![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: P37LL
Calculation Name: 3VC5-A-Xray34
Preferred Name:
Target Type:
Ligand Name: phosphate ion
ligand 3-letter code: PO4
PDB ID: 3VC5
Chain ID: A
UniProt ID: D6Y7Y6
Base Structure: X-ray
Registration Date: 2018-09-07
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 | 702 |
LigandCharge | PO4=-3 |
Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
FMO2-HF: Electronic energy | -9197984.497048 |
---|---|
FMO2-HF: Nuclear repulsion | 9017052.512878 |
FMO2-HF: Total energy | -180931.98417 |
FMO2-MP2: Total energy | -181452.807808 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F002252/ligand_interaction/ligand_F002252.png)
Ligand Interaction
![ligand interaction](./Kdata/F002252/ligand_interaction/ligand_interaction_F002252.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:0:ACE)
Summations of interaction energy for
fragment #1(A:0: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. |
0.154 | 1.022 | -0.002 | -0.346 | -0.521 | 0 |
Interaction energy analysis for fragmet #1(A:0: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 | 2 | LEU | 0 | -0.024 | 0.008 | 3.647 | 1.241 | 2.068 | -0.002 | -0.313 | -0.512 | 0.000 |
4 | A | 3 | ILE | 0 | 0.012 | 0.007 | 5.722 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 4 | ARG | 1 | 0.934 | 0.993 | 9.381 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 5 | GLU | -1 | -0.876 | -0.923 | 11.022 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 6 | VAL | 0 | -0.021 | -0.012 | 14.347 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 7 | ARG | 1 | 0.836 | 0.936 | 16.781 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 8 | VAL | 0 | 0.014 | -0.008 | 20.088 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 9 | THR | 0 | 0.033 | 0.002 | 23.061 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 10 | PRO | 0 | -0.020 | 0.019 | 26.264 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 11 | VAL | 0 | 0.040 | 0.011 | 29.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 12 | ALA | 0 | 0.013 | 0.005 | 31.725 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 13 | PHE | 0 | 0.000 | -0.003 | 32.518 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 14 | ARG | 1 | 0.947 | 0.977 | 36.978 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 15 | ASP | -1 | -0.699 | -0.816 | 39.817 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 16 | PRO | 0 | 0.027 | 0.026 | 41.687 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 17 | PRO | 0 | -0.046 | 0.005 | 44.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 18 | LEU | 0 | -0.021 | -0.017 | 42.358 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 19 | LEU | 0 | 0.010 | 0.009 | 46.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 20 | ASN | 0 | -0.014 | -0.035 | 43.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 21 | ALA | 0 | 0.053 | 0.020 | 47.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 22 | ALA | 0 | -0.031 | -0.016 | 44.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 23 | GLY | 0 | 0.036 | 0.016 | 47.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 24 | VAL | 0 | -0.026 | -0.007 | 47.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 25 | HIS | 1 | 0.751 | 0.863 | 40.378 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 26 | GLN | 0 | 0.083 | 0.020 | 42.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 27 | PRO | 0 | -0.010 | -0.003 | 43.076 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 28 | TRP | 0 | -0.025 | -0.007 | 38.910 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 29 | ALA | 0 | 0.023 | 0.039 | 36.579 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 30 | LEU | 0 | -0.017 | -0.006 | 34.034 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 31 | ARG | 1 | 0.776 | 0.881 | 28.926 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 32 | THR | 0 | -0.023 | -0.024 | 25.189 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 33 | ILE | 0 | -0.018 | -0.005 | 23.312 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 34 | VAL | 0 | 0.003 | -0.006 | 18.680 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 35 | GLU | -1 | -0.711 | -0.824 | 17.319 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 36 | VAL | 0 | -0.041 | -0.005 | 12.178 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 37 | VAL | 0 | 0.033 | 0.013 | 12.478 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 38 | THR | 0 | 0.038 | 0.017 | 7.180 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 39 | ASP | -1 | -0.843 | -0.942 | 5.951 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 40 | GLU | -1 | -0.974 | -0.987 | 5.858 | -1.141 | -1.141 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 41 | GLY | 0 | -0.076 | -0.035 | 8.826 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 42 | ILE | 0 | 0.005 | 0.014 | 9.055 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 43 | THR | 0 | -0.018 | -0.027 | 11.716 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 44 | GLY | 0 | -0.004 | 0.014 | 14.356 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 45 | LEU | 0 | -0.032 | -0.022 | 15.668 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 46 | GLY | 0 | 0.033 | 0.014 | 19.250 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 47 | GLU | -1 | -0.759 | -0.861 | 21.089 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 48 | THR | 0 | -0.006 | -0.012 | 24.790 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 49 | TYR | 0 | 0.019 | -0.003 | 26.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 50 | GLY | 0 | -0.007 | 0.003 | 29.287 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 51 | ASP | -1 | -0.750 | -0.823 | 31.694 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 52 | LEU | 0 | 0.042 | 0.031 | 32.291 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 53 | ALA | 0 | 0.024 | 0.008 | 32.110 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 54 | HIS | 0 | 0.032 | 0.007 | 26.830 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 55 | LEU | 0 | 0.015 | 0.013 | 27.394 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 56 | GLU | -1 | -0.929 | -0.972 | 27.315 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 57 | GLN | 0 | 0.004 | 0.038 | 26.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 58 | VAL | 0 | -0.010 | 0.005 | 22.742 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 59 | ARG | 1 | 0.877 | 0.909 | 22.509 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 60 | ALA | 0 | 0.023 | 0.023 | 22.571 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 61 | ALA | 0 | 0.021 | -0.006 | 20.530 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 62 | ALA | 0 | 0.007 | 0.008 | 18.403 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 63 | ALA | 0 | 0.000 | 0.009 | 17.504 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 64 | ARG | 1 | 0.877 | 0.936 | 17.732 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 65 | LEU | 0 | 0.012 | 0.011 | 13.925 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 66 | PRO | 0 | 0.004 | 0.027 | 11.885 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 67 | GLY | 0 | 0.031 | 0.027 | 9.115 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 68 | LEU | 0 | -0.049 | -0.016 | 8.708 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 69 | ASP | -1 | -0.803 | -0.907 | 4.067 | -0.448 | -0.407 | 0.000 | -0.033 | -0.009 | 0.000 |
71 | A | 70 | VAL | 0 | 0.048 | 0.020 | 6.859 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 71 | TYR | 0 | 0.035 | 0.034 | 5.929 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 72 | ALA | 0 | -0.066 | -0.020 | 9.002 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 73 | LEU | 0 | 0.069 | 0.021 | 10.576 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 74 | HIS | 0 | 0.053 | 0.038 | 13.918 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 75 | ARG | 1 | 0.917 | 0.945 | 10.770 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 76 | ILE | 0 | 0.060 | 0.028 | 11.361 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 77 | TYR | 0 | -0.045 | -0.028 | 15.174 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 78 | ARG | 1 | 0.881 | 0.925 | 15.818 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 79 | ARG | 1 | 0.798 | 0.890 | 14.800 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 80 | VAL | 0 | 0.039 | 0.012 | 18.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 81 | ALA | 0 | 0.001 | 0.001 | 20.940 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | ASP | -1 | -0.821 | -0.882 | 21.394 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 83 | VAL | 0 | -0.074 | -0.030 | 21.337 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 84 | VAL | 0 | 0.006 | 0.023 | 24.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 85 | GLY | 0 | 0.044 | 0.034 | 26.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 86 | ALA | 0 | 0.005 | -0.066 | 28.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 87 | ASN | 0 | 0.024 | 0.060 | 29.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 88 | ILE | 0 | -0.029 | -0.019 | 31.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 89 | VAL | 0 | -0.007 | 0.007 | 30.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 90 | THR | 0 | 0.024 | 0.011 | 33.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 91 | ASP | -1 | -0.779 | -0.865 | 36.224 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 92 | MET | 0 | -0.019 | -0.018 | 38.000 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 93 | HIS | 0 | 0.035 | 0.041 | 37.232 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 94 | GLY | 0 | -0.050 | -0.022 | 40.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 95 | LEU | 0 | -0.016 | -0.012 | 40.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 96 | THR | 0 | 0.003 | 0.004 | 34.914 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 97 | GLY | 0 | 0.072 | 0.034 | 36.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 98 | SER | 0 | -0.042 | -0.025 | 38.315 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 99 | SER | 0 | 0.023 | 0.020 | 35.159 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 100 | SER | 0 | -0.032 | -0.029 | 33.333 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 101 | ARG | 1 | 0.898 | 0.989 | 29.401 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 102 | VAL | 0 | -0.006 | -0.004 | 27.588 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 103 | LYS | 1 | 0.898 | 0.985 | 28.018 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 104 | THR | 0 | -0.005 | -0.012 | 28.610 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 105 | VAL | 0 | 0.001 | -0.006 | 23.636 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 106 | ASP | -1 | -0.752 | -0.833 | 24.187 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 107 | ARG | 1 | 0.879 | 0.939 | 24.521 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 108 | VAL | 0 | -0.032 | -0.005 | 22.533 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 109 | PHE | 0 | -0.027 | -0.007 | 16.801 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 110 | ALA | 0 | 0.016 | 0.019 | 19.875 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 111 | ALA | 0 | -0.018 | -0.029 | 20.798 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 112 | PHE | 0 | -0.023 | -0.023 | 16.435 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 113 | GLU | -1 | -0.770 | -0.849 | 16.062 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 114 | VAL | 0 | 0.034 | 0.020 | 16.377 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 115 | ALA | 0 | 0.010 | 0.021 | 16.165 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 116 | CYS | 0 | -0.043 | -0.033 | 12.159 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 117 | LEU | 0 | 0.019 | 0.013 | 12.425 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 118 | ASP | -1 | -0.718 | -0.827 | 14.765 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 119 | ILE | 0 | 0.003 | -0.002 | 9.533 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 120 | GLN | 0 | 0.000 | 0.007 | 9.777 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 121 | GLY | 0 | 0.054 | 0.037 | 11.335 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 122 | LYS | 1 | 0.792 | 0.881 | 13.024 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 123 | ALA | 0 | -0.025 | 0.004 | 8.800 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 124 | ALA | 0 | -0.010 | 0.000 | 10.825 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 125 | GLY | 0 | -0.031 | -0.011 | 13.142 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 126 | ARG | 1 | 0.801 | 0.889 | 16.065 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 127 | PRO | 0 | 0.050 | 0.052 | 17.478 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 128 | VAL | 0 | 0.028 | -0.006 | 17.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 129 | ALA | 0 | 0.019 | 0.009 | 19.090 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 130 | ASP | -1 | -0.719 | -0.841 | 19.234 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 131 | LEU | 0 | -0.106 | -0.044 | 14.394 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 132 | LEU | 0 | -0.073 | -0.031 | 17.763 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 133 | GLY | 0 | 0.004 | 0.009 | 20.877 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 134 | GLY | 0 | -0.018 | 0.007 | 22.618 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 135 | LYS | 1 | 0.914 | 0.959 | 24.048 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 136 | VAL | 0 | -0.010 | -0.003 | 26.983 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 137 | ARG | 1 | 0.834 | 0.930 | 30.244 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 138 | ASP | -1 | -0.850 | -0.920 | 30.494 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 139 | ALA | 0 | 0.011 | 0.019 | 31.361 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 140 | VAL | 0 | 0.005 | 0.018 | 30.102 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 141 | PRO | 0 | 0.005 | 0.007 | 33.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 142 | TYR | 0 | 0.009 | -0.009 | 30.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 143 | SER | 0 | 0.011 | 0.021 | 37.555 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 144 | ALA | 0 | 0.017 | 0.012 | 40.331 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 145 | TYR | 0 | -0.033 | -0.041 | 38.922 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 146 | LEU | 0 | 0.035 | 0.018 | 42.764 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 147 | PHE | 0 | -0.031 | -0.016 | 41.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 148 | TYR | 0 | 0.029 | 0.000 | 47.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 149 | LYS | 1 | 0.798 | 0.889 | 47.724 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 150 | TRP | 0 | 0.029 | 0.021 | 50.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 151 | ALA | 0 | 0.022 | 0.009 | 51.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 152 | GLY | 0 | 0.083 | 0.032 | 50.419 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 153 | HIS | 0 | -0.050 | 0.004 | 45.389 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 154 | PRO | 0 | 0.054 | 0.044 | 50.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 155 | GLY | 0 | -0.011 | -0.002 | 52.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 156 | LYS | 1 | 0.875 | 0.943 | 47.142 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 157 | PRO | 0 | 0.006 | 0.005 | 49.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 158 | GLU | -1 | -0.890 | -0.939 | 50.526 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 159 | ASP | -1 | -0.786 | -0.870 | 47.459 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 160 | ARG | 1 | 0.799 | 0.860 | 43.746 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 161 | PHE | 0 | -0.027 | -0.008 | 43.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 162 | GLY | 0 | 0.064 | 0.051 | 49.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 163 | PRO | 0 | -0.033 | -0.015 | 51.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 164 | ALA | 0 | -0.013 | -0.005 | 51.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 165 | LEU | 0 | -0.021 | -0.022 | 53.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 166 | ASP | -1 | -0.840 | -0.911 | 56.173 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 167 | PRO | 0 | 0.061 | 0.031 | 56.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 168 | ASP | -1 | -0.798 | -0.844 | 56.611 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 169 | GLY | 0 | -0.006 | 0.013 | 56.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 170 | ILE | 0 | 0.038 | 0.017 | 50.868 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 171 | VAL | 0 | -0.001 | 0.005 | 52.069 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 172 | ALA | 0 | -0.011 | -0.005 | 53.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 173 | GLN | 0 | 0.064 | 0.018 | 47.982 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 174 | ALA | 0 | 0.008 | 0.004 | 48.628 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 175 | ARG | 1 | 0.854 | 0.917 | 48.902 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 176 | LEU | 0 | 0.004 | 0.033 | 47.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 177 | LEU | 0 | 0.051 | 0.011 | 43.942 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 178 | ILE | 0 | -0.018 | -0.009 | 44.779 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 179 | GLY | 0 | -0.030 | -0.002 | 46.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 180 | GLU | -1 | -0.806 | -0.849 | 43.857 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 181 | TYR | 0 | 0.005 | -0.009 | 38.345 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 182 | GLY | 0 | 0.014 | 0.013 | 41.291 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 183 | PHE | 0 | -0.036 | -0.016 | 38.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 184 | ARG | 1 | 0.960 | 0.976 | 42.515 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 185 | SER | 0 | 0.044 | 0.008 | 42.159 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 186 | ILE | 0 | -0.014 | -0.001 | 44.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 187 | LYS | 1 | 0.694 | 0.859 | 40.370 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 188 | LEU | 0 | 0.004 | 0.016 | 45.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 189 | LYS | 1 | 0.741 | 0.870 | 41.684 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 190 | GLY | 0 | 0.046 | 0.023 | 46.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 191 | GLY | 0 | -0.044 | -0.036 | 48.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 192 | VAL | 0 | -0.092 | -0.020 | 50.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 193 | PHE | 0 | 0.027 | 0.002 | 52.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 194 | PRO | 0 | 0.038 | 0.032 | 55.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 195 | PRO | 0 | 0.059 | 0.022 | 55.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 196 | GLU | -1 | -0.906 | -0.946 | 56.998 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 197 | GLN | 0 | 0.044 | 0.007 | 58.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 198 | GLU | -1 | -0.709 | -0.827 | 52.765 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 199 | ALA | 0 | -0.003 | -0.010 | 54.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 200 | GLU | -1 | -0.927 | -0.958 | 56.679 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 201 | ALA | 0 | 0.008 | 0.009 | 54.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 202 | ILE | 0 | -0.018 | -0.010 | 50.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 203 | GLN | 0 | 0.022 | -0.003 | 54.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 204 | ALA | 0 | 0.030 | 0.038 | 56.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 205 | LEU | 0 | -0.028 | -0.014 | 50.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 206 | ARG | 1 | 0.798 | 0.903 | 50.853 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 207 | ASP | -1 | -0.891 | -0.942 | 54.996 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 208 | ALA | 0 | -0.047 | -0.002 | 55.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 209 | PHE | 0 | -0.027 | 0.001 | 51.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 210 | PRO | 0 | 0.054 | 0.022 | 52.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 211 | GLY | 0 | -0.040 | -0.019 | 51.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 212 | LEU | 0 | -0.023 | -0.002 | 47.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 213 | PRO | 0 | 0.000 | 0.015 | 44.953 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 214 | LEU | 0 | 0.005 | 0.011 | 46.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 215 | ARG | 1 | 0.781 | 0.883 | 39.400 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 216 | LEU | 0 | 0.060 | 0.023 | 46.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 217 | ASP | -1 | -0.748 | -0.880 | 42.999 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 218 | PRO | 0 | 0.012 | 0.016 | 46.289 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 219 | ASN | 0 | 0.060 | 0.030 | 42.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 220 | ALA | 0 | -0.010 | -0.013 | 45.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 221 | ALA | 0 | 0.033 | 0.021 | 47.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 222 | TRP | 0 | 0.009 | 0.003 | 50.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 223 | THR | 0 | 0.010 | 0.025 | 52.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 224 | VAL | 0 | 0.017 | 0.000 | 53.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 225 | GLU | -1 | -0.968 | -0.980 | 55.153 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 226 | THR | 0 | 0.015 | -0.018 | 56.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 227 | SER | 0 | 0.006 | -0.010 | 52.802 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 228 | ILE | 0 | -0.005 | 0.007 | 54.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 229 | ARG | 1 | 0.914 | 0.973 | 56.681 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 230 | VAL | 0 | 0.033 | 0.022 | 54.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 231 | GLY | 0 | 0.045 | 0.011 | 54.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 232 | ARG | 1 | 0.876 | 0.923 | 54.963 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 233 | ALA | 0 | -0.012 | -0.001 | 58.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 234 | LEU | 0 | -0.025 | 0.002 | 53.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 235 | ASP | -1 | -0.902 | -0.962 | 55.035 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 236 | GLY | 0 | 0.025 | 0.019 | 54.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 237 | VAL | 0 | -0.037 | -0.009 | 53.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 238 | LEU | 0 | 0.007 | 0.018 | 49.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 239 | GLU | -1 | -0.754 | -0.831 | 42.752 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 240 | TYR | 0 | -0.032 | -0.043 | 40.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 241 | LEU | 0 | -0.006 | 0.012 | 46.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 242 | GLU | -1 | -0.731 | -0.873 | 41.349 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 243 | ASP | -1 | -0.685 | -0.803 | 42.120 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 244 | PRO | 0 | 0.069 | 0.043 | 45.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 245 | THR | 0 | -0.044 | -0.023 | 48.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 246 | PRO | 0 | 0.008 | 0.007 | 46.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 247 | GLY | 0 | -0.002 | 0.001 | 45.528 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 248 | ILE | 0 | 0.064 | 0.017 | 41.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 249 | ASP | -1 | -0.776 | -0.868 | 45.557 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 250 | GLY | 0 | 0.012 | 0.004 | 49.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 251 | MET | 0 | -0.022 | 0.001 | 44.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 252 | ALA | 0 | -0.017 | 0.005 | 47.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 253 | ARG | 1 | 0.877 | 0.926 | 49.151 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 254 | VAL | 0 | 0.035 | 0.020 | 50.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 255 | ALA | 0 | -0.008 | 0.007 | 48.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 256 | ALA | 0 | -0.027 | 0.003 | 50.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 257 | GLU | -1 | -0.896 | -0.948 | 53.229 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 258 | VAL | 0 | -0.087 | -0.027 | 51.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 259 | PRO | 0 | 0.039 | 0.029 | 53.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 260 | MET | 0 | -0.026 | 0.022 | 49.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 261 | PRO | 0 | 0.039 | 0.020 | 45.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 262 | LEU | 0 | -0.001 | 0.009 | 46.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 263 | ALA | 0 | 0.034 | 0.007 | 41.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 264 | THR | 0 | -0.039 | -0.057 | 39.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 265 | ASN | 0 | 0.001 | 0.005 | 36.800 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 266 | MET | 0 | -0.074 | -0.004 | 38.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 267 | CYS | 0 | -0.063 | -0.022 | 40.006 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 268 | VAL | 0 | 0.048 | 0.019 | 35.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 269 | VAL | 0 | -0.067 | -0.032 | 34.504 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 270 | THR | 0 | 0.025 | 0.001 | 30.651 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 271 | PRO | 0 | 0.035 | 0.008 | 28.613 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 272 | GLU | -1 | -0.899 | -0.929 | 31.980 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 273 | HIS | 0 | 0.008 | 0.012 | 34.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 274 | LEU | 0 | -0.002 | 0.002 | 32.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 275 | PRO | 0 | 0.000 | 0.011 | 35.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 276 | ALA | 0 | 0.083 | 0.032 | 38.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 277 | ALA | 0 | -0.013 | -0.006 | 39.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 278 | VAL | 0 | -0.024 | -0.016 | 38.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 279 | GLU | -1 | -0.927 | -0.942 | 41.598 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 280 | ARG | 1 | 0.792 | 0.868 | 44.679 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 281 | ARG | 1 | 0.833 | 0.905 | 41.753 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 282 | PRO | 0 | -0.005 | 0.008 | 42.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 283 | ILE | 0 | -0.015 | -0.013 | 39.169 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 284 | GLY | 0 | 0.073 | 0.048 | 43.207 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 285 | VAL | 0 | -0.046 | -0.014 | 39.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 286 | LEU | 0 | -0.005 | 0.004 | 33.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 287 | LEU | 0 | -0.023 | -0.008 | 35.878 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 288 | ILE | 0 | 0.000 | 0.003 | 29.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 289 | ASP | -1 | -0.665 | -0.807 | 29.932 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 290 | HIS | 0 | 0.063 | 0.020 | 23.918 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 291 | HIS | 1 | 0.756 | 0.883 | 25.567 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 292 | TYR | 0 | 0.011 | -0.015 | 27.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 293 | TRP | 0 | -0.005 | 0.009 | 27.882 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 294 | GLY | 0 | -0.007 | 0.013 | 24.110 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 295 | GLY | 0 | 0.031 | 0.002 | 21.328 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 296 | LEU | 0 | 0.006 | -0.013 | 20.347 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 297 | VAL | 0 | 0.053 | 0.031 | 17.748 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 298 | ARG | 1 | 0.793 | 0.886 | 21.076 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 299 | SER | 0 | 0.006 | -0.005 | 23.528 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 300 | ALA | 0 | 0.055 | 0.038 | 23.675 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 301 | HIS | 0 | -0.053 | -0.031 | 21.322 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 302 | ILE | 0 | 0.023 | 0.008 | 26.247 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 303 | ALA | 0 | 0.039 | 0.032 | 28.852 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 304 | THR | 0 | -0.046 | -0.019 | 28.627 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 305 | LEU | 0 | -0.014 | 0.012 | 30.625 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 306 | CYS | 0 | -0.020 | -0.022 | 32.447 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 307 | ALA | 0 | 0.035 | 0.023 | 33.981 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 308 | THR | 0 | -0.020 | 0.008 | 33.638 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 309 | PHE | 0 | -0.065 | -0.014 | 35.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 310 | GLY | 0 | 0.080 | 0.044 | 38.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 311 | ILE | 0 | -0.054 | -0.002 | 37.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 312 | GLU | -1 | -0.809 | -0.871 | 37.358 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 313 | LEU | 0 | 0.001 | -0.007 | 31.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 314 | SER | 0 | 0.023 | 0.014 | 35.851 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 315 | MET | 0 | -0.047 | -0.005 | 29.338 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 316 | HIS | 1 | 0.813 | 0.907 | 33.738 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 317 | SER | 0 | -0.028 | 0.008 | 33.177 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 318 | ASN | 0 | -0.026 | -0.021 | 33.424 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 319 | SER | 0 | -0.004 | -0.022 | 33.977 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 320 | HIS | 0 | -0.077 | -0.021 | 30.522 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 321 | LEU | 0 | 0.012 | 0.014 | 29.276 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 322 | GLY | 0 | 0.100 | 0.036 | 28.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 323 | ILE | 0 | -0.023 | 0.002 | 22.613 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 324 | SER | 0 | 0.012 | 0.002 | 24.878 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 325 | LEU | 0 | 0.015 | 0.032 | 26.892 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 326 | ALA | 0 | 0.032 | 0.023 | 24.243 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 327 | ALA | 0 | -0.022 | -0.016 | 23.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 328 | MET | 0 | -0.058 | -0.027 | 24.234 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 329 | THR | 0 | 0.014 | 0.010 | 27.536 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 330 | HIS | 0 | 0.024 | 0.008 | 22.718 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 331 | LEU | 0 | -0.021 | -0.002 | 24.545 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 332 | ALA | 0 | 0.006 | 0.001 | 25.506 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 333 | ALA | 0 | 0.019 | 0.009 | 27.009 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 334 | ALA | 0 | 0.016 | 0.021 | 24.361 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 335 | THR | 0 | -0.029 | -0.015 | 26.263 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 336 | PRO | 0 | -0.002 | -0.002 | 28.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 337 | ALA | 0 | 0.042 | 0.011 | 31.418 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 338 | ILE | 0 | -0.016 | 0.022 | 29.378 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 339 | THR | 0 | 0.009 | 0.001 | 33.261 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 340 | HIS | 1 | 0.801 | 0.887 | 36.523 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 341 | ALA | 0 | 0.019 | 0.018 | 36.615 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 342 | CYS | 0 | -0.023 | -0.007 | 32.143 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 343 | ASP | -1 | -0.691 | -0.829 | 35.737 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 344 | THR | 0 | -0.053 | -0.047 | 34.045 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 345 | HIS | 1 | 0.775 | 0.866 | 35.860 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 346 | THR | 0 | 0.049 | 0.023 | 34.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 347 | PRO | 0 | 0.030 | 0.035 | 36.670 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 348 | TRP | 0 | 0.005 | 0.020 | 40.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 349 | GLN | 0 | -0.051 | -0.021 | 35.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 350 | ASP | -1 | -0.805 | -0.848 | 38.642 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 351 | GLY | 0 | 0.027 | 0.022 | 36.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 352 | GLN | 0 | -0.063 | -0.014 | 35.658 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 353 | ASP | -1 | -0.651 | -0.832 | 29.951 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 354 | VAL | 0 | 0.008 | 0.000 | 26.733 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 355 | VAL | 0 | -0.037 | -0.001 | 25.067 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 356 | ALA | 0 | 0.028 | 0.017 | 26.971 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 357 | PRO | 0 | 0.029 | 0.009 | 28.904 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 358 | GLY | 0 | -0.039 | -0.011 | 30.827 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 359 | ALA | 0 | 0.003 | 0.023 | 26.937 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 360 | LEU | 0 | -0.040 | -0.011 | 27.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 361 | ARG | 1 | 0.943 | 0.968 | 30.794 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 362 | PHE | 0 | 0.006 | -0.012 | 34.331 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 363 | VAL | 0 | -0.013 | -0.005 | 36.693 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 364 | ASP | -1 | -0.824 | -0.855 | 38.884 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 365 | GLY | 0 | 0.009 | 0.029 | 40.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 366 | ALA | 0 | -0.016 | -0.026 | 35.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 367 | VAL | 0 | -0.010 | 0.011 | 30.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 368 | PRO | 0 | -0.024 | -0.010 | 31.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 369 | VAL | 0 | -0.003 | -0.004 | 25.580 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 370 | PRO | 0 | -0.030 | -0.001 | 24.613 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 371 | ASP | -1 | -0.896 | -0.957 | 25.085 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 372 | GLY | 0 | -0.009 | 0.012 | 22.449 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 373 | PRO | 0 | 0.008 | 0.006 | 16.864 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 374 | GLY | 0 | 0.017 | 0.003 | 16.962 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 375 | LEU | 0 | -0.031 | -0.045 | 17.650 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 376 | GLY | 0 | 0.022 | 0.044 | 20.504 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 377 | VAL | 0 | 0.000 | 0.005 | 21.840 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 378 | GLU | -1 | -0.953 | -0.981 | 21.622 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 379 | LEU | 0 | -0.027 | -0.022 | 22.042 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 380 | ASP | -1 | -0.727 | -0.801 | 23.872 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 381 | ARG | 1 | 0.860 | 0.875 | 19.604 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 382 | ASP | -1 | -0.767 | -0.839 | 26.714 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 383 | ALA | 0 | -0.004 | 0.012 | 29.999 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 384 | LEU | 0 | -0.025 | -0.017 | 24.883 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 385 | ALA | 0 | 0.011 | 0.006 | 28.977 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 386 | VAL | 0 | 0.026 | 0.025 | 30.869 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 387 | MET | 0 | -0.013 | 0.005 | 31.640 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 388 | HIS | 0 | -0.063 | -0.033 | 30.046 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 389 | GLU | -1 | -0.784 | -0.836 | 32.158 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 390 | GLN | 0 | -0.043 | -0.034 | 35.353 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 391 | TYR | 0 | -0.019 | -0.017 | 33.514 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 392 | GLU | -1 | -0.840 | -0.887 | 33.671 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 393 | ARG | 1 | 0.818 | 0.878 | 36.641 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 394 | CYS | 0 | -0.074 | -0.011 | 38.397 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 395 | GLY | 0 | -0.002 | -0.004 | 40.872 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 396 | ILE | 0 | -0.035 | -0.016 | 39.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 397 | ARG | 1 | 0.839 | 0.909 | 36.214 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 398 | THR | 0 | 0.014 | -0.005 | 36.401 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 399 | ARG | 1 | 0.708 | 0.839 | 37.709 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 400 | ASP | -1 | -0.720 | -0.858 | 39.522 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 401 | ASP | -1 | -0.713 | -0.804 | 42.637 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 402 | GLU | -1 | -0.768 | -0.852 | 45.049 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 403 | GLY | 0 | 0.016 | 0.006 | 46.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 404 | TYR | 0 | -0.032 | -0.041 | 46.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 405 | MET | 0 | 0.019 | 0.029 | 48.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 406 | ARG | 1 | 0.872 | 0.928 | 50.641 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 407 | SER | 0 | -0.092 | -0.019 | 51.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 408 | PHE | 0 | -0.047 | -0.032 | 50.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 409 | ASP | -1 | -0.775 | -0.887 | 55.243 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 410 | PRO | 0 | -0.011 | -0.009 | 55.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 411 | SER | 0 | -0.106 | -0.055 | 56.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 412 | PHE | 0 | -0.021 | 0.015 | 49.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 413 | SER | 0 | -0.020 | -0.017 | 52.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 414 | THR | 0 | 0.004 | -0.008 | 46.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 415 | ARG | 1 | 0.837 | 0.942 | 49.943 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 416 | ARG | 1 | 0.873 | 0.916 | 44.406 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 417 | GLY | 0 | -0.036 | -0.016 | 50.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 418 | PHE | 0 | -0.057 | -0.021 | 53.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 419 | TRP | -1 | -0.722 | -0.812 | 53.242 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 501 | PO4 | -3 | -2.165 | -2.504 | 39.757 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 601 | HOH | 0 | 0.018 | 0.002 | 31.024 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 602 | HOH | 0 | -0.007 | -0.010 | 31.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 603 | HOH | 0 | 0.029 | 0.017 | 34.925 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 604 | HOH | 0 | 0.015 | 0.002 | 30.688 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 605 | HOH | 0 | -0.011 | -0.002 | 25.553 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 606 | HOH | 0 | -0.021 | -0.012 | 38.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 608 | HOH | 0 | -0.022 | -0.034 | 33.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 609 | HOH | 0 | -0.011 | -0.009 | 39.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 610 | HOH | 0 | -0.023 | -0.016 | 37.988 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 611 | HOH | 0 | -0.012 | -0.016 | 23.422 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 612 | HOH | 0 | -0.010 | -0.025 | 28.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 613 | HOH | 0 | -0.039 | -0.040 | 19.782 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 614 | HOH | 0 | 0.016 | 0.002 | 31.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 615 | HOH | 0 | -0.004 | 0.001 | 38.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 616 | HOH | 0 | 0.007 | -0.006 | 34.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 617 | HOH | 0 | -0.045 | -0.029 | 25.980 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 618 | HOH | 0 | -0.017 | -0.025 | 37.791 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 619 | HOH | 0 | -0.020 | -0.029 | 28.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 620 | HOH | 0 | 0.006 | 0.000 | 38.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 621 | HOH | 0 | 0.003 | -0.010 | 45.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 622 | HOH | 0 | -0.022 | -0.007 | 40.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 623 | HOH | 0 | -0.012 | -0.007 | 28.840 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 624 | HOH | 0 | -0.036 | -0.038 | 50.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 625 | HOH | 0 | -0.044 | -0.056 | 42.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 626 | HOH | 0 | -0.016 | -0.016 | 53.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 627 | HOH | 0 | -0.008 | -0.005 | 48.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 628 | HOH | 0 | 0.005 | 0.007 | 32.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 629 | HOH | 0 | -0.046 | -0.043 | 40.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 630 | HOH | 0 | -0.019 | -0.015 | 37.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 631 | HOH | 0 | -0.011 | -0.004 | 35.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 632 | HOH | 0 | -0.024 | -0.020 | 25.265 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 633 | HOH | 0 | -0.035 | -0.029 | 33.666 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 634 | HOH | 0 | 0.050 | 0.025 | 37.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 635 | HOH | 0 | 0.001 | -0.001 | 21.141 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 636 | HOH | 0 | 0.023 | 0.020 | 39.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 637 | HOH | 0 | 0.003 | 0.003 | 46.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 638 | HOH | 0 | -0.045 | -0.033 | 37.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 639 | HOH | 0 | -0.002 | -0.003 | 37.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 640 | HOH | 0 | 0.009 | -0.011 | 46.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 641 | HOH | 0 | -0.037 | -0.027 | 28.471 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 642 | HOH | 0 | 0.044 | 0.033 | 38.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 643 | HOH | 0 | -0.024 | -0.019 | 38.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 644 | HOH | 0 | -0.024 | -0.030 | 46.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 645 | HOH | 0 | -0.039 | -0.047 | 36.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 646 | HOH | 0 | -0.007 | -0.009 | 39.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 647 | HOH | 0 | 0.016 | -0.001 | 43.385 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 648 | HOH | 0 | 0.008 | 0.005 | 20.156 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 649 | HOH | 0 | 0.059 | 0.054 | 36.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 650 | HOH | 0 | -0.021 | -0.023 | 39.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 651 | HOH | 0 | 0.000 | -0.003 | 44.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 652 | HOH | 0 | -0.011 | 0.004 | 22.073 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 653 | HOH | 0 | -0.032 | -0.030 | 24.502 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 654 | HOH | 0 | -0.033 | -0.024 | 41.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 655 | HOH | 0 | -0.011 | -0.018 | 36.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 656 | HOH | 0 | -0.010 | -0.004 | 35.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 657 | HOH | 0 | -0.003 | -0.021 | 18.409 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 658 | HOH | 0 | 0.025 | 0.018 | 34.796 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 659 | HOH | 0 | 0.018 | 0.011 | 25.944 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 660 | HOH | 0 | -0.001 | -0.013 | 21.555 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 661 | HOH | 0 | 0.020 | 0.015 | 46.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 662 | HOH | 0 | -0.060 | -0.033 | 40.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 663 | HOH | 0 | -0.031 | -0.026 | 32.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 664 | HOH | 0 | -0.040 | -0.025 | 28.985 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 665 | HOH | 0 | -0.014 | -0.019 | 39.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 667 | HOH | 0 | 0.009 | 0.002 | 41.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 668 | HOH | 0 | 0.006 | 0.002 | 40.246 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 669 | HOH | 0 | 0.024 | 0.015 | 49.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 670 | HOH | 0 | -0.022 | -0.024 | 42.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 671 | HOH | 0 | -0.036 | -0.037 | 34.531 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 672 | HOH | 0 | -0.040 | -0.029 | 39.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 673 | HOH | 0 | 0.035 | 0.008 | 36.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 674 | HOH | 0 | 0.034 | 0.021 | 54.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 675 | HOH | 0 | -0.038 | -0.028 | 27.522 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 676 | HOH | 0 | 0.046 | 0.024 | 32.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 677 | HOH | 0 | -0.019 | -0.009 | 51.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 678 | HOH | 0 | -0.006 | -0.009 | 49.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 679 | HOH | 0 | -0.034 | -0.044 | 41.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 680 | HOH | 0 | 0.025 | -0.001 | 26.471 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 681 | HOH | 0 | 0.006 | 0.006 | 41.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 682 | HOH | 0 | 0.003 | -0.021 | 32.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 684 | HOH | 0 | -0.018 | -0.010 | 31.534 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 685 | HOH | 0 | -0.038 | -0.027 | 53.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 686 | HOH | 0 | -0.022 | -0.010 | 39.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 687 | HOH | 0 | -0.009 | -0.011 | 49.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 688 | HOH | 0 | 0.014 | -0.004 | 42.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 689 | HOH | 0 | -0.030 | -0.033 | 32.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 690 | HOH | 0 | -0.021 | -0.021 | 24.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 691 | HOH | 0 | -0.009 | -0.003 | 35.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 693 | HOH | 0 | -0.003 | 0.009 | 44.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 694 | HOH | 0 | -0.011 | -0.021 | 49.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 695 | HOH | 0 | -0.025 | -0.014 | 18.915 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 696 | HOH | 0 | 0.018 | 0.015 | 21.633 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 697 | HOH | 0 | -0.029 | -0.028 | 27.001 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 698 | HOH | 0 | -0.044 | -0.027 | 38.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 699 | HOH | 0 | 0.006 | 0.007 | 33.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 700 | HOH | 0 | 0.001 | -0.006 | 22.773 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 701 | HOH | 0 | -0.005 | -0.004 | 18.795 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 702 | HOH | 0 | -0.026 | -0.023 | 25.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 703 | HOH | 0 | 0.004 | -0.013 | 36.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 704 | HOH | 0 | 0.003 | -0.008 | 30.223 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 705 | HOH | 0 | 0.047 | 0.032 | 57.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 706 | HOH | 0 | -0.023 | -0.017 | 46.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 707 | HOH | 0 | -0.043 | -0.045 | 9.811 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 708 | HOH | 0 | -0.041 | -0.061 | 36.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 711 | HOH | 0 | -0.013 | -0.014 | 57.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 712 | HOH | 0 | 0.028 | 0.029 | 38.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 713 | HOH | 0 | 0.004 | 0.002 | 46.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 714 | HOH | 0 | 0.002 | 0.028 | 16.518 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 715 | HOH | 0 | -0.017 | -0.011 | 48.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 716 | HOH | 0 | 0.038 | 0.027 | 61.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 717 | HOH | 0 | -0.037 | -0.032 | 44.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 719 | HOH | 0 | -0.035 | -0.027 | 55.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 720 | HOH | 0 | 0.017 | 0.008 | 27.122 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 722 | HOH | 0 | 0.008 | -0.001 | 39.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 723 | HOH | 0 | 0.022 | 0.010 | 26.702 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 724 | HOH | 0 | -0.006 | -0.005 | 18.916 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 725 | HOH | 0 | 0.011 | 0.005 | 29.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 726 | HOH | 0 | 0.012 | 0.006 | 57.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 728 | HOH | 0 | -0.011 | -0.012 | 11.748 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 729 | HOH | 0 | -0.019 | -0.014 | 52.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 730 | HOH | 0 | 0.020 | 0.015 | 45.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 732 | HOH | 0 | -0.016 | -0.020 | 52.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 733 | HOH | 0 | 0.040 | 0.026 | 56.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 734 | HOH | 0 | -0.043 | -0.034 | 22.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 735 | HOH | 0 | -0.031 | -0.032 | 29.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 736 | HOH | 0 | 0.035 | 0.024 | 44.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 738 | HOH | 0 | 0.044 | 0.027 | 54.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 739 | HOH | 0 | -0.011 | -0.015 | 60.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 740 | HOH | 0 | 0.011 | 0.016 | 19.648 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 741 | HOH | 0 | -0.017 | -0.001 | 43.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 742 | HOH | 0 | 0.020 | -0.001 | 41.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 743 | HOH | 0 | -0.048 | -0.032 | 48.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 744 | HOH | 0 | -0.032 | -0.022 | 53.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 745 | HOH | 0 | 0.021 | 0.013 | 27.315 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 747 | HOH | 0 | 0.003 | 0.006 | 51.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 748 | HOH | 0 | -0.005 | 0.011 | 22.703 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 749 | HOH | 0 | 0.037 | 0.023 | 22.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 750 | HOH | 0 | -0.036 | -0.026 | 50.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 753 | HOH | 0 | -0.066 | -0.041 | 26.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 755 | HOH | 0 | -0.015 | -0.046 | 33.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 759 | HOH | 0 | 0.001 | -0.001 | 35.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 761 | HOH | 0 | -0.017 | -0.016 | 34.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 762 | HOH | 0 | 0.024 | 0.018 | 47.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 764 | HOH | 0 | 0.002 | -0.006 | 19.159 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 766 | HOH | 0 | 0.004 | 0.003 | 19.473 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 769 | HOH | 0 | -0.020 | -0.023 | 51.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 771 | HOH | 0 | -0.028 | -0.024 | 60.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 772 | HOH | 0 | -0.009 | -0.006 | 37.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 774 | HOH | 0 | 0.038 | 0.022 | 39.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 775 | HOH | 0 | 0.024 | 0.010 | 19.812 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 776 | HOH | 0 | -0.023 | -0.013 | 41.549 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 777 | HOH | 0 | -0.050 | -0.039 | 34.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 778 | HOH | 0 | -0.037 | -0.029 | 46.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 779 | HOH | 0 | -0.045 | -0.031 | 41.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 780 | HOH | 0 | -0.005 | -0.013 | 36.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 782 | HOH | 0 | -0.028 | -0.024 | 58.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 784 | HOH | 0 | -0.069 | -0.048 | 46.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 785 | HOH | 0 | -0.017 | -0.006 | 53.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 787 | HOH | 0 | -0.020 | -0.025 | 53.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 789 | HOH | 0 | 0.024 | 0.017 | 6.159 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 791 | HOH | 0 | -0.051 | -0.038 | 21.272 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 792 | HOH | 0 | -0.032 | -0.024 | 40.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 793 | HOH | 0 | -0.005 | -0.010 | 29.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 794 | HOH | 0 | -0.015 | -0.011 | 23.509 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 795 | HOH | 0 | -0.025 | -0.019 | 24.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 796 | HOH | 0 | -0.067 | -0.044 | 50.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 797 | HOH | 0 | 0.006 | 0.008 | 44.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 800 | HOH | 0 | -0.009 | -0.007 | 32.645 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 803 | HOH | 0 | -0.011 | -0.011 | 57.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 805 | HOH | 0 | -0.039 | -0.035 | 52.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 806 | HOH | 0 | -0.018 | -0.021 | 44.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 812 | HOH | 0 | -0.011 | -0.022 | 43.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 813 | HOH | 0 | -0.034 | -0.026 | 44.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 814 | HOH | 0 | -0.018 | -0.009 | 44.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 816 | HOH | 0 | 0.034 | 0.029 | 17.074 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 817 | HOH | 0 | -0.045 | -0.028 | 19.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 818 | HOH | 0 | -0.051 | -0.038 | 32.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 819 | HOH | 0 | -0.013 | -0.024 | 24.137 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 821 | HOH | 0 | -0.031 | -0.030 | 49.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 823 | HOH | 0 | -0.038 | -0.028 | 53.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 824 | HOH | 0 | -0.042 | -0.037 | 60.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 825 | HOH | 0 | -0.037 | -0.026 | 35.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 827 | HOH | 0 | -0.002 | 0.010 | 59.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 828 | HOH | 0 | -0.034 | -0.037 | 51.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 829 | HOH | 0 | 0.012 | 0.006 | 28.887 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 830 | HOH | 0 | -0.029 | -0.016 | 45.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 831 | HOH | 0 | -0.049 | -0.037 | 52.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 834 | HOH | 0 | -0.048 | -0.064 | 43.370 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 835 | HOH | 0 | -0.027 | -0.023 | 14.356 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 838 | HOH | 0 | 0.007 | 0.002 | 18.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 839 | HOH | 0 | -0.079 | -0.082 | 48.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 840 | HOH | 0 | -0.055 | -0.054 | 40.465 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 841 | HOH | 0 | -0.038 | -0.025 | 8.502 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 842 | HOH | 0 | 0.036 | 0.037 | 42.787 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 843 | HOH | 0 | -0.017 | -0.018 | 51.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 844 | HOH | 0 | -0.032 | -0.030 | 14.707 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 848 | HOH | 0 | -0.037 | -0.025 | 13.445 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 849 | HOH | 0 | -0.043 | -0.029 | 50.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 852 | HOH | 0 | -0.028 | -0.052 | 33.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 853 | HOH | 0 | 0.005 | -0.006 | 41.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 854 | HOH | 0 | -0.033 | -0.023 | 55.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 855 | HOH | 0 | -0.054 | -0.035 | 32.455 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 859 | HOH | 0 | -0.018 | -0.009 | 50.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 863 | HOH | 0 | -0.017 | -0.023 | 50.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 864 | HOH | 0 | -0.011 | 0.001 | 48.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 865 | HOH | 0 | 0.001 | 0.007 | 18.803 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 866 | HOH | 0 | 0.021 | 0.007 | 12.698 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 868 | HOH | 0 | -0.057 | -0.036 | 23.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 873 | HOH | 0 | -0.008 | -0.018 | 26.774 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 878 | HOH | 0 | 0.006 | 0.010 | 42.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 879 | HOH | 0 | -0.028 | -0.028 | 30.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 880 | HOH | 0 | -0.067 | -0.072 | 62.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 882 | HOH | 0 | -0.039 | -0.024 | 43.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 885 | HOH | 0 | -0.034 | -0.037 | 34.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 886 | HOH | 0 | -0.052 | -0.034 | 55.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 887 | HOH | 0 | -0.059 | -0.043 | 54.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 891 | HOH | 0 | -0.028 | -0.028 | 7.600 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 892 | HOH | 0 | 0.010 | 0.004 | 56.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 893 | HOH | 0 | -0.009 | -0.007 | 53.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 894 | HOH | 0 | 0.044 | 0.026 | 36.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 895 | HOH | 0 | -0.025 | -0.020 | 31.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 896 | HOH | 0 | -0.033 | -0.022 | 8.630 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 899 | HOH | 0 | -0.034 | -0.022 | 43.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 901 | HOH | 0 | 0.045 | 0.032 | 32.517 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 902 | HOH | 0 | -0.022 | -0.017 | 38.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 906 | HOH | 0 | -0.031 | -0.055 | 29.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 907 | HOH | 0 | 0.014 | -0.001 | 59.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 908 | HOH | 0 | 0.002 | 0.022 | 31.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 910 | HOH | 0 | -0.039 | -0.019 | 57.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 912 | HOH | 0 | -0.015 | -0.039 | 14.698 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 915 | HOH | 0 | -0.018 | -0.022 | 56.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 918 | HOH | 0 | -0.052 | -0.030 | 25.936 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 919 | HOH | 0 | -0.059 | -0.048 | 22.664 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 920 | HOH | 0 | 0.000 | -0.005 | 31.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 922 | HOH | 0 | 0.021 | 0.007 | 31.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 927 | HOH | 0 | -0.033 | -0.028 | 60.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 930 | HOH | 0 | 0.024 | 0.047 | 35.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 936 | HOH | 0 | -0.008 | -0.009 | 31.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 937 | HOH | 0 | -0.045 | -0.052 | 53.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 941 | HOH | 0 | -0.067 | -0.073 | 33.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 943 | HOH | 0 | -0.065 | -0.069 | 33.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 945 | HOH | 0 | -0.024 | -0.016 | 43.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 948 | HOH | 0 | -0.032 | -0.025 | 59.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 949 | HOH | 0 | -0.029 | -0.024 | 46.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 956 | HOH | 0 | -0.056 | -0.050 | 11.821 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 960 | HOH | 0 | -0.062 | -0.041 | 46.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 962 | HOH | 0 | -0.044 | -0.037 | 28.579 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 964 | HOH | 0 | -0.043 | -0.030 | 50.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 967 | HOH | 0 | -0.040 | -0.031 | 18.166 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 974 | HOH | 0 | -0.038 | -0.017 | 12.248 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 982 | HOH | 0 | -0.016 | -0.012 | 57.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 987 | HOH | 0 | -0.026 | -0.033 | 59.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 989 | HOH | 0 | 0.043 | 0.033 | 16.885 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 991 | HOH | 0 | -0.023 | -0.019 | 17.141 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 993 | HOH | 0 | -0.011 | -0.025 | 15.661 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 994 | HOH | 0 | 0.031 | 0.022 | 19.527 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 996 | HOH | 0 | 0.012 | 0.006 | 57.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 997 | HOH | 0 | -0.040 | -0.042 | 59.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 998 | HOH | 0 | -0.002 | -0.001 | 60.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 999 | HOH | 0 | -0.069 | -0.040 | 58.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 1000 | HOH | 0 | 0.016 | 0.019 | 52.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 1003 | HOH | 0 | -0.008 | 0.000 | 31.128 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 1004 | HOH | 0 | -0.030 | -0.020 | 29.120 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 1005 | HOH | 0 | 0.008 | 0.017 | 25.809 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 1007 | HOH | 0 | 0.034 | 0.031 | 18.134 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 1008 | HOH | 0 | -0.056 | -0.038 | 21.940 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 1011 | HOH | 0 | -0.029 | -0.035 | 31.217 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 1014 | HOH | 0 | 0.014 | 0.021 | 13.392 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 1016 | HOH | 0 | -0.016 | -0.021 | 36.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 1017 | HOH | 0 | -0.001 | 0.003 | 38.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 1019 | HOH | 0 | 0.000 | 0.011 | 37.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 1020 | HOH | 0 | -0.056 | -0.052 | 36.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 1021 | HOH | 0 | 0.008 | 0.003 | 25.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 1028 | HOH | 0 | -0.063 | -0.064 | 39.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 1029 | HOH | 0 | -0.019 | -0.023 | 44.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 1035 | HOH | 0 | -0.027 | -0.012 | 60.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 1036 | HOH | 0 | -0.044 | -0.025 | 47.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 1037 | HOH | 0 | -0.036 | -0.019 | 52.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 1039 | HOH | 0 | -0.034 | -0.039 | 43.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 1041 | HOH | 0 | -0.051 | -0.024 | 41.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 1045 | HOH | 0 | 0.014 | 0.017 | 42.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |