH | 0 | -0.020 | -0.014 | 52.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 515 | HOH | 0 | 0.001 | -0.024 | 56.015 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 517 | HOH | 0 | -0.028 | -0.013 | 46.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 519 | HOH | 0 | -0.026 | -0.036 | 29.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 520 | HOH | 0 | -0.031 | -0.020 | 41.007 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 523 | HOH | 0 | 0.013 | 0.008 | 49.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 524 | HOH | 0 | -0.035 | -0.034 | 43.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 525 | HOH | 0 | -0.001 | -0.003 | 51.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 526 | HOH | 0 | -0.022 | -0.017 | 51.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 527 | HOH | 0 | 0.014 | 0.013 | 68.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 528 | HOH | 0 | -0.018 | -0.024 | 21.355 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 531 | HOH | 0 | -0.011 | -0.013 | 54.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 532 | HOH | 0 | -0.033 | -0.025 | 32.722 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 533 | HOH | 0 | -0.034 | -0.037 | 46.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 534 | HOH | 0 | -0.047 | -0.032 | 37.232 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 536 | HOH | 0 | 0.032 | 0.023 | 60.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 537 | HOH | 0 | -0.030 | -0.023 | 44.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 538 | HOH | 0 | -0.038 | -0.027 | 53.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 540 | HOH | 0 | 0.034 | 0.022 | 46.638 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 541 | HOH | 0 | 0.020 | -0.001 | 51.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 543 | HOH | 0 | -0.031 | -0.021 | 48.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 544 | HOH | 0 | -0.041 | -0.031 | 75.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 546 | HOH | 0 | 0.019 | 0.009 | 56.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 547 | HOH | 0 | -0.022 | -0.025 | 55.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 548 | HOH | 0 | -0.002 | -0.014 | 20.534 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 549 | HOH | 0 | -0.003 | -0.014 | 46.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 551 | HOH | 0 | -0.016 | -0.013 | 49.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 556 | HOH | 0 | -0.036 | -0.024 | 73.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 558 | HOH | 0 | -0.009 | -0.010 | 48.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 560 | HOH | 0 | -0.026 | -0.014 | 41.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 561 | HOH | 0 | 0.020 | 0.016 | 43.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 563 | HOH | 0 | 0.002 | 0.002 | 24.708 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 566 | HOH | 0 | 0.005 | 0.017 | 56.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 567 | HOH | 0 | -0.015 | -0.016 | 67.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 568 | HOH | 0 | -0.004 | 0.001 | 59.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 569 | HOH | 0 | 0.001 | 0.012 | 48.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 570 | HOH | 0 | 0.001 | -0.015 | 13.018 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 571 | HOH | 0 | -0.056 | -0.039 | 67.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 572 | HOH | 0 | -0.029 | -0.023 | 69.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 574 | HOH | 0 | -0.017 | -0.014 | 54.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 578 | HOH | 0 | 0.048 | 0.033 | 73.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 582 | HOH | 0 | 0.015 | 0.017 | 59.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 583 | HOH | 0 | 0.001 | -0.003 | 54.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 584 | HOH | 0 | -0.003 | -0.018 | 53.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 585 | HOH | 0 | 0.043 | 0.023 | 46.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 586 | HOH | 0 | 0.024 | 0.034 | 55.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 587 | HOH | 0 | -0.038 | -0.033 | 28.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 589 | HOH | 0 | 0.014 | 0.014 | 33.731 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 594 | HOH | 0 | -0.039 | -0.045 | 30.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 596 | HOH | 0 | 0.033 | 0.024 | 35.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 598 | HOH | 0 | -0.044 | -0.043 | 21.752 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 599 | HOH | 0 | -0.050 | -0.038 | 44.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 601 | HOH | 0 | 0.025 | 0.008 | 69.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 602 | HOH | 0 | 0.007 | 0.011 | 42.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 603 | HOH | 0 | 0.006 | 0.001 | 24.599 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 604 | HOH | 0 | 0.003 | 0.001 | 67.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 607 | HOH | 0 | 0.008 | 0.016 | 45.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 608 | HOH | 0 | -0.025 | -0.028 | 71.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 609 | HOH | 0 | -0.035 | -0.029 | 34.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 612 | HOH | 0 | -0.038 | -0.026 | 56.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 613 | HOH | 0 | -0.040 | -0.030 | 33.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 619 | HOH | 0 | -0.058 | -0.038 | 75.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 620 | HOH | 0 | 0.006 | 0.002 | 31.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 622 | HOH | 0 | -0.052 | -0.029 | 39.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 623 | HOH | 0 | 0.002 | -0.002 | 51.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 624 | HOH | 0 | -0.042 | -0.032 | 31.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 626 | HOH | 0 | 0.030 | 0.017 | 67.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 627 | HOH | 0 | 0.010 | 0.007 | 22.487 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 629 | HOH | 0 | -0.001 | -0.008 | 43.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 632 | HOH | 0 | -0.022 | -0.026 | 66.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 633 | HOH | 0 | -0.057 | -0.033 | 61.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 634 | HOH | 0 | 0.001 | 0.006 | 58.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 635 | HOH | 0 | 0.003 | 0.010 | 53.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 637 | HOH | 0 | -0.002 | -0.014 | 58.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 639 | HOH | 0 | -0.014 | -0.005 | 34.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 642 | HOH | 0 | -0.032 | -0.019 | 66.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 644 | HOH | 0 | -0.015 | -0.011 | 39.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 646 | HOH | 0 | 0.020 | 0.014 | 35.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 647 | HOH | 0 | -0.038 | -0.022 | 56.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 649 | HOH | 0 | -0.033 | -0.032 | 10.933 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 650 | HOH | 0 | -0.022 | -0.066 | 73.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 653 | HOH | 0 | -0.016 | -0.030 | 44.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 657 | HOH | 0 | -0.043 | -0.035 | 61.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 659 | HOH | 0 | -0.032 | -0.017 | 42.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 660 | HOH | 0 | -0.008 | -0.010 | 23.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 663 | HOH | 0 | 0.004 | 0.006 | 58.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 666 | HOH | 0 | 0.028 | 0.022 | 43.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 668 | HOH | 0 | -0.034 | -0.023 | 39.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 673 | HOH | 0 | 0.005 | 0.007 | 70.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 676 | HOH | 0 | -0.016 | -0.017 | 41.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 677 | HOH | 0 | -0.026 | -0.061 | 28.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 679 | HOH | 0 | -0.030 | -0.021 | 30.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 683 | HOH | 0 | -0.022 | -0.029 | 58.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 684 | HOH | 0 | -0.062 | -0.046 | 61.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 685 | HOH | 0 | -0.069 | -0.065 | 72.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 686 | HOH | 0 | -0.041 | -0.023 | 19.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 687 | HOH | 0 | -0.039 | -0.023 | 69.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 689 | HOH | 0 | 0.028 | 0.032 | 20.682 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 691 | HOH | 0 | 0.008 | -0.003 | 52.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 692 | HOH | 0 | 0.000 | 0.003 | 52.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 693 | HOH | 0 | 0.000 | -0.001 | 70.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 694 | HOH | 0 | 0.035 | 0.017 | 65.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 697 | HOH | 0 | -0.011 | -0.012 | 49.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 698 | HOH | 0 | -0.020 | -0.008 | 54.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 699 | HOH | 0 | -0.028 | -0.017 | 54.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 701 | HOH | 0 | -0.024 | -0.017 | 72.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 702 | HOH | 0 | 0.019 | 0.029 | 44.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 705 | HOH | 0 | -0.027 | -0.017 | 56.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 706 | HOH | 0 | 0.024 | 0.014 | 33.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 707 | HOH | 0 | -0.016 | -0.024 | 69.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 708 | HOH | 0 | 0.001 | -0.005 | 41.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 709 | HOH | 0 | -0.033 | -0.038 | 60.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 711 | HOH | 0 | -0.020 | -0.018 | 41.927 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 712 | HOH | 0 | -0.012 | -0.008 | 47.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 714 | HOH | 0 | -0.032 | -0.017 | 23.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 715 | HOH | 0 | 0.029 | 0.016 | 31.799 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 717 | HOH | 0 | -0.050 | -0.039 | 29.683 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 720 | HOH | 0 | -0.039 | -0.034 | 63.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 721 | HOH | 0 | 0.050 | 0.050 | 47.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 723 | HOH | 0 | -0.091 | -0.061 | 50.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 724 | HOH | 0 | 0.003 | 0.007 | 62.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 725 | HOH | 0 | 0.035 | 0.033 | 61.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 726 | HOH | 0 | -0.038 | -0.038 | 65.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 728 | HOH | 0 | -0.049 | -0.038 | 56.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 729 | HOH | 0 | -0.037 | -0.029 | 54.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 730 | HOH | 0 | -0.013 | -0.016 | 66.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 731 | HOH | 0 | 0.002 | -0.003 | 43.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 736 | HOH | 0 | -0.018 | -0.001 | 52.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 738 | HOH | 0 | -0.065 | -0.054 | 60.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 740 | HOH | 0 | -0.044 | -0.039 | 69.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 742 | HOH | 0 | -0.034 | -0.026 | 69.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 745 | HOH | 0 | -0.027 | -0.027 | 76.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 748 | HOH | 0 | -0.006 | 0.003 | 22.175 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 749 | HOH | 0 | 0.046 | 0.034 | 25.642 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 750 | HOH | 0 | -0.036 | -0.041 | 29.255 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 751 | HOH | 0 | 0.006 | 0.018 | 19.195 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 752 | HOH | 0 | -0.062 | -0.059 | 26.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 754 | HOH | 0 | -0.019 | -0.013 | 45.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 755 | HOH | 0 | -0.030 | -0.017 | 34.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 757 | HOH | 0 | 0.037 | 0.025 | 32.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 758 | HOH | 0 | 0.025 | 0.012 | 20.264 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 759 | HOH | 0 | -0.064 | -0.056 | 30.098 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 760 | HOH | 0 | -0.036 | -0.031 | 33.406 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 761 | HOH | 0 | -0.056 | -0.039 | 33.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 762 | HOH | 0 | 0.002 | -0.015 | 21.888 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 763 | HOH | 0 | -0.039 | -0.039 | 26.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 765 | HOH | 0 | -0.027 | -0.037 | 44.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 768 | HOH | 0 | -0.064 | -0.037 | 46.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 770 | HOH | 0 | -0.023 | -0.030 | 31.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 771 | HOH | 0 | 0.002 | -0.002 | 38.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 774 | HOH | 0 | 0.009 | -0.002 | 33.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 775 | HOH | 0 | -0.004 | -0.007 | 35.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 777 | HOH | 0 | -0.021 | -0.030 | 48.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 780 | HOH | 0 | 0.004 | 0.000 | 21.588 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 781 | HOH | 0 | 0.019 | 0.033 | 16.096 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 782 | HOH | 0 | 0.017 | 0.025 | 25.291 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 783 | HOH | 0 | -0.027 | -0.012 | 41.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 784 | HOH | 0 | -0.042 | -0.035 | 61.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 785 | HOH | 0 | 0.034 | 0.028 | 59.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 787 | HOH | 0 | 0.034 | 0.030 | 58.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 788 | HOH | 0 | 0.034 | 0.023 | 51.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 791 | HOH | 0 | 0.016 | 0.005 | 53.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 792 | HOH | 0 | -0.012 | 0.004 | 45.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 793 | HOH | 0 | -0.035 | -0.027 | 54.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 794 | HOH | 0 | 0.001 | -0.006 | 44.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 797 | HOH | 0 | 0.030 | 0.019 | 52.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 798 | HOH | 0 | -0.041 | -0.025 | 68.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 799 | HOH | 0 | 0.016 | -0.001 | 73.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 800 | HOH | 0 | -0.013 | -0.016 | 79.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 801 | HOH | 0 | -0.027 | -0.024 | 81.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 802 | HOH | 0 | -0.042 | -0.034 | 81.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 803 | HOH | 0 | 0.033 | 0.029 | 79.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 804 | HOH | 0 | 0.014 | 0.013 | 77.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 805 | HOH | 0 | -0.020 | -0.019 | 59.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 806 | HOH | 0 | -0.046 | -0.038 | 56.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 809 | HOH | 0 | -0.059 | -0.035 | 73.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 812 | HOH | 0 | -0.043 | -0.035 | 57.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |