NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374986 |
1eq3   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eq3
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 973
_Distance_constraint_stats_list.Viol_count 563
_Distance_constraint_stats_list.Viol_total 701.032
_Distance_constraint_stats_list.Viol_max 0.275
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0498
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 0.533 0.244 2 0 "[ . 1 . 2 .]"
1 2 ALA 1.890 0.244 2 0 "[ . 1 . 2 .]"
1 3 VAL 1.026 0.175 8 0 "[ . 1 . 2 .]"
1 4 LYS 0.480 0.138 23 0 "[ . 1 . 2 .]"
1 5 VAL 1.095 0.197 2 0 "[ . 1 . 2 .]"
1 6 ARG 0.274 0.107 9 0 "[ . 1 . 2 .]"
1 7 HIS 2.743 0.106 23 0 "[ . 1 . 2 .]"
1 8 ILE 2.336 0.215 9 0 "[ . 1 . 2 .]"
1 9 LEU 0.052 0.045 18 0 "[ . 1 . 2 .]"
1 10 CYS 0.838 0.123 8 0 "[ . 1 . 2 .]"
1 11 GLU 0.600 0.100 6 0 "[ . 1 . 2 .]"
1 12 LYS 0.654 0.086 4 0 "[ . 1 . 2 .]"
1 13 HIS 2.228 0.128 6 0 "[ . 1 . 2 .]"
1 14 GLY 0.090 0.048 10 0 "[ . 1 . 2 .]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 ILE 0.620 0.128 13 0 "[ . 1 . 2 .]"
1 17 MET 0.235 0.048 10 0 "[ . 1 . 2 .]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 ALA 0.154 0.154 20 0 "[ . 1 . 2 .]"
1 20 MET 1.045 0.123 10 0 "[ . 1 . 2 .]"
1 21 GLU 0.531 0.117 1 0 "[ . 1 . 2 .]"
1 22 LYS 0.019 0.016 6 0 "[ . 1 . 2 .]"
1 23 LEU 2.008 0.130 24 0 "[ . 1 . 2 .]"
1 24 LYS 1.162 0.132 13 0 "[ . 1 . 2 .]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 GLY 0.010 0.010 16 0 "[ . 1 . 2 .]"
1 27 MET 0.838 0.132 13 0 "[ . 1 . 2 .]"
1 28 ARG 0.423 0.071 22 0 "[ . 1 . 2 .]"
1 29 PHE 1.833 0.124 10 0 "[ . 1 . 2 .]"
1 30 ASN 0.617 0.081 19 0 "[ . 1 . 2 .]"
1 31 GLU 0.172 0.052 15 0 "[ . 1 . 2 .]"
1 32 VAL 1.998 0.186 16 0 "[ . 1 . 2 .]"
1 33 ALA 1.206 0.215 9 0 "[ . 1 . 2 .]"
1 34 ALA 0.281 0.109 9 0 "[ . 1 . 2 .]"
1 35 GLN 1.897 0.177 17 0 "[ . 1 . 2 .]"
1 36 TYR 0.332 0.189 16 0 "[ . 1 . 2 .]"
1 37 SER 0.851 0.090 2 0 "[ . 1 . 2 .]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 ASP 1.596 0.093 6 0 "[ . 1 . 2 .]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 ARG 0.240 0.055 21 0 "[ . 1 . 2 .]"
1 43 GLN 0.092 0.029 6 0 "[ . 1 . 2 .]"
1 45 GLY 1.101 0.164 3 0 "[ . 1 . 2 .]"
1 46 ASP 0.375 0.164 3 0 "[ . 1 . 2 .]"
1 47 LEU 0.999 0.137 6 0 "[ . 1 . 2 .]"
1 48 GLY 0.138 0.050 23 0 "[ . 1 . 2 .]"
1 49 TRP 0.379 0.138 23 0 "[ . 1 . 2 .]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 THR 0.672 0.121 20 0 "[ . 1 . 2 .]"
1 52 ARG 0.208 0.101 17 0 "[ . 1 . 2 .]"
1 53 GLY 0.708 0.190 15 0 "[ . 1 . 2 .]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 MET 0.527 0.190 15 0 "[ . 1 . 2 .]"
1 56 VAL 0.678 0.127 6 0 "[ . 1 . 2 .]"
1 58 PRO 0.442 0.127 6 0 "[ . 1 . 2 .]"
1 59 PHE 0.289 0.080 3 0 "[ . 1 . 2 .]"
1 60 GLN 0.184 0.083 25 0 "[ . 1 . 2 .]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 ALA 0.054 0.030 3 0 "[ . 1 . 2 .]"
1 63 ALA 0.304 0.105 7 0 "[ . 1 . 2 .]"
1 64 PHE 0.305 0.071 21 0 "[ . 1 . 2 .]"
1 65 ALA 0.135 0.038 13 0 "[ . 1 . 2 .]"
1 66 LEU 0.071 0.071 21 0 "[ . 1 . 2 .]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 68 VAL 0.133 0.047 22 0 "[ . 1 . 2 .]"
1 69 SER 0.171 0.050 3 0 "[ . 1 . 2 .]"
1 70 GLY 0.258 0.072 2 0 "[ . 1 . 2 .]"
1 71 MET 0.410 0.275 15 0 "[ . 1 . 2 .]"
1 72 ASP 0.212 0.072 2 0 "[ . 1 . 2 .]"
1 73 LYS 0.467 0.275 15 0 "[ . 1 . 2 .]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 75 VAL 0.342 0.195 25 0 "[ . 1 . 2 .]"
1 76 PHE 1.090 0.101 8 0 "[ . 1 . 2 .]"
1 77 THR 0.886 0.116 9 0 "[ . 1 . 2 .]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 79 PRO 0.367 0.121 9 0 "[ . 1 . 2 .]"
1 80 PRO 0.241 0.043 4 0 "[ . 1 . 2 .]"
1 81 VAL 0.499 0.105 18 0 "[ . 1 . 2 .]"
1 82 LYS 0.620 0.128 13 0 "[ . 1 . 2 .]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 PHE 0.193 0.131 18 0 "[ . 1 . 2 .]"
1 86 GLY 0.026 0.014 9 0 "[ . 1 . 2 .]"
1 87 TYR 0.915 0.174 18 0 "[ . 1 . 2 .]"
1 88 HIS 0.961 0.174 18 0 "[ . 1 . 2 .]"
1 89 ILE 0.954 0.154 20 0 "[ . 1 . 2 .]"
1 90 ILE 2.051 0.197 2 0 "[ . 1 . 2 .]"
1 91 MET 0.600 0.107 9 0 "[ . 1 . 2 .]"
1 92 VAL 0.531 0.195 25 0 "[ . 1 . 2 .]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 94 GLY 0.104 0.045 3 0 "[ . 1 . 2 .]"
1 95 ARG 0.147 0.045 3 0 "[ . 1 . 2 .]"
1 96 LYS 0.324 0.124 24 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN HA 1 2 ALA H 1.800 . 4.000 3.272 2.671 3.603 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 ASN HB2 1 2 ALA H 1.800 . 5.500 4.130 3.347 4.660 . 0 0 "[ . 1 . 2 .]" 1
3 1 1 ASN HB2 1 2 ALA MB 1.800 . 6.500 4.976 4.621 5.397 . 0 0 "[ . 1 . 2 .]" 1
4 1 1 ASN HB3 1 2 ALA H 1.800 . 5.500 3.510 1.941 4.637 . 0 0 "[ . 1 . 2 .]" 1
5 1 1 ASN HB3 1 2 ALA MB 1.800 . 6.500 4.331 3.214 5.432 . 0 0 "[ . 1 . 2 .]" 1
6 1 1 ASN HD21 1 51 THR HB 1.800 . 5.500 3.943 1.870 5.538 0.038 10 0 "[ . 1 . 2 .]" 1
7 1 1 ASN HD22 1 2 ALA H 1.800 . 5.500 5.196 3.333 5.744 0.244 2 0 "[ . 1 . 2 .]" 1
8 1 1 ASN HD22 1 2 ALA MB 1.800 . 6.500 4.670 3.552 5.532 . 0 0 "[ . 1 . 2 .]" 1
9 1 1 ASN HD22 1 51 THR MG 1.800 . 6.500 3.450 2.437 5.107 . 0 0 "[ . 1 . 2 .]" 1
10 1 2 ALA H 1 2 ALA MB 1.800 . 6.500 2.281 1.976 2.483 . 0 0 "[ . 1 . 2 .]" 1
11 1 2 ALA H 1 3 VAL H 1.800 . 5.500 4.486 4.256 4.642 . 0 0 "[ . 1 . 2 .]" 1
12 1 2 ALA H 1 3 VAL MG1 1.800 . 6.500 4.841 3.841 5.378 . 0 0 "[ . 1 . 2 .]" 1
13 1 2 ALA H 1 51 THR HB 1.800 . 5.500 5.408 4.799 5.621 0.121 20 0 "[ . 1 . 2 .]" 1
14 1 2 ALA H 1 96 LYS H 1.800 . 5.500 4.982 3.460 5.624 0.124 24 0 "[ . 1 . 2 .]" 1
15 1 2 ALA H 1 96 LYS QB 1.800 . 6.500 4.100 2.025 5.840 . 0 0 "[ . 1 . 2 .]" 1
16 1 2 ALA HA 1 3 VAL H 1.800 . 4.000 2.426 2.179 2.836 . 0 0 "[ . 1 . 2 .]" 1
17 1 2 ALA HA 1 3 VAL HB 1.800 . 5.500 4.859 4.174 5.591 0.091 11 0 "[ . 1 . 2 .]" 1
18 1 2 ALA HA 1 3 VAL MG1 1.800 . 6.500 3.316 2.845 3.771 . 0 0 "[ . 1 . 2 .]" 1
19 1 2 ALA HA 1 3 VAL MG2 1.800 . 6.500 4.730 3.319 5.475 . 0 0 "[ . 1 . 2 .]" 1
20 1 2 ALA HA 1 50 MET H 1.800 . 5.500 3.984 3.218 4.976 . 0 0 "[ . 1 . 2 .]" 1
21 1 2 ALA HA 1 51 THR H 1.800 . 5.500 4.266 3.409 5.369 . 0 0 "[ . 1 . 2 .]" 1
22 1 2 ALA HA 1 51 THR HA 1.800 . 5.500 2.458 1.793 3.559 0.007 20 0 "[ . 1 . 2 .]" 1
23 1 2 ALA HA 1 51 THR HB 1.800 . 5.500 3.817 2.364 4.771 . 0 0 "[ . 1 . 2 .]" 1
24 1 2 ALA HA 1 64 PHE HZ 1.800 . 5.500 4.126 2.409 5.324 . 0 0 "[ . 1 . 2 .]" 1
25 1 2 ALA MB 1 3 VAL H 1.800 . 5.000 2.655 1.979 3.427 . 0 0 "[ . 1 . 2 .]" 1
26 1 2 ALA MB 1 49 TRP HB2 1.800 . 6.500 3.684 3.066 4.908 . 0 0 "[ . 1 . 2 .]" 1
27 1 2 ALA MB 1 49 TRP HB3 1.800 . 6.500 2.321 1.720 3.663 0.080 2 0 "[ . 1 . 2 .]" 1
28 1 2 ALA MB 1 49 TRP HD1 1.800 . 6.500 4.189 1.873 5.397 . 0 0 "[ . 1 . 2 .]" 1
29 1 2 ALA MB 1 50 MET H 1.800 . 6.500 3.163 2.105 4.037 . 0 0 "[ . 1 . 2 .]" 1
30 1 2 ALA MB 1 51 THR H 1.800 . 6.500 3.889 2.673 5.297 . 0 0 "[ . 1 . 2 .]" 1
31 1 3 VAL H 1 3 VAL MG2 1.800 . 5.800 3.145 1.837 3.911 . 0 0 "[ . 1 . 2 .]" 1
32 1 3 VAL H 1 49 TRP HB3 1.800 . 5.500 3.999 3.382 4.625 . 0 0 "[ . 1 . 2 .]" 1
33 1 3 VAL H 1 50 MET H 1.800 . 5.500 2.176 1.814 2.931 . 0 0 "[ . 1 . 2 .]" 1
34 1 3 VAL H 1 51 THR HA 1.800 . 5.500 3.796 3.258 4.294 . 0 0 "[ . 1 . 2 .]" 1
35 1 3 VAL HA 1 4 LYS H 1.800 . 4.000 2.382 2.286 2.592 . 0 0 "[ . 1 . 2 .]" 1
36 1 3 VAL HA 1 95 ARG H 1.800 . 5.500 4.584 2.371 5.538 0.038 6 0 "[ . 1 . 2 .]" 1
37 1 3 VAL HA 1 95 ARG HA 1.800 . 5.500 2.975 1.980 4.110 . 0 0 "[ . 1 . 2 .]" 1
38 1 3 VAL HB 1 4 LYS H 1.800 . 5.500 3.524 2.561 4.029 . 0 0 "[ . 1 . 2 .]" 1
39 1 3 VAL HB 1 50 MET QG 1.800 . 6.500 5.299 4.318 5.869 . 0 0 "[ . 1 . 2 .]" 1
40 1 3 VAL HB 1 64 PHE QE 1.800 . 7.900 4.274 3.410 5.418 . 0 0 "[ . 1 . 2 .]" 1
41 1 3 VAL HB 1 64 PHE HZ 1.800 . 5.500 4.986 3.001 5.539 0.039 11 0 "[ . 1 . 2 .]" 1
42 1 3 VAL MG1 1 49 TRP HA 1.800 . 6.500 4.580 3.778 5.512 . 0 0 "[ . 1 . 2 .]" 1
43 1 3 VAL MG1 1 50 MET QG 1.800 . 7.500 3.435 1.828 5.490 . 0 0 "[ . 1 . 2 .]" 1
44 1 3 VAL MG1 1 51 THR HA 1.800 . 6.500 3.826 2.739 4.960 . 0 0 "[ . 1 . 2 .]" 1
45 1 3 VAL MG1 1 64 PHE QD 1.800 . 8.900 3.713 2.900 4.394 . 0 0 "[ . 1 . 2 .]" 1
46 1 3 VAL MG1 1 64 PHE QE 1.800 . 8.900 2.596 1.899 3.474 . 0 0 "[ . 1 . 2 .]" 1
47 1 3 VAL MG1 1 64 PHE HZ 1.800 . 6.500 2.987 1.975 3.890 . 0 0 "[ . 1 . 2 .]" 1
48 1 3 VAL MG1 1 95 ARG HA 1.800 . 6.500 4.102 1.795 5.402 0.005 25 0 "[ . 1 . 2 .]" 1
49 1 3 VAL MG2 1 4 LYS H 1.800 . 6.500 2.608 1.758 3.849 0.042 14 0 "[ . 1 . 2 .]" 1
50 1 3 VAL MG2 1 49 TRP HA 1.800 . 6.500 4.494 3.646 5.257 . 0 0 "[ . 1 . 2 .]" 1
51 1 3 VAL MG2 1 50 MET H 1.800 . 6.500 3.777 1.974 4.969 . 0 0 "[ . 1 . 2 .]" 1
52 1 3 VAL MG2 1 50 MET QG 1.800 . 7.500 3.774 1.883 5.347 . 0 0 "[ . 1 . 2 .]" 1
53 1 3 VAL MG2 1 64 PHE QD 1.800 . 8.900 4.457 3.252 5.619 . 0 0 "[ . 1 . 2 .]" 1
54 1 3 VAL MG2 1 64 PHE QE 1.800 . 8.900 3.765 1.781 4.853 0.019 12 0 "[ . 1 . 2 .]" 1
55 1 3 VAL MG2 1 64 PHE HZ 1.800 . 6.500 4.237 2.480 5.454 . 0 0 "[ . 1 . 2 .]" 1
56 1 3 VAL MG2 1 92 VAL MG1 1.800 . 7.500 2.840 1.684 5.033 0.116 24 0 "[ . 1 . 2 .]" 1
57 1 3 VAL MG2 1 92 VAL MG2 1.800 . 7.500 3.834 1.625 5.036 0.175 8 0 "[ . 1 . 2 .]" 1
58 1 3 VAL MG2 1 95 ARG HB2 1.800 . 6.500 4.129 2.343 5.308 . 0 0 "[ . 1 . 2 .]" 1
59 1 4 LYS H 1 4 LYS QG 1.800 . 6.500 3.321 2.470 4.036 . 0 0 "[ . 1 . 2 .]" 1
60 1 4 LYS H 1 93 GLU H 1.800 . 5.500 4.005 3.549 4.529 . 0 0 "[ . 1 . 2 .]" 1
61 1 4 LYS HA 1 5 VAL H 1.800 . 4.000 2.216 2.170 2.260 . 0 0 "[ . 1 . 2 .]" 1
62 1 4 LYS HA 1 48 GLY HA2 1.800 . 5.500 4.112 3.611 4.822 . 0 0 "[ . 1 . 2 .]" 1
63 1 4 LYS QB 1 49 TRP HE1 1.800 . 6.500 4.344 2.077 5.903 . 0 0 "[ . 1 . 2 .]" 1
64 1 4 LYS QB 1 93 GLU H 1.800 . 6.500 3.335 2.464 3.937 . 0 0 "[ . 1 . 2 .]" 1
65 1 4 LYS QD 1 5 VAL H 1.800 . 6.500 4.536 2.552 5.703 . 0 0 "[ . 1 . 2 .]" 1
66 1 4 LYS HD3 1 48 GLY HA2 1.800 . 5.500 4.741 2.469 5.550 0.050 23 0 "[ . 1 . 2 .]" 1
67 1 4 LYS QE 1 49 TRP HE1 1.800 . 6.500 3.860 1.876 5.256 . 0 0 "[ . 1 . 2 .]" 1
68 1 4 LYS QG 1 93 GLU H 1.800 . 6.500 5.130 4.085 5.791 . 0 0 "[ . 1 . 2 .]" 1
69 1 4 LYS HG2 1 5 VAL H 1.800 . 5.500 3.944 2.777 5.501 0.001 23 0 "[ . 1 . 2 .]" 1
70 1 4 LYS HG2 1 49 TRP HH2 1.800 . 5.500 5.107 3.890 5.500 . 12 0 "[ . 1 . 2 .]" 1
71 1 4 LYS HG2 1 49 TRP HZ2 1.800 . 5.500 4.465 3.820 5.538 0.038 4 0 "[ . 1 . 2 .]" 1
72 1 4 LYS HG2 1 49 TRP HZ3 1.800 . 5.500 5.154 3.543 5.638 0.138 23 0 "[ . 1 . 2 .]" 1
73 1 4 LYS HG3 1 49 TRP HE1 1.800 . 5.500 3.830 2.072 5.126 . 0 0 "[ . 1 . 2 .]" 1
74 1 5 VAL H 1 6 ARG H 1.800 . 5.500 4.453 4.233 4.533 . 0 0 "[ . 1 . 2 .]" 1
75 1 5 VAL H 1 47 LEU H 1.800 . 5.500 4.041 3.620 4.551 . 0 0 "[ . 1 . 2 .]" 1
76 1 5 VAL H 1 47 LEU MD1 1.800 . 6.500 4.412 1.889 5.343 . 0 0 "[ . 1 . 2 .]" 1
77 1 5 VAL H 1 47 LEU MD2 1.800 . 6.500 4.562 3.966 5.238 . 0 0 "[ . 1 . 2 .]" 1
78 1 5 VAL HA 1 6 ARG H 1.800 . 4.000 2.218 2.163 2.329 . 0 0 "[ . 1 . 2 .]" 1
79 1 5 VAL HA 1 92 VAL HA 1.800 . 4.000 2.648 1.865 3.340 . 0 0 "[ . 1 . 2 .]" 1
80 1 5 VAL HA 1 93 GLU H 1.800 . 5.500 3.548 2.927 4.104 . 0 0 "[ . 1 . 2 .]" 1
81 1 5 VAL HB 1 6 ARG H 1.800 . 5.500 4.031 2.780 4.492 . 0 0 "[ . 1 . 2 .]" 1
82 1 5 VAL HB 1 47 LEU H 1.800 . 5.500 4.455 3.185 5.625 0.125 18 0 "[ . 1 . 2 .]" 1
83 1 5 VAL HB 1 47 LEU MD2 1.800 . 5.000 3.218 2.268 4.089 . 0 0 "[ . 1 . 2 .]" 1
84 1 5 VAL MG1 1 6 ARG H 1.800 . 6.500 2.820 2.078 4.103 . 0 0 "[ . 1 . 2 .]" 1
85 1 5 VAL MG1 1 47 LEU H 1.800 . 6.500 3.962 3.115 5.478 . 0 0 "[ . 1 . 2 .]" 1
86 1 5 VAL MG1 1 47 LEU MD2 1.800 . 6.000 2.519 1.714 3.954 0.086 19 0 "[ . 1 . 2 .]" 1
87 1 5 VAL MG1 1 50 MET QG 1.800 . 7.500 4.197 1.824 5.379 . 0 0 "[ . 1 . 2 .]" 1
88 1 5 VAL MG1 1 59 PHE QD 1.800 . 8.900 5.360 4.453 6.478 . 0 0 "[ . 1 . 2 .]" 1
89 1 5 VAL MG1 1 59 PHE QE 1.800 . 8.900 3.804 2.586 5.270 . 0 0 "[ . 1 . 2 .]" 1
90 1 5 VAL MG1 1 59 PHE HZ 1.800 . 6.500 3.769 2.696 5.357 . 0 0 "[ . 1 . 2 .]" 1
91 1 5 VAL MG1 1 63 ALA MB 1.800 . 7.500 3.327 2.545 4.177 . 0 0 "[ . 1 . 2 .]" 1
92 1 5 VAL MG1 1 90 ILE MG 1.800 . 7.500 3.032 1.603 4.778 0.197 2 0 "[ . 1 . 2 .]" 1
93 1 5 VAL MG1 1 92 VAL HA 1.800 . 6.500 3.992 2.306 5.107 . 0 0 "[ . 1 . 2 .]" 1
94 1 5 VAL MG1 1 92 VAL MG1 1.800 . 7.500 4.037 2.021 5.071 . 0 0 "[ . 1 . 2 .]" 1
95 1 5 VAL MG2 1 6 ARG H 1.800 . 6.500 3.585 1.895 4.238 . 0 0 "[ . 1 . 2 .]" 1
96 1 5 VAL MG2 1 47 LEU H 1.800 . 6.500 4.886 2.856 5.486 . 0 0 "[ . 1 . 2 .]" 1
97 1 5 VAL MG2 1 47 LEU MD2 1.800 . 6.000 3.440 1.663 4.028 0.137 6 0 "[ . 1 . 2 .]" 1
98 1 5 VAL MG2 1 50 MET QG 1.800 . 7.500 3.377 1.917 5.492 . 0 0 "[ . 1 . 2 .]" 1
99 1 5 VAL MG2 1 59 PHE QD 1.800 . 8.900 5.866 5.249 6.575 . 0 0 "[ . 1 . 2 .]" 1
100 1 5 VAL MG2 1 59 PHE QE 1.800 . 8.900 4.520 3.572 5.345 . 0 0 "[ . 1 . 2 .]" 1
101 1 5 VAL MG2 1 59 PHE HZ 1.800 . 6.500 4.863 3.642 5.367 . 0 0 "[ . 1 . 2 .]" 1
102 1 5 VAL MG2 1 63 ALA MB 1.800 . 7.500 3.082 2.337 4.340 . 0 0 "[ . 1 . 2 .]" 1
103 1 5 VAL MG2 1 90 ILE MG 1.800 . 7.500 3.923 1.717 5.115 0.083 18 0 "[ . 1 . 2 .]" 1
104 1 5 VAL MG2 1 92 VAL HA 1.800 . 6.500 3.353 2.358 4.853 . 0 0 "[ . 1 . 2 .]" 1
105 1 6 ARG H 1 6 ARG QG 1.800 . 6.500 3.031 2.449 4.114 . 0 0 "[ . 1 . 2 .]" 1
106 1 6 ARG H 1 7 HIS H 1.800 . 5.500 4.257 3.955 4.441 . 0 0 "[ . 1 . 2 .]" 1
107 1 6 ARG H 1 91 MET H 1.800 . 5.500 2.744 2.310 3.344 . 0 0 "[ . 1 . 2 .]" 1
108 1 6 ARG H 1 91 MET QB 1.800 . 6.500 3.213 2.648 4.309 . 0 0 "[ . 1 . 2 .]" 1
109 1 6 ARG H 1 91 MET HG3 1.800 . 5.500 4.770 2.472 5.607 0.107 9 0 "[ . 1 . 2 .]" 1
110 1 6 ARG H 1 92 VAL HA 1.800 . 5.500 3.715 3.115 4.145 . 0 0 "[ . 1 . 2 .]" 1
111 1 6 ARG H 1 92 VAL MG1 1.800 . 6.500 5.102 3.955 5.406 . 0 0 "[ . 1 . 2 .]" 1
112 1 6 ARG HA 1 7 HIS H 1.800 . 4.000 2.275 2.245 2.334 . 0 0 "[ . 1 . 2 .]" 1
113 1 6 ARG HA 1 7 HIS HD2 1.800 . 5.500 3.975 3.314 4.782 . 0 0 "[ . 1 . 2 .]" 1
114 1 6 ARG HA 1 29 PHE QE 1.800 . 7.900 4.741 3.993 5.424 . 0 0 "[ . 1 . 2 .]" 1
115 1 6 ARG HA 1 46 ASP HA 1.800 . 4.000 1.940 1.788 2.290 0.012 20 0 "[ . 1 . 2 .]" 1
116 1 6 ARG HA 1 46 ASP HB2 1.800 . 5.500 3.964 2.046 4.722 . 0 0 "[ . 1 . 2 .]" 1
117 1 6 ARG HA 1 46 ASP HB3 1.800 . 5.500 3.871 2.131 5.131 . 0 0 "[ . 1 . 2 .]" 1
118 1 6 ARG HA 1 47 LEU H 1.800 . 5.500 2.552 1.868 3.494 . 0 0 "[ . 1 . 2 .]" 1
119 1 6 ARG HB2 1 7 HIS H 1.800 . 5.500 4.382 4.172 4.517 . 0 0 "[ . 1 . 2 .]" 1
120 1 6 ARG HB2 1 29 PHE QE 1.800 . 7.900 3.809 2.237 5.406 . 0 0 "[ . 1 . 2 .]" 1
121 1 6 ARG HB2 1 46 ASP HA 1.800 . 5.500 4.304 2.847 5.192 . 0 0 "[ . 1 . 2 .]" 1
122 1 6 ARG HB2 1 91 MET HB3 1.800 . 5.500 3.291 1.973 5.432 . 0 0 "[ . 1 . 2 .]" 1
123 1 6 ARG HB3 1 7 HIS H 1.800 . 5.500 3.743 3.348 4.406 . 0 0 "[ . 1 . 2 .]" 1
124 1 6 ARG HB3 1 29 PHE QE 1.800 . 7.900 2.904 1.861 4.635 . 0 0 "[ . 1 . 2 .]" 1
125 1 6 ARG HB3 1 46 ASP HA 1.800 . 5.500 3.504 2.669 4.433 . 0 0 "[ . 1 . 2 .]" 1
126 1 6 ARG HB3 1 46 ASP HB2 1.800 . 5.500 4.560 3.216 5.436 . 0 0 "[ . 1 . 2 .]" 1
127 1 6 ARG HB3 1 46 ASP HB3 1.800 . 5.500 4.286 2.816 5.514 0.014 20 0 "[ . 1 . 2 .]" 1
128 1 6 ARG QG 1 29 PHE QE 1.800 . 8.900 4.164 2.066 5.500 . 0 0 "[ . 1 . 2 .]" 1
129 1 6 ARG QG 1 46 ASP HA 1.800 . 6.500 2.680 1.850 3.800 . 0 0 "[ . 1 . 2 .]" 1
130 1 7 HIS H 1 7 HIS HD2 1.800 . 4.800 2.366 1.870 3.113 . 0 0 "[ . 1 . 2 .]" 1
131 1 7 HIS H 1 8 ILE H 1.800 . 5.500 4.480 4.428 4.526 . 0 0 "[ . 1 . 2 .]" 1
132 1 7 HIS H 1 8 ILE HA 1.800 . 5.500 4.916 4.814 5.019 . 0 0 "[ . 1 . 2 .]" 1
133 1 7 HIS H 1 29 PHE QD 1.800 . 8.200 6.824 5.965 7.438 . 0 0 "[ . 1 . 2 .]" 1
134 1 7 HIS H 1 29 PHE QE 1.800 . 7.900 4.689 3.781 5.361 . 0 0 "[ . 1 . 2 .]" 1
135 1 7 HIS H 1 29 PHE HZ 1.800 . 5.500 4.157 3.426 5.234 . 0 0 "[ . 1 . 2 .]" 1
136 1 7 HIS H 1 45 GLY H 1.800 . 5.500 5.147 3.958 5.588 0.088 12 0 "[ . 1 . 2 .]" 1
137 1 7 HIS H 1 45 GLY HA3 1.800 . 5.500 4.896 3.937 5.526 0.026 16 0 "[ . 1 . 2 .]" 1
138 1 7 HIS H 1 46 ASP HA 1.800 . 5.500 2.883 2.030 3.701 . 0 0 "[ . 1 . 2 .]" 1
139 1 7 HIS HA 1 8 ILE H 1.800 . 4.000 2.417 2.271 2.597 . 0 0 "[ . 1 . 2 .]" 1
140 1 7 HIS HA 1 8 ILE HA 1.800 . 5.500 4.511 4.451 4.573 . 0 0 "[ . 1 . 2 .]" 1
141 1 7 HIS HA 1 29 PHE QE 1.800 . 7.900 3.869 3.216 4.330 . 0 0 "[ . 1 . 2 .]" 1
142 1 7 HIS HA 1 29 PHE HZ 1.800 . 5.500 2.985 2.439 3.416 . 0 0 "[ . 1 . 2 .]" 1
143 1 7 HIS HA 1 90 ILE HA 1.800 . 4.000 2.082 1.822 2.489 . 0 0 "[ . 1 . 2 .]" 1
144 1 7 HIS HA 1 90 ILE HB 1.800 . 5.500 4.474 3.516 5.484 . 0 0 "[ . 1 . 2 .]" 1
145 1 7 HIS HA 1 90 ILE MD 1.800 . 6.500 5.142 3.174 5.493 . 0 0 "[ . 1 . 2 .]" 1
146 1 7 HIS HA 1 90 ILE MG 1.800 . 5.000 3.391 2.647 4.019 . 0 0 "[ . 1 . 2 .]" 1
147 1 7 HIS HA 1 91 MET H 1.800 . 5.500 3.198 2.710 3.618 . 0 0 "[ . 1 . 2 .]" 1
148 1 7 HIS HB2 1 8 ILE H 1.800 . 5.500 2.693 2.285 3.247 . 0 0 "[ . 1 . 2 .]" 1
149 1 7 HIS HB2 1 29 PHE HZ 1.800 . 5.500 5.230 4.743 5.593 0.093 21 0 "[ . 1 . 2 .]" 1
150 1 7 HIS HB2 1 90 ILE HA 1.800 . 5.500 2.441 1.873 3.110 . 0 0 "[ . 1 . 2 .]" 1
151 1 7 HIS HB2 1 90 ILE MG 1.800 . 6.500 2.271 1.694 3.561 0.106 23 0 "[ . 1 . 2 .]" 1
152 1 7 HIS HB3 1 8 ILE H 1.800 . 5.500 3.999 3.727 4.324 . 0 0 "[ . 1 . 2 .]" 1
153 1 7 HIS HB3 1 29 PHE HZ 1.800 . 5.500 5.238 4.730 5.560 0.060 22 0 "[ . 1 . 2 .]" 1
154 1 7 HIS HB3 1 90 ILE MG 1.800 . 6.500 2.176 1.702 3.266 0.098 6 0 "[ . 1 . 2 .]" 1
155 1 7 HIS HD2 1 8 ILE HA 1.800 . 5.500 5.251 4.767 5.544 0.044 1 0 "[ . 1 . 2 .]" 1
156 1 7 HIS HD2 1 45 GLY HA2 1.800 . 5.500 4.430 2.633 5.515 0.015 15 0 "[ . 1 . 2 .]" 1
157 1 7 HIS HD2 1 47 LEU MD1 1.800 . 6.500 2.579 1.711 5.135 0.089 22 0 "[ . 1 . 2 .]" 1
158 1 7 HIS HD2 1 47 LEU MD2 1.800 . 5.000 3.149 1.956 4.076 . 0 0 "[ . 1 . 2 .]" 1
159 1 7 HIS HE1 1 9 LEU HA 1.800 . 5.500 3.902 3.394 4.332 . 0 0 "[ . 1 . 2 .]" 1
160 1 7 HIS HE1 1 9 LEU QB 1.800 . 6.500 2.150 1.821 3.014 . 0 0 "[ . 1 . 2 .]" 1
161 1 7 HIS HE1 1 9 LEU MD1 1.800 . 5.000 2.382 1.835 3.262 . 0 0 "[ . 1 . 2 .]" 1
162 1 7 HIS HE1 1 9 LEU MD2 1.800 . 5.000 4.249 3.644 4.367 . 0 0 "[ . 1 . 2 .]" 1
163 1 7 HIS HE1 1 39 ASP HB2 1.800 . 5.500 5.001 3.717 5.563 0.063 1 0 "[ . 1 . 2 .]" 1
164 1 7 HIS HE1 1 39 ASP HB3 1.800 . 5.500 5.103 4.083 5.593 0.093 6 0 "[ . 1 . 2 .]" 1
165 1 7 HIS HE1 1 47 LEU MD2 1.800 . 6.500 5.208 4.782 5.450 . 0 0 "[ . 1 . 2 .]" 1
166 1 7 HIS HE1 1 59 PHE QD 1.800 . 7.900 5.998 4.424 7.139 . 0 0 "[ . 1 . 2 .]" 1
167 1 7 HIS HE1 1 59 PHE HZ 1.800 . 5.500 4.962 3.738 5.529 0.029 3 0 "[ . 1 . 2 .]" 1
168 1 8 ILE H 1 8 ILE MD 1.800 . 6.500 3.678 2.989 4.408 . 0 0 "[ . 1 . 2 .]" 1
169 1 8 ILE H 1 88 HIS HA 1.800 . 5.500 4.222 3.707 4.732 . 0 0 "[ . 1 . 2 .]" 1
170 1 8 ILE H 1 89 ILE H 1.800 . 5.500 2.638 2.260 3.036 . 0 0 "[ . 1 . 2 .]" 1
171 1 8 ILE H 1 89 ILE MG 1.800 . 6.500 3.575 1.807 4.882 . 0 0 "[ . 1 . 2 .]" 1
172 1 8 ILE H 1 90 ILE HA 1.800 . 5.500 3.709 3.332 4.068 . 0 0 "[ . 1 . 2 .]" 1
173 1 8 ILE HA 1 9 LEU H 1.800 . 4.000 2.236 2.151 2.306 . 0 0 "[ . 1 . 2 .]" 1
174 1 8 ILE HA 1 36 TYR QD 1.800 . 7.900 6.419 5.389 7.165 . 0 0 "[ . 1 . 2 .]" 1
175 1 8 ILE HA 1 45 GLY H 1.800 . 5.500 5.196 2.458 5.569 0.069 10 0 "[ . 1 . 2 .]" 1
176 1 8 ILE HB 1 8 ILE MD 1.800 . 5.800 2.170 1.974 2.368 . 0 0 "[ . 1 . 2 .]" 1
177 1 8 ILE HB 1 29 PHE QE 1.800 . 7.900 4.951 4.050 6.504 . 0 0 "[ . 1 . 2 .]" 1
178 1 8 ILE HB 1 89 ILE H 1.800 . 5.500 3.857 2.550 5.340 . 0 0 "[ . 1 . 2 .]" 1
179 1 8 ILE MD 1 9 LEU H 1.800 . 6.500 5.088 4.338 5.447 . 0 0 "[ . 1 . 2 .]" 1
180 1 8 ILE MD 1 23 LEU QB 1.800 . 7.500 3.557 3.001 4.322 . 0 0 "[ . 1 . 2 .]" 1
181 1 8 ILE MD 1 23 LEU MD1 1.800 . 6.000 3.565 2.069 4.194 . 0 0 "[ . 1 . 2 .]" 1
182 1 8 ILE MD 1 23 LEU MD2 1.800 . 6.000 2.676 1.850 3.773 . 0 0 "[ . 1 . 2 .]" 1
183 1 8 ILE MD 1 29 PHE QE 1.800 . 8.900 3.035 1.869 5.167 . 0 0 "[ . 1 . 2 .]" 1
184 1 8 ILE MD 1 32 VAL HA 1.800 . 6.500 4.549 3.619 5.262 . 0 0 "[ . 1 . 2 .]" 1
185 1 8 ILE MD 1 32 VAL HB 1.800 . 6.500 3.233 2.214 4.191 . 0 0 "[ . 1 . 2 .]" 1
186 1 8 ILE MD 1 32 VAL MG1 1.800 . 7.500 2.107 1.614 4.548 0.186 16 0 "[ . 1 . 2 .]" 1
187 1 8 ILE MD 1 32 VAL MG2 1.800 . 7.500 3.729 1.854 4.452 . 0 0 "[ . 1 . 2 .]" 1
188 1 8 ILE MD 1 33 ALA H 1.800 . 6.500 3.292 2.229 4.305 . 0 0 "[ . 1 . 2 .]" 1
189 1 8 ILE MD 1 33 ALA HA 1.800 . 6.500 2.749 1.822 3.601 . 0 0 "[ . 1 . 2 .]" 1
190 1 8 ILE MD 1 33 ALA MB 1.800 . 7.500 2.993 2.078 4.091 . 0 0 "[ . 1 . 2 .]" 1
191 1 8 ILE MD 1 36 TYR HB2 1.800 . 6.500 3.221 1.739 5.217 0.061 4 0 "[ . 1 . 2 .]" 1
192 1 8 ILE MD 1 36 TYR HB3 1.800 . 6.500 3.761 2.022 5.233 . 0 0 "[ . 1 . 2 .]" 1
193 1 8 ILE MD 1 36 TYR QD 1.800 . 8.900 3.292 1.847 5.081 . 0 0 "[ . 1 . 2 .]" 1
194 1 8 ILE MD 1 36 TYR QE 1.800 . 8.900 4.689 2.519 6.223 . 0 0 "[ . 1 . 2 .]" 1
195 1 8 ILE MD 1 89 ILE H 1.800 . 6.500 4.330 3.605 5.012 . 0 0 "[ . 1 . 2 .]" 1
196 1 8 ILE HG12 1 29 PHE QE 1.800 . 7.900 4.042 2.311 6.304 . 0 0 "[ . 1 . 2 .]" 1
197 1 8 ILE HG12 1 33 ALA H 1.800 . 5.500 4.394 3.086 5.592 0.092 9 0 "[ . 1 . 2 .]" 1
198 1 8 ILE HG12 1 33 ALA HA 1.800 . 5.500 2.823 1.843 4.417 . 0 0 "[ . 1 . 2 .]" 1
199 1 8 ILE HG12 1 33 ALA MB 1.800 . 6.500 2.998 1.803 4.470 . 0 0 "[ . 1 . 2 .]" 1
200 1 8 ILE HG12 1 36 TYR HB2 1.800 . 5.500 4.250 3.516 5.200 . 0 0 "[ . 1 . 2 .]" 1
201 1 8 ILE HG12 1 36 TYR HB3 1.800 . 5.500 4.962 4.312 5.689 0.189 16 0 "[ . 1 . 2 .]" 1
202 1 8 ILE HG12 1 36 TYR QE 1.800 . 7.900 6.781 2.191 7.345 . 0 0 "[ . 1 . 2 .]" 1
203 1 8 ILE HG13 1 23 LEU MD2 1.800 . 6.500 4.751 4.061 5.283 . 0 0 "[ . 1 . 2 .]" 1
204 1 8 ILE HG13 1 29 PHE QE 1.800 . 7.900 3.991 1.969 6.394 . 0 0 "[ . 1 . 2 .]" 1
205 1 8 ILE HG13 1 33 ALA HA 1.800 . 5.500 3.939 1.877 4.896 . 0 0 "[ . 1 . 2 .]" 1
206 1 8 ILE MG 1 9 LEU H 1.800 . 6.500 3.256 2.404 4.128 . 0 0 "[ . 1 . 2 .]" 1
207 1 8 ILE MG 1 33 ALA H 1.800 . 6.500 3.955 2.881 5.391 . 0 0 "[ . 1 . 2 .]" 1
208 1 8 ILE MG 1 33 ALA HA 1.800 . 6.500 2.194 1.773 4.191 0.027 3 0 "[ . 1 . 2 .]" 1
209 1 8 ILE MG 1 33 ALA MB 1.800 . 7.500 2.814 1.585 4.164 0.215 9 0 "[ . 1 . 2 .]" 1
210 1 8 ILE MG 1 36 TYR QD 1.800 . 8.900 3.640 2.463 5.204 . 0 0 "[ . 1 . 2 .]" 1
211 1 8 ILE MG 1 36 TYR QE 1.800 . 8.900 5.242 1.771 6.710 0.029 16 0 "[ . 1 . 2 .]" 1
212 1 8 ILE MG 1 89 ILE H 1.800 . 6.500 4.301 1.919 5.095 . 0 0 "[ . 1 . 2 .]" 1
213 1 9 LEU H 1 10 CYS H 1.800 . 5.500 4.426 4.175 4.544 . 0 0 "[ . 1 . 2 .]" 1
214 1 9 LEU HA 1 9 LEU MD2 1.800 . 5.800 2.681 1.893 3.125 . 0 0 "[ . 1 . 2 .]" 1
215 1 9 LEU HA 1 10 CYS H 1.800 . 4.000 2.201 2.152 2.255 . 0 0 "[ . 1 . 2 .]" 1
216 1 9 LEU HA 1 88 HIS HA 1.800 . 4.000 2.843 2.641 3.009 . 0 0 "[ . 1 . 2 .]" 1
217 1 9 LEU HA 1 88 HIS HE1 1.800 . 5.500 4.385 3.971 4.776 . 0 0 "[ . 1 . 2 .]" 1
218 1 9 LEU HA 1 89 ILE H 1.800 . 5.500 4.156 3.852 4.382 . 0 0 "[ . 1 . 2 .]" 1
219 1 9 LEU QB 1 88 HIS HA 1.800 . 6.500 4.677 4.307 5.062 . 0 0 "[ . 1 . 2 .]" 1
220 1 9 LEU QB 1 88 HIS HE1 1.800 . 6.500 4.178 3.828 4.751 . 0 0 "[ . 1 . 2 .]" 1
221 1 9 LEU MD1 1 10 CYS H 1.800 . 6.500 4.670 4.429 5.109 . 0 0 "[ . 1 . 2 .]" 1
222 1 9 LEU MD1 1 38 GLU H 1.800 . 6.500 5.013 4.128 5.415 . 0 0 "[ . 1 . 2 .]" 1
223 1 9 LEU MD1 1 39 ASP H 1.800 . 6.500 4.705 3.993 5.265 . 0 0 "[ . 1 . 2 .]" 1
224 1 9 LEU MD1 1 39 ASP HA 1.800 . 6.500 4.494 3.187 5.347 . 0 0 "[ . 1 . 2 .]" 1
225 1 9 LEU MD1 1 39 ASP HB2 1.800 . 6.500 3.314 2.099 4.892 . 0 0 "[ . 1 . 2 .]" 1
226 1 9 LEU MD1 1 39 ASP HB3 1.800 . 6.500 3.304 1.821 5.013 . 0 0 "[ . 1 . 2 .]" 1
227 1 9 LEU MD1 1 85 PHE HB2 1.800 . 6.500 3.889 3.622 4.672 . 0 0 "[ . 1 . 2 .]" 1
228 1 9 LEU MD1 1 85 PHE HB3 1.800 . 6.500 5.166 4.302 5.339 . 0 0 "[ . 1 . 2 .]" 1
229 1 9 LEU MD1 1 85 PHE QD 1.800 . 8.900 3.506 2.786 4.813 . 0 0 "[ . 1 . 2 .]" 1
230 1 9 LEU MD1 1 85 PHE QE 1.800 . 8.900 4.617 3.605 6.395 . 0 0 "[ . 1 . 2 .]" 1
231 1 9 LEU MD1 1 88 HIS HA 1.800 . 6.500 5.191 4.722 5.544 . 0 0 "[ . 1 . 2 .]" 1
232 1 9 LEU MD1 1 88 HIS HE1 1.800 . 6.500 2.149 1.795 3.121 0.005 3 0 "[ . 1 . 2 .]" 1
233 1 9 LEU MD2 1 10 CYS H 1.800 . 5.000 2.504 1.903 3.162 . 0 0 "[ . 1 . 2 .]" 1
234 1 9 LEU MD2 1 10 CYS HB2 1.800 . 6.500 4.610 4.169 5.156 . 0 0 "[ . 1 . 2 .]" 1
235 1 9 LEU MD2 1 11 GLU H 1.800 . 6.500 4.375 3.815 5.211 . 0 0 "[ . 1 . 2 .]" 1
236 1 9 LEU MD2 1 38 GLU H 1.800 . 6.500 3.963 2.585 4.850 . 0 0 "[ . 1 . 2 .]" 1
237 1 9 LEU MD2 1 39 ASP H 1.800 . 6.500 4.627 3.627 5.293 . 0 0 "[ . 1 . 2 .]" 1
238 1 9 LEU MD2 1 85 PHE HB2 1.800 . 6.500 3.623 2.782 3.906 . 0 0 "[ . 1 . 2 .]" 1
239 1 9 LEU MD2 1 85 PHE HB3 1.800 . 6.500 5.046 3.388 5.295 . 0 0 "[ . 1 . 2 .]" 1
240 1 9 LEU MD2 1 85 PHE QD 1.800 . 8.900 3.501 1.961 4.451 . 0 0 "[ . 1 . 2 .]" 1
241 1 9 LEU MD2 1 85 PHE QE 1.800 . 8.900 5.053 1.755 6.272 0.045 18 0 "[ . 1 . 2 .]" 1
242 1 9 LEU MD2 1 86 GLY HA2 1.800 . 6.500 4.510 4.040 5.374 . 0 0 "[ . 1 . 2 .]" 1
243 1 9 LEU MD2 1 87 TYR H 1.800 . 6.500 3.857 2.994 4.909 . 0 0 "[ . 1 . 2 .]" 1
244 1 9 LEU MD2 1 88 HIS HA 1.800 . 6.500 4.467 3.270 5.344 . 0 0 "[ . 1 . 2 .]" 1
245 1 9 LEU MD2 1 88 HIS HD2 1.800 . 6.500 4.844 3.680 5.376 . 0 0 "[ . 1 . 2 .]" 1
246 1 9 LEU HG 1 10 CYS H 1.800 . 5.500 3.542 2.897 4.300 . 0 0 "[ . 1 . 2 .]" 1
247 1 9 LEU HG 1 88 HIS HE1 1.800 . 5.500 2.375 2.021 3.107 . 0 0 "[ . 1 . 2 .]" 1
248 1 10 CYS H 1 11 GLU H 1.800 . 5.500 4.448 4.335 4.583 . 0 0 "[ . 1 . 2 .]" 1
249 1 10 CYS H 1 87 TYR H 1.800 . 5.500 3.249 2.734 3.752 . 0 0 "[ . 1 . 2 .]" 1
250 1 10 CYS H 1 87 TYR HA 1.800 . 5.500 5.032 4.765 5.292 . 0 0 "[ . 1 . 2 .]" 1
251 1 10 CYS H 1 87 TYR HB2 1.800 . 5.500 4.486 3.290 5.623 0.123 8 0 "[ . 1 . 2 .]" 1
252 1 10 CYS H 1 87 TYR QD 1.800 . 7.900 4.709 3.629 5.532 . 0 0 "[ . 1 . 2 .]" 1
253 1 10 CYS H 1 88 HIS HA 1.800 . 4.000 3.652 3.118 4.015 0.015 2 0 "[ . 1 . 2 .]" 1
254 1 10 CYS H 1 88 HIS HE1 1.800 . 5.500 5.153 4.694 5.588 0.088 18 0 "[ . 1 . 2 .]" 1
255 1 10 CYS HA 1 11 GLU H 1.800 . 5.500 2.422 2.255 2.732 . 0 0 "[ . 1 . 2 .]" 1
256 1 10 CYS HA 1 11 GLU QB 1.800 . 6.500 4.429 4.094 4.799 . 0 0 "[ . 1 . 2 .]" 1
257 1 10 CYS HB2 1 11 GLU H 1.800 . 5.500 3.675 2.016 4.260 . 0 0 "[ . 1 . 2 .]" 1
258 1 10 CYS HB2 1 15 LYS QD 1.800 . 6.500 4.883 2.680 5.853 . 0 0 "[ . 1 . 2 .]" 1
259 1 11 GLU H 1 12 LYS H 1.800 . 5.500 4.515 2.109 4.724 . 0 0 "[ . 1 . 2 .]" 1
260 1 11 GLU H 1 15 LYS QD 1.800 . 6.500 5.377 3.642 5.880 . 0 0 "[ . 1 . 2 .]" 1
261 1 11 GLU H 1 38 GLU QB 1.800 . 6.500 3.856 3.037 5.630 . 0 0 "[ . 1 . 2 .]" 1
262 1 11 GLU H 1 86 GLY HA2 1.800 . 5.500 5.151 4.769 5.514 0.014 9 0 "[ . 1 . 2 .]" 1
263 1 11 GLU H 1 87 TYR H 1.800 . 5.500 4.701 4.096 5.049 . 0 0 "[ . 1 . 2 .]" 1
264 1 11 GLU HA 1 38 GLU QG 1.800 . 6.500 4.950 3.543 5.838 . 0 0 "[ . 1 . 2 .]" 1
265 1 11 GLU HA 1 86 GLY H 1.800 . 5.500 4.642 3.975 5.266 . 0 0 "[ . 1 . 2 .]" 1
266 1 11 GLU HA 1 86 GLY HA2 1.800 . 5.500 2.791 2.213 3.369 . 0 0 "[ . 1 . 2 .]" 1
267 1 11 GLU HA 1 87 TYR H 1.800 . 5.500 3.793 3.054 4.398 . 0 0 "[ . 1 . 2 .]" 1
268 1 11 GLU QB 1 12 LYS H 1.800 . 5.000 2.550 1.806 3.515 . 0 0 "[ . 1 . 2 .]" 1
269 1 11 GLU QB 1 13 HIS HD2 1.800 . 6.500 4.109 2.315 5.588 . 0 0 "[ . 1 . 2 .]" 1
270 1 11 GLU QB 1 13 HIS HE1 1.800 . 5.000 2.049 1.700 4.002 0.100 6 0 "[ . 1 . 2 .]" 1
271 1 11 GLU QB 1 15 LYS QD 1.800 . 7.500 5.196 3.379 5.992 . 0 0 "[ . 1 . 2 .]" 1
272 1 11 GLU QB 1 86 GLY HA2 1.800 . 6.500 4.343 3.818 5.058 . 0 0 "[ . 1 . 2 .]" 1
273 1 11 GLU QG 1 12 LYS H 1.800 . 6.500 3.737 2.006 4.486 . 0 0 "[ . 1 . 2 .]" 1
274 1 12 LYS H 1 13 HIS H 1.800 . 5.500 4.181 3.247 4.536 . 0 0 "[ . 1 . 2 .]" 1
275 1 12 LYS HA 1 13 HIS HD2 1.800 . 5.500 5.292 4.396 5.586 0.086 4 0 "[ . 1 . 2 .]" 1
276 1 12 LYS QB 1 13 HIS H 1.800 . 6.500 3.924 3.570 4.100 . 0 0 "[ . 1 . 2 .]" 1
277 1 12 LYS QB 1 13 HIS HE1 1.800 . 6.500 4.912 3.628 5.976 . 0 0 "[ . 1 . 2 .]" 1
278 1 12 LYS QB 1 14 GLY H 1.800 . 6.500 4.747 3.853 5.840 . 0 0 "[ . 1 . 2 .]" 1
279 1 13 HIS H 1 14 GLY H 1.800 . 5.500 2.360 1.790 4.598 0.010 22 0 "[ . 1 . 2 .]" 1
280 1 13 HIS H 1 15 LYS QB 1.800 . 6.500 3.742 2.764 4.883 . 0 0 "[ . 1 . 2 .]" 1
281 1 13 HIS HA 1 13 HIS HD2 1.800 . 4.800 4.151 2.286 4.928 0.128 6 0 "[ . 1 . 2 .]" 1
282 1 13 HIS HA 1 14 GLY H 1.800 . 5.500 3.093 2.249 3.550 . 0 0 "[ . 1 . 2 .]" 1
283 1 13 HIS HA 1 87 TYR QD 1.800 . 7.900 5.967 3.739 6.670 . 0 0 "[ . 1 . 2 .]" 1
284 1 13 HIS QB 1 14 GLY H 1.800 . 6.500 3.496 1.976 3.956 . 0 0 "[ . 1 . 2 .]" 1
285 1 13 HIS HD2 1 87 TYR QD 1.800 . 7.900 5.950 3.788 7.240 . 0 0 "[ . 1 . 2 .]" 1
286 1 13 HIS HE1 1 87 TYR QD 1.800 . 7.900 6.173 2.457 7.312 . 0 0 "[ . 1 . 2 .]" 1
287 1 13 HIS HE1 1 87 TYR QE 1.800 . 7.900 5.754 3.493 6.900 . 0 0 "[ . 1 . 2 .]" 1
288 1 14 GLY H 1 15 LYS H 1.800 . 5.500 2.407 1.827 2.812 . 0 0 "[ . 1 . 2 .]" 1
289 1 14 GLY H 1 16 ILE H 1.800 . 5.500 3.713 2.788 4.242 . 0 0 "[ . 1 . 2 .]" 1
290 1 14 GLY H 1 87 TYR QE 1.800 . 7.900 3.359 1.819 6.613 . 0 0 "[ . 1 . 2 .]" 1
291 1 14 GLY HA2 1 15 LYS H 1.800 . 5.500 3.143 2.779 3.401 . 0 0 "[ . 1 . 2 .]" 1
292 1 14 GLY HA2 1 17 MET H 1.800 . 5.500 4.941 3.963 5.548 0.048 10 0 "[ . 1 . 2 .]" 1
293 1 14 GLY HA3 1 15 LYS H 1.800 . 5.500 3.391 3.095 3.579 . 0 0 "[ . 1 . 2 .]" 1
294 1 15 LYS H 1 15 LYS QD 1.800 . 5.800 3.950 1.868 4.635 . 0 0 "[ . 1 . 2 .]" 1
295 1 15 LYS H 1 15 LYS QG 1.800 . 6.500 3.067 1.833 4.016 . 0 0 "[ . 1 . 2 .]" 1
296 1 15 LYS H 1 16 ILE H 1.800 . 5.500 2.445 1.971 2.767 . 0 0 "[ . 1 . 2 .]" 1
297 1 15 LYS HA 1 15 LYS QE 1.800 . 6.500 4.332 3.602 4.881 . 0 0 "[ . 1 . 2 .]" 1
298 1 15 LYS HA 1 16 ILE H 1.800 . 5.500 3.293 3.089 3.450 . 0 0 "[ . 1 . 2 .]" 1
299 1 15 LYS HA 1 18 GLU H 1.800 . 5.500 3.111 2.860 3.374 . 0 0 "[ . 1 . 2 .]" 1
300 1 15 LYS HA 1 18 GLU HB2 1.800 . 5.500 3.032 2.077 3.845 . 0 0 "[ . 1 . 2 .]" 1
301 1 15 LYS HA 1 18 GLU HB3 1.800 . 5.500 3.503 2.222 4.886 . 0 0 "[ . 1 . 2 .]" 1
302 1 15 LYS HA 1 19 ALA H 1.800 . 5.500 4.202 3.610 4.804 . 0 0 "[ . 1 . 2 .]" 1
303 1 15 LYS HA 1 87 TYR QD 1.800 . 7.900 6.018 4.486 7.299 . 0 0 "[ . 1 . 2 .]" 1
304 1 15 LYS HB2 1 16 ILE H 1.800 . 5.500 4.041 3.326 4.602 . 0 0 "[ . 1 . 2 .]" 1
305 1 15 LYS HB3 1 16 ILE H 1.800 . 5.500 3.879 3.075 4.500 . 0 0 "[ . 1 . 2 .]" 1
306 1 15 LYS QD 1 18 GLU HB3 1.800 . 6.500 4.480 3.203 5.791 . 0 0 "[ . 1 . 2 .]" 1
307 1 15 LYS QD 1 19 ALA H 1.800 . 6.500 4.841 3.390 5.788 . 0 0 "[ . 1 . 2 .]" 1
308 1 15 LYS QE 1 15 LYS QG 1.800 . 7.500 2.185 1.980 2.573 . 0 0 "[ . 1 . 2 .]" 1
309 1 15 LYS QG 1 18 GLU H 1.800 . 6.500 4.276 3.295 5.495 . 0 0 "[ . 1 . 2 .]" 1
310 1 15 LYS QG 1 19 ALA H 1.800 . 6.500 3.863 2.350 5.816 . 0 0 "[ . 1 . 2 .]" 1
311 1 15 LYS QG 1 87 TYR QD 1.800 . 8.900 4.846 1.990 6.635 . 0 0 "[ . 1 . 2 .]" 1
312 1 16 ILE HA 1 16 ILE MD 1.800 . 5.800 3.565 2.172 3.871 . 0 0 "[ . 1 . 2 .]" 1
313 1 16 ILE HA 1 17 MET H 1.800 . 5.500 3.576 3.547 3.595 . 0 0 "[ . 1 . 2 .]" 1
314 1 16 ILE HA 1 19 ALA H 1.800 . 5.500 3.717 3.317 4.152 . 0 0 "[ . 1 . 2 .]" 1
315 1 16 ILE HA 1 19 ALA MB 1.800 . 5.000 2.843 2.231 3.461 . 0 0 "[ . 1 . 2 .]" 1
316 1 16 ILE HA 1 20 MET H 1.800 . 5.500 4.190 3.856 4.573 . 0 0 "[ . 1 . 2 .]" 1
317 1 16 ILE HB 1 17 MET H 1.800 . 5.500 2.720 2.056 3.851 . 0 0 "[ . 1 . 2 .]" 1
318 1 16 ILE MD 1 82 LYS HA 1.800 . 6.500 3.808 2.467 5.385 . 0 0 "[ . 1 . 2 .]" 1
319 1 16 ILE MD 1 87 TYR HB3 1.800 . 6.500 3.392 1.808 4.785 . 0 0 "[ . 1 . 2 .]" 1
320 1 16 ILE MD 1 87 TYR QD 1.800 . 8.900 3.274 1.840 4.742 . 0 0 "[ . 1 . 2 .]" 1
321 1 16 ILE MD 1 87 TYR QE 1.800 . 8.900 3.686 2.016 6.045 . 0 0 "[ . 1 . 2 .]" 1
322 1 16 ILE HG12 1 82 LYS HA 1.800 . 5.500 4.792 4.114 5.628 0.128 13 0 "[ . 1 . 2 .]" 1
323 1 16 ILE HG12 1 87 TYR HB2 1.800 . 5.500 3.752 2.236 5.357 . 0 0 "[ . 1 . 2 .]" 1
324 1 16 ILE HG12 1 87 TYR HB3 1.800 . 5.500 3.162 1.883 4.479 . 0 0 "[ . 1 . 2 .]" 1
325 1 16 ILE HG12 1 87 TYR QD 1.800 . 7.900 3.351 1.841 4.711 . 0 0 "[ . 1 . 2 .]" 1
326 1 16 ILE HG13 1 82 LYS HA 1.800 . 5.500 5.232 4.137 5.557 0.057 8 0 "[ . 1 . 2 .]" 1
327 1 16 ILE MG 1 82 LYS HA 1.800 . 6.500 5.110 4.432 5.336 . 0 0 "[ . 1 . 2 .]" 1
328 1 17 MET HA 1 18 GLU H 1.800 . 5.500 3.561 3.511 3.591 . 0 0 "[ . 1 . 2 .]" 1
329 1 17 MET HA 1 20 MET H 1.800 . 4.000 3.887 3.581 4.048 0.048 2 0 "[ . 1 . 2 .]" 1
330 1 17 MET HA 1 20 MET HB3 1.800 . 5.500 4.162 2.983 4.844 . 0 0 "[ . 1 . 2 .]" 1
331 1 17 MET HA 1 21 GLU H 1.800 . 5.500 4.024 3.292 4.511 . 0 0 "[ . 1 . 2 .]" 1
332 1 17 MET HB2 1 18 GLU H 1.800 . 5.500 3.368 2.327 3.942 . 0 0 "[ . 1 . 2 .]" 1
333 1 17 MET HB3 1 18 GLU H 1.800 . 5.500 3.119 2.371 3.894 . 0 0 "[ . 1 . 2 .]" 1
334 1 18 GLU H 1 20 MET H 1.800 . 5.500 4.532 4.129 4.808 . 0 0 "[ . 1 . 2 .]" 1
335 1 18 GLU HA 1 18 GLU QG 1.800 . 6.500 2.493 2.200 2.893 . 0 0 "[ . 1 . 2 .]" 1
336 1 18 GLU HA 1 19 ALA H 1.800 . 5.500 3.561 3.488 3.588 . 0 0 "[ . 1 . 2 .]" 1
337 1 18 GLU HA 1 20 MET H 1.800 . 5.500 4.895 4.410 5.170 . 0 0 "[ . 1 . 2 .]" 1
338 1 18 GLU HA 1 21 GLU H 1.800 . 5.500 3.651 3.185 4.189 . 0 0 "[ . 1 . 2 .]" 1
339 1 18 GLU HA 1 21 GLU QB 1.800 . 5.000 2.539 1.808 3.813 . 0 0 "[ . 1 . 2 .]" 1
340 1 18 GLU HA 1 22 LYS H 1.800 . 5.500 4.067 3.802 4.553 . 0 0 "[ . 1 . 2 .]" 1
341 1 18 GLU HA 1 36 TYR QE 1.800 . 7.900 6.198 5.138 6.977 . 0 0 "[ . 1 . 2 .]" 1
342 1 18 GLU HB2 1 19 ALA H 1.800 . 5.500 3.267 2.272 4.067 . 0 0 "[ . 1 . 2 .]" 1
343 1 18 GLU HB2 1 36 TYR QE 1.800 . 7.900 5.657 3.315 7.004 . 0 0 "[ . 1 . 2 .]" 1
344 1 18 GLU HB3 1 19 ALA H 1.800 . 5.500 2.956 2.309 3.654 . 0 0 "[ . 1 . 2 .]" 1
345 1 18 GLU HB3 1 36 TYR QE 1.800 . 7.900 4.844 3.376 5.869 . 0 0 "[ . 1 . 2 .]" 1
346 1 18 GLU QG 1 36 TYR QE 1.800 . 8.900 5.010 1.973 7.203 . 0 0 "[ . 1 . 2 .]" 1
347 1 19 ALA H 1 20 MET H 1.800 . 4.000 2.879 2.625 3.041 . 0 0 "[ . 1 . 2 .]" 1
348 1 19 ALA H 1 21 GLU H 1.800 . 5.500 4.026 3.789 4.332 . 0 0 "[ . 1 . 2 .]" 1
349 1 19 ALA H 1 36 TYR QE 1.800 . 7.900 4.446 3.083 5.470 . 0 0 "[ . 1 . 2 .]" 1
350 1 19 ALA HA 1 20 MET H 1.800 . 5.500 3.595 3.567 3.611 . 0 0 "[ . 1 . 2 .]" 1
351 1 19 ALA HA 1 21 GLU H 1.800 . 5.500 4.466 4.146 4.781 . 0 0 "[ . 1 . 2 .]" 1
352 1 19 ALA HA 1 22 LYS H 1.800 . 5.500 3.708 3.373 4.005 . 0 0 "[ . 1 . 2 .]" 1
353 1 19 ALA HA 1 22 LYS QB 1.800 . 5.000 3.003 2.471 3.483 . 0 0 "[ . 1 . 2 .]" 1
354 1 19 ALA HA 1 23 LEU H 1.800 . 5.500 4.367 3.993 4.701 . 0 0 "[ . 1 . 2 .]" 1
355 1 19 ALA HA 1 36 TYR QD 1.800 . 7.900 3.968 3.192 4.695 . 0 0 "[ . 1 . 2 .]" 1
356 1 19 ALA HA 1 36 TYR QE 1.800 . 7.900 2.639 1.918 3.800 . 0 0 "[ . 1 . 2 .]" 1
357 1 19 ALA HA 1 89 ILE MD 1.800 . 6.500 4.573 3.488 5.362 . 0 0 "[ . 1 . 2 .]" 1
358 1 19 ALA MB 1 20 MET H 1.800 . 6.500 2.227 1.948 2.566 . 0 0 "[ . 1 . 2 .]" 1
359 1 19 ALA MB 1 22 LYS H 1.800 . 6.500 4.682 4.283 4.917 . 0 0 "[ . 1 . 2 .]" 1
360 1 19 ALA MB 1 32 VAL MG1 1.800 . 7.500 3.606 2.906 5.024 . 0 0 "[ . 1 . 2 .]" 1
361 1 19 ALA MB 1 32 VAL MG2 1.800 . 7.500 4.809 3.008 5.060 . 0 0 "[ . 1 . 2 .]" 1
362 1 19 ALA MB 1 36 TYR QD 1.800 . 8.900 3.202 2.176 3.970 . 0 0 "[ . 1 . 2 .]" 1
363 1 19 ALA MB 1 36 TYR QE 1.800 . 8.900 2.973 1.833 4.140 . 0 0 "[ . 1 . 2 .]" 1
364 1 19 ALA MB 1 89 ILE MD 1.800 . 7.500 2.630 1.646 3.692 0.154 20 0 "[ . 1 . 2 .]" 1
365 1 20 MET H 1 20 MET QG 1.800 . 6.500 2.313 1.808 3.945 . 0 0 "[ . 1 . 2 .]" 1
366 1 20 MET H 1 21 GLU H 1.800 . 4.000 2.709 2.520 2.818 . 0 0 "[ . 1 . 2 .]" 1
367 1 20 MET H 1 21 GLU HA 1.800 . 5.500 5.358 5.168 5.462 . 0 0 "[ . 1 . 2 .]" 1
368 1 20 MET H 1 22 LYS H 1.800 . 5.500 4.286 3.947 4.642 . 0 0 "[ . 1 . 2 .]" 1
369 1 20 MET HA 1 21 GLU H 1.800 . 5.500 3.554 3.492 3.593 . 0 0 "[ . 1 . 2 .]" 1
370 1 20 MET HA 1 23 LEU H 1.800 . 4.000 3.453 2.974 3.944 . 0 0 "[ . 1 . 2 .]" 1
371 1 20 MET HA 1 23 LEU QB 1.800 . 5.000 3.329 1.750 4.562 0.050 10 0 "[ . 1 . 2 .]" 1
372 1 20 MET HA 1 24 LYS H 1.800 . 5.500 4.101 3.137 4.657 . 0 0 "[ . 1 . 2 .]" 1
373 1 20 MET HA 1 89 ILE MG 1.800 . 6.500 3.920 2.952 4.622 . 0 0 "[ . 1 . 2 .]" 1
374 1 20 MET HB2 1 21 GLU H 1.800 . 5.500 3.824 2.581 4.077 . 0 0 "[ . 1 . 2 .]" 1
375 1 20 MET HB2 1 79 PRO HA 1.800 . 5.500 4.856 4.173 5.567 0.067 9 0 "[ . 1 . 2 .]" 1
376 1 20 MET HB2 1 89 ILE MG 1.800 . 6.500 4.708 3.219 5.390 . 0 0 "[ . 1 . 2 .]" 1
377 1 20 MET HB3 1 21 GLU H 1.800 . 5.500 3.735 2.684 4.070 . 0 0 "[ . 1 . 2 .]" 1
378 1 20 MET HB3 1 79 PRO HA 1.800 . 5.500 5.046 4.146 5.621 0.121 9 0 "[ . 1 . 2 .]" 1
379 1 20 MET HB3 1 89 ILE HG12 1.800 . 5.500 4.997 3.915 5.623 0.123 10 0 "[ . 1 . 2 .]" 1
380 1 20 MET HB3 1 89 ILE MG 1.800 . 6.500 4.299 1.844 5.280 . 0 0 "[ . 1 . 2 .]" 1
381 1 21 GLU H 1 22 LYS H 1.800 . 4.000 2.678 2.462 2.993 . 0 0 "[ . 1 . 2 .]" 1
382 1 21 GLU H 1 23 LEU H 1.800 . 5.500 4.130 3.563 4.592 . 0 0 "[ . 1 . 2 .]" 1
383 1 21 GLU HA 1 22 LYS H 1.800 . 5.500 3.556 3.424 3.614 . 0 0 "[ . 1 . 2 .]" 1
384 1 21 GLU HA 1 24 LYS H 1.800 . 4.000 3.582 3.244 4.007 0.007 12 0 "[ . 1 . 2 .]" 1
385 1 21 GLU HA 1 24 LYS HB3 1.800 . 5.500 4.877 2.787 5.617 0.117 1 0 "[ . 1 . 2 .]" 1
386 1 21 GLU QB 1 22 LYS H 1.800 . 5.000 2.566 2.225 3.562 . 0 0 "[ . 1 . 2 .]" 1
387 1 21 GLU QB 1 23 LEU H 1.800 . 6.500 4.688 4.211 5.422 . 0 0 "[ . 1 . 2 .]" 1
388 1 21 GLU HG2 1 22 LYS H 1.800 . 5.500 4.128 2.492 5.143 . 0 0 "[ . 1 . 2 .]" 1
389 1 22 LYS H 1 22 LYS QD 1.800 . 6.500 4.074 3.515 4.519 . 0 0 "[ . 1 . 2 .]" 1
390 1 22 LYS H 1 22 LYS QE 1.800 . 6.500 5.006 4.063 5.879 . 0 0 "[ . 1 . 2 .]" 1
391 1 22 LYS H 1 22 LYS QG 1.800 . 6.500 3.022 2.214 3.975 . 0 0 "[ . 1 . 2 .]" 1
392 1 22 LYS H 1 23 LEU H 1.800 . 4.000 2.585 2.159 2.907 . 0 0 "[ . 1 . 2 .]" 1
393 1 22 LYS H 1 23 LEU HA 1.800 . 5.500 5.261 4.820 5.503 0.003 25 0 "[ . 1 . 2 .]" 1
394 1 22 LYS H 1 23 LEU QB 1.800 . 6.500 4.489 3.656 5.250 . 0 0 "[ . 1 . 2 .]" 1
395 1 22 LYS H 1 24 LYS H 1.800 . 5.500 3.935 3.577 4.856 . 0 0 "[ . 1 . 2 .]" 1
396 1 22 LYS H 1 32 VAL MG1 1.800 . 6.500 4.690 3.507 5.409 . 0 0 "[ . 1 . 2 .]" 1
397 1 22 LYS H 1 32 VAL MG2 1.800 . 6.500 4.439 3.504 5.446 . 0 0 "[ . 1 . 2 .]" 1
398 1 22 LYS HA 1 23 LEU H 1.800 . 5.500 3.545 3.400 3.602 . 0 0 "[ . 1 . 2 .]" 1
399 1 22 LYS QB 1 23 LEU H 1.800 . 5.000 2.570 2.273 2.953 . 0 0 "[ . 1 . 2 .]" 1
400 1 22 LYS QB 1 32 VAL MG1 1.800 . 7.500 3.040 1.784 3.870 0.016 6 0 "[ . 1 . 2 .]" 1
401 1 22 LYS QB 1 32 VAL MG2 1.800 . 7.500 2.506 1.824 4.140 . 0 0 "[ . 1 . 2 .]" 1
402 1 22 LYS QD 1 32 VAL MG2 1.800 . 7.500 3.752 2.178 5.658 . 0 0 "[ . 1 . 2 .]" 1
403 1 22 LYS QD 1 36 TYR QE 1.800 . 8.900 3.661 2.131 5.297 . 0 0 "[ . 1 . 2 .]" 1
404 1 22 LYS QG 1 36 TYR QE 1.800 . 8.900 3.841 2.436 5.424 . 0 0 "[ . 1 . 2 .]" 1
405 1 23 LEU H 1 23 LEU QB 1.800 . 5.800 2.304 1.953 2.927 . 0 0 "[ . 1 . 2 .]" 1
406 1 23 LEU H 1 23 LEU HG 1.800 . 5.500 3.061 1.761 4.542 0.039 13 0 "[ . 1 . 2 .]" 1
407 1 23 LEU H 1 24 LYS H 1.800 . 4.000 2.515 2.263 3.105 . 0 0 "[ . 1 . 2 .]" 1
408 1 23 LEU H 1 32 VAL HB 1.800 . 5.500 5.031 3.231 5.550 0.050 13 0 "[ . 1 . 2 .]" 1
409 1 23 LEU H 1 32 VAL MG1 1.800 . 6.500 3.381 2.294 4.092 . 0 0 "[ . 1 . 2 .]" 1
410 1 23 LEU H 1 32 VAL MG2 1.800 . 6.500 3.000 2.383 4.123 . 0 0 "[ . 1 . 2 .]" 1
411 1 23 LEU HA 1 23 LEU MD1 1.800 . 5.800 3.042 1.874 3.880 . 0 0 "[ . 1 . 2 .]" 1
412 1 23 LEU HA 1 23 LEU MD2 1.800 . 6.500 3.805 2.051 4.138 . 0 0 "[ . 1 . 2 .]" 1
413 1 23 LEU HA 1 24 LYS H 1.800 . 5.500 3.419 2.987 3.592 . 0 0 "[ . 1 . 2 .]" 1
414 1 23 LEU MD1 1 24 LYS H 1.800 . 6.500 3.659 2.054 4.690 . 0 0 "[ . 1 . 2 .]" 1
415 1 23 LEU MD1 1 25 SER H 1.800 . 6.500 4.810 4.057 5.425 . 0 0 "[ . 1 . 2 .]" 1
416 1 23 LEU MD1 1 29 PHE H 1.800 . 6.500 4.608 3.100 5.412 . 0 0 "[ . 1 . 2 .]" 1
417 1 23 LEU MD1 1 29 PHE QD 1.800 . 8.900 2.319 1.704 4.116 0.096 11 0 "[ . 1 . 2 .]" 1
418 1 23 LEU MD1 1 29 PHE QE 1.800 . 8.900 3.259 1.992 5.373 . 0 0 "[ . 1 . 2 .]" 1
419 1 23 LEU MD1 1 32 VAL HB 1.800 . 6.500 4.206 2.390 5.424 . 0 0 "[ . 1 . 2 .]" 1
420 1 23 LEU MD1 1 32 VAL MG1 1.800 . 6.000 3.483 1.996 4.075 . 0 0 "[ . 1 . 2 .]" 1
421 1 23 LEU MD1 1 32 VAL MG2 1.800 . 6.000 3.585 2.371 4.101 . 0 0 "[ . 1 . 2 .]" 1
422 1 23 LEU MD1 1 76 PHE HB3 1.800 . 6.500 4.378 3.346 5.348 . 0 0 "[ . 1 . 2 .]" 1
423 1 23 LEU MD1 1 76 PHE QD 1.800 . 8.900 3.300 1.906 4.195 . 0 0 "[ . 1 . 2 .]" 1
424 1 23 LEU MD1 1 76 PHE QE 1.800 . 8.900 2.954 1.842 3.835 . 0 0 "[ . 1 . 2 .]" 1
425 1 23 LEU MD1 1 76 PHE HZ 1.800 . 5.000 3.680 2.822 4.237 . 0 0 "[ . 1 . 2 .]" 1
426 1 23 LEU MD1 1 89 ILE HG12 1.800 . 6.500 4.532 3.447 5.434 . 0 0 "[ . 1 . 2 .]" 1
427 1 23 LEU MD1 1 89 ILE HG13 1.800 . 6.500 5.031 4.080 5.404 . 0 0 "[ . 1 . 2 .]" 1
428 1 23 LEU MD2 1 29 PHE HA 1.800 . 6.500 4.119 2.172 5.378 . 0 0 "[ . 1 . 2 .]" 1
429 1 23 LEU MD2 1 29 PHE QD 1.800 . 8.900 3.316 1.739 4.300 0.061 13 0 "[ . 1 . 2 .]" 1
430 1 23 LEU MD2 1 29 PHE QE 1.800 . 8.900 3.441 1.970 4.802 . 0 0 "[ . 1 . 2 .]" 1
431 1 23 LEU MD2 1 32 VAL HB 1.800 . 6.500 3.907 2.565 5.299 . 0 0 "[ . 1 . 2 .]" 1
432 1 23 LEU MD2 1 32 VAL MG1 1.800 . 7.500 2.629 1.675 3.942 0.125 16 0 "[ . 1 . 2 .]" 1
433 1 23 LEU MD2 1 32 VAL MG2 1.800 . 7.500 3.411 1.704 4.760 0.096 10 0 "[ . 1 . 2 .]" 1
434 1 23 LEU MD2 1 76 PHE HB2 1.800 . 6.500 4.792 3.708 5.339 . 0 0 "[ . 1 . 2 .]" 1
435 1 23 LEU MD2 1 76 PHE HB3 1.800 . 6.500 4.884 3.058 5.370 . 0 0 "[ . 1 . 2 .]" 1
436 1 23 LEU MD2 1 76 PHE QD 1.800 . 8.900 3.800 1.956 4.835 . 0 0 "[ . 1 . 2 .]" 1
437 1 23 LEU MD2 1 76 PHE QE 1.800 . 8.900 3.440 1.725 4.874 0.075 8 0 "[ . 1 . 2 .]" 1
438 1 23 LEU MD2 1 76 PHE HZ 1.800 . 6.500 4.036 1.766 5.545 0.034 13 0 "[ . 1 . 2 .]" 1
439 1 23 LEU MD2 1 89 ILE HG12 1.800 . 5.000 3.266 1.778 4.004 0.022 4 0 "[ . 1 . 2 .]" 1
440 1 23 LEU MD2 1 89 ILE HG13 1.800 . 6.500 3.887 2.356 4.990 . 0 0 "[ . 1 . 2 .]" 1
441 1 23 LEU HG 1 24 LYS HA 1.800 . 5.500 4.235 3.529 5.620 0.120 10 0 "[ . 1 . 2 .]" 1
442 1 23 LEU HG 1 32 VAL HB 1.800 . 5.500 5.380 4.398 5.630 0.130 24 0 "[ . 1 . 2 .]" 1
443 1 23 LEU HG 1 32 VAL MG2 1.800 . 6.500 4.129 2.643 4.943 . 0 0 "[ . 1 . 2 .]" 1
444 1 24 LYS HA 1 25 SER H 1.800 . 5.500 2.981 2.242 3.584 . 0 0 "[ . 1 . 2 .]" 1
445 1 24 LYS HB2 1 25 SER H 1.800 . 5.500 2.870 1.806 4.253 . 0 0 "[ . 1 . 2 .]" 1
446 1 24 LYS HB2 1 27 MET H 1.800 . 5.500 4.515 2.913 5.632 0.132 13 0 "[ . 1 . 2 .]" 1
447 1 24 LYS HB2 1 27 MET QB 1.800 . 6.500 4.337 3.275 5.375 . 0 0 "[ . 1 . 2 .]" 1
448 1 24 LYS HB3 1 27 MET H 1.800 . 5.500 4.868 2.886 5.541 0.041 11 0 "[ . 1 . 2 .]" 1
449 1 24 LYS QE 1 25 SER H 1.800 . 6.500 4.698 2.106 5.729 . 0 0 "[ . 1 . 2 .]" 1
450 1 24 LYS QG 1 25 SER H 1.800 . 6.500 3.492 1.916 4.576 . 0 0 "[ . 1 . 2 .]" 1
451 1 25 SER H 1 26 GLY H 1.800 . 5.500 3.213 2.011 4.688 . 0 0 "[ . 1 . 2 .]" 1
452 1 25 SER H 1 27 MET QB 1.800 . 6.500 4.761 3.334 5.722 . 0 0 "[ . 1 . 2 .]" 1
453 1 26 GLY H 1 27 MET H 1.800 . 5.500 2.298 1.847 3.070 . 0 0 "[ . 1 . 2 .]" 1
454 1 26 GLY H 1 27 MET HA 1.800 . 5.500 4.909 4.567 5.510 0.010 16 0 "[ . 1 . 2 .]" 1
455 1 26 GLY H 1 27 MET QB 1.800 . 6.500 4.101 3.451 5.149 . 0 0 "[ . 1 . 2 .]" 1
456 1 26 GLY HA2 1 27 MET H 1.800 . 5.500 3.355 2.930 3.572 . 0 0 "[ . 1 . 2 .]" 1
457 1 27 MET H 1 28 ARG H 1.800 . 5.500 3.606 2.564 4.664 . 0 0 "[ . 1 . 2 .]" 1
458 1 27 MET HA 1 28 ARG H 1.800 . 5.500 3.065 2.277 3.585 . 0 0 "[ . 1 . 2 .]" 1
459 1 27 MET HA 1 29 PHE H 1.800 . 5.500 4.697 3.950 5.624 0.124 10 0 "[ . 1 . 2 .]" 1
460 1 27 MET QB 1 28 ARG H 1.800 . 6.500 2.701 1.954 3.566 . 0 0 "[ . 1 . 2 .]" 1
461 1 27 MET HG2 1 28 ARG H 1.800 . 5.500 4.085 1.898 5.043 . 0 0 "[ . 1 . 2 .]" 1
462 1 27 MET HG3 1 28 ARG H 1.800 . 5.500 4.080 1.850 5.249 . 0 0 "[ . 1 . 2 .]" 1
463 1 28 ARG H 1 28 ARG QD 1.800 . 6.500 3.717 1.813 4.707 . 0 0 "[ . 1 . 2 .]" 1
464 1 28 ARG H 1 29 PHE H 1.800 . 5.500 3.348 2.409 4.380 . 0 0 "[ . 1 . 2 .]" 1
465 1 28 ARG H 1 30 ASN H 1.800 . 5.500 5.314 4.955 5.529 0.029 12 0 "[ . 1 . 2 .]" 1
466 1 28 ARG HA 1 29 PHE H 1.800 . 4.000 2.708 2.144 3.235 . 0 0 "[ . 1 . 2 .]" 1
467 1 28 ARG HA 1 30 ASN H 1.800 . 5.500 3.655 3.362 3.915 . 0 0 "[ . 1 . 2 .]" 1
468 1 28 ARG HA 1 31 GLU H 1.800 . 5.500 3.670 2.941 4.693 . 0 0 "[ . 1 . 2 .]" 1
469 1 28 ARG QB 1 29 PHE H 1.800 . 6.500 3.751 3.469 4.044 . 0 0 "[ . 1 . 2 .]" 1
470 1 28 ARG QB 1 31 GLU HA 1.800 . 6.500 4.817 3.482 5.661 . 0 0 "[ . 1 . 2 .]" 1
471 1 28 ARG QB 1 32 VAL H 1.800 . 6.500 3.610 2.789 5.030 . 0 0 "[ . 1 . 2 .]" 1
472 1 28 ARG QD 1 29 PHE H 1.800 . 6.500 5.626 5.207 5.862 . 0 0 "[ . 1 . 2 .]" 1
473 1 28 ARG HG2 1 29 PHE H 1.800 . 5.500 5.072 3.757 5.571 0.071 2 0 "[ . 1 . 2 .]" 1
474 1 28 ARG HG2 1 31 GLU HA 1.800 . 5.500 5.181 3.984 5.552 0.052 15 0 "[ . 1 . 2 .]" 1
475 1 28 ARG HG3 1 29 PHE H 1.800 . 5.500 4.677 3.462 5.571 0.071 22 0 "[ . 1 . 2 .]" 1
476 1 29 PHE H 1 29 PHE QD 1.800 . 7.900 4.089 3.943 4.151 . 0 0 "[ . 1 . 2 .]" 1
477 1 29 PHE H 1 30 ASN H 1.800 . 4.000 2.891 2.753 3.007 . 0 0 "[ . 1 . 2 .]" 1
478 1 29 PHE H 1 30 ASN HA 1.800 . 5.500 5.505 5.414 5.581 0.081 19 0 "[ . 1 . 2 .]" 1
479 1 29 PHE H 1 31 GLU H 1.800 . 5.500 4.367 4.123 4.878 . 0 0 "[ . 1 . 2 .]" 1
480 1 29 PHE HA 1 30 ASN H 1.800 . 5.500 3.562 3.515 3.593 . 0 0 "[ . 1 . 2 .]" 1
481 1 29 PHE HA 1 32 VAL H 1.800 . 5.500 3.570 3.220 3.989 . 0 0 "[ . 1 . 2 .]" 1
482 1 29 PHE HA 1 32 VAL HB 1.800 . 5.500 2.901 2.223 4.685 . 0 0 "[ . 1 . 2 .]" 1
483 1 29 PHE HA 1 32 VAL MG1 1.800 . 6.500 3.771 2.253 4.788 . 0 0 "[ . 1 . 2 .]" 1
484 1 29 PHE HA 1 33 ALA H 1.800 . 5.500 3.905 3.209 4.438 . 0 0 "[ . 1 . 2 .]" 1
485 1 29 PHE QB 1 30 ASN H 1.800 . 5.000 2.492 2.269 2.933 . 0 0 "[ . 1 . 2 .]" 1
486 1 29 PHE QD 1 30 ASN H 1.800 . 7.900 3.578 3.172 4.045 . 0 0 "[ . 1 . 2 .]" 1
487 1 29 PHE QD 1 30 ASN HA 1.800 . 7.900 3.515 2.770 4.597 . 0 0 "[ . 1 . 2 .]" 1
488 1 29 PHE QD 1 33 ALA H 1.800 . 7.900 4.600 3.507 5.254 . 0 0 "[ . 1 . 2 .]" 1
489 1 29 PHE QD 1 33 ALA HA 1.800 . 7.900 5.864 4.929 6.442 . 0 0 "[ . 1 . 2 .]" 1
490 1 29 PHE QD 1 33 ALA MB 1.800 . 8.900 3.642 3.023 4.167 . 0 0 "[ . 1 . 2 .]" 1
491 1 29 PHE QE 1 30 ASN H 1.800 . 7.900 5.677 5.397 5.957 . 0 0 "[ . 1 . 2 .]" 1
492 1 29 PHE QE 1 33 ALA H 1.800 . 7.900 5.206 4.466 5.898 . 0 0 "[ . 1 . 2 .]" 1
493 1 29 PHE QE 1 33 ALA HA 1.800 . 7.900 5.428 4.449 6.207 . 0 0 "[ . 1 . 2 .]" 1
494 1 29 PHE QE 1 33 ALA MB 1.800 . 8.900 3.455 2.781 4.169 . 0 0 "[ . 1 . 2 .]" 1
495 1 29 PHE QE 1 89 ILE MG 1.800 . 8.900 3.673 1.867 5.851 . 0 0 "[ . 1 . 2 .]" 1
496 1 29 PHE QE 1 90 ILE HA 1.800 . 7.900 4.715 3.785 5.358 . 0 0 "[ . 1 . 2 .]" 1
497 1 29 PHE QE 1 91 MET HG2 1.800 . 7.900 4.083 2.996 5.327 . 0 0 "[ . 1 . 2 .]" 1
498 1 29 PHE HZ 1 91 MET HB2 1.800 . 5.500 4.019 2.488 5.547 0.047 16 0 "[ . 1 . 2 .]" 1
499 1 29 PHE HZ 1 91 MET HG2 1.800 . 5.500 4.828 3.170 5.511 0.011 24 0 "[ . 1 . 2 .]" 1
500 1 30 ASN H 1 31 GLU H 1.800 . 4.000 2.709 2.478 2.971 . 0 0 "[ . 1 . 2 .]" 1
501 1 30 ASN HA 1 31 GLU H 1.800 . 5.500 3.567 3.536 3.602 . 0 0 "[ . 1 . 2 .]" 1
502 1 30 ASN HA 1 32 VAL H 1.800 . 5.500 4.625 4.240 5.021 . 0 0 "[ . 1 . 2 .]" 1
503 1 30 ASN HA 1 33 ALA H 1.800 . 5.500 3.710 3.384 4.226 . 0 0 "[ . 1 . 2 .]" 1
504 1 30 ASN HA 1 33 ALA MB 1.800 . 6.500 2.704 2.172 3.450 . 0 0 "[ . 1 . 2 .]" 1
505 1 30 ASN HA 1 34 ALA H 1.800 . 5.500 3.920 3.438 4.464 . 0 0 "[ . 1 . 2 .]" 1
506 1 30 ASN HD21 1 31 GLU QB 1.800 . 6.500 4.819 3.069 5.816 . 0 0 "[ . 1 . 2 .]" 1
507 1 30 ASN HD22 1 31 GLU QG 1.800 . 6.500 4.746 2.402 5.836 . 0 0 "[ . 1 . 2 .]" 1
508 1 31 GLU H 1 32 VAL H 1.800 . 4.000 2.715 2.565 2.885 . 0 0 "[ . 1 . 2 .]" 1
509 1 31 GLU H 1 33 ALA H 1.800 . 5.500 4.267 3.860 4.845 . 0 0 "[ . 1 . 2 .]" 1
510 1 31 GLU HA 1 32 VAL H 1.800 . 5.500 3.577 3.537 3.623 . 0 0 "[ . 1 . 2 .]" 1
511 1 31 GLU HA 1 33 ALA H 1.800 . 5.500 4.701 4.200 5.356 . 0 0 "[ . 1 . 2 .]" 1
512 1 31 GLU HA 1 34 ALA H 1.800 . 4.000 3.768 3.332 4.018 0.018 1 0 "[ . 1 . 2 .]" 1
513 1 31 GLU HA 1 34 ALA MB 1.800 . 5.000 2.739 2.249 3.158 . 0 0 "[ . 1 . 2 .]" 1
514 1 31 GLU QB 1 32 VAL H 1.800 . 5.000 2.404 2.087 2.654 . 0 0 "[ . 1 . 2 .]" 1
515 1 31 GLU QG 1 32 VAL H 1.800 . 6.500 3.875 3.372 4.362 . 0 0 "[ . 1 . 2 .]" 1
516 1 31 GLU QG 1 34 ALA H 1.800 . 6.500 5.463 4.775 5.740 . 0 0 "[ . 1 . 2 .]" 1
517 1 32 VAL H 1 32 VAL MG1 1.800 . 5.800 3.501 1.916 3.728 . 0 0 "[ . 1 . 2 .]" 1
518 1 32 VAL H 1 33 ALA H 1.800 . 4.000 2.766 2.573 3.056 . 0 0 "[ . 1 . 2 .]" 1
519 1 32 VAL HA 1 33 ALA H 1.800 . 5.500 3.575 3.511 3.597 . 0 0 "[ . 1 . 2 .]" 1
520 1 32 VAL HA 1 35 GLN H 1.800 . 5.500 3.678 3.362 3.949 . 0 0 "[ . 1 . 2 .]" 1
521 1 32 VAL HA 1 36 TYR H 1.800 . 5.500 4.194 3.675 4.581 . 0 0 "[ . 1 . 2 .]" 1
522 1 32 VAL HA 1 36 TYR QD 1.800 . 6.400 3.173 1.942 4.197 . 0 0 "[ . 1 . 2 .]" 1
523 1 32 VAL HA 1 36 TYR QE 1.800 . 7.900 3.411 2.437 4.305 . 0 0 "[ . 1 . 2 .]" 1
524 1 32 VAL HB 1 33 ALA H 1.800 . 4.000 2.577 1.981 3.786 . 0 0 "[ . 1 . 2 .]" 1
525 1 32 VAL HB 1 34 ALA H 1.800 . 5.500 5.134 4.611 5.609 0.109 9 0 "[ . 1 . 2 .]" 1
526 1 32 VAL HB 1 36 TYR QD 1.800 . 7.900 4.387 1.848 6.053 . 0 0 "[ . 1 . 2 .]" 1
527 1 32 VAL MG1 1 33 ALA H 1.800 . 6.500 3.138 1.934 3.867 . 0 0 "[ . 1 . 2 .]" 1
528 1 32 VAL MG1 1 35 GLN H 1.800 . 6.500 4.804 4.407 5.305 . 0 0 "[ . 1 . 2 .]" 1
529 1 32 VAL MG2 1 33 ALA H 1.800 . 6.500 3.685 1.750 4.110 0.050 6 0 "[ . 1 . 2 .]" 1
530 1 32 VAL MG2 1 35 GLN H 1.800 . 6.500 5.246 4.790 5.415 . 0 0 "[ . 1 . 2 .]" 1
531 1 32 VAL MG2 1 36 TYR QE 1.800 . 8.900 3.481 1.898 4.320 . 0 0 "[ . 1 . 2 .]" 1
532 1 33 ALA H 1 34 ALA H 1.800 . 4.000 2.829 2.581 3.101 . 0 0 "[ . 1 . 2 .]" 1
533 1 33 ALA H 1 35 GLN H 1.800 . 5.500 4.312 3.896 4.754 . 0 0 "[ . 1 . 2 .]" 1
534 1 33 ALA H 1 36 TYR H 1.800 . 5.500 4.612 4.399 5.099 . 0 0 "[ . 1 . 2 .]" 1
535 1 33 ALA HA 1 34 ALA H 1.800 . 5.500 3.576 3.536 3.597 . 0 0 "[ . 1 . 2 .]" 1
536 1 33 ALA HA 1 36 TYR H 1.800 . 5.500 3.336 3.031 3.579 . 0 0 "[ . 1 . 2 .]" 1
537 1 33 ALA HA 1 37 SER H 1.800 . 5.500 4.298 3.849 4.537 . 0 0 "[ . 1 . 2 .]" 1
538 1 33 ALA MB 1 34 ALA H 1.800 . 5.000 2.311 2.002 2.590 . 0 0 "[ . 1 . 2 .]" 1
539 1 33 ALA MB 1 36 TYR H 1.800 . 6.500 4.416 4.171 4.745 . 0 0 "[ . 1 . 2 .]" 1
540 1 33 ALA MB 1 37 SER H 1.800 . 6.500 4.882 4.665 5.053 . 0 0 "[ . 1 . 2 .]" 1
541 1 33 ALA MB 1 45 GLY HA3 1.800 . 6.500 4.050 2.105 5.294 . 0 0 "[ . 1 . 2 .]" 1
542 1 34 ALA H 1 35 GLN H 1.800 . 4.000 2.881 2.712 3.076 . 0 0 "[ . 1 . 2 .]" 1
543 1 34 ALA H 1 36 TYR H 1.800 . 5.500 4.031 3.666 4.997 . 0 0 "[ . 1 . 2 .]" 1
544 1 34 ALA HA 1 35 GLN H 1.800 . 5.500 3.574 3.487 3.599 . 0 0 "[ . 1 . 2 .]" 1
545 1 34 ALA MB 1 35 GLN H 1.800 . 5.000 2.461 2.198 2.952 . 0 0 "[ . 1 . 2 .]" 1
546 1 34 ALA MB 1 36 TYR H 1.800 . 6.500 4.291 3.933 5.061 . 0 0 "[ . 1 . 2 .]" 1
547 1 35 GLN H 1 36 TYR H 1.800 . 4.000 2.477 2.101 2.784 . 0 0 "[ . 1 . 2 .]" 1
548 1 35 GLN H 1 36 TYR QE 1.800 . 7.900 5.374 4.498 5.957 . 0 0 "[ . 1 . 2 .]" 1
549 1 35 GLN H 1 37 SER H 1.800 . 5.500 4.081 3.551 4.279 . 0 0 "[ . 1 . 2 .]" 1
550 1 35 GLN HA 1 35 GLN HE22 1.800 . 5.500 3.122 2.697 5.155 . 0 0 "[ . 1 . 2 .]" 1
551 1 35 GLN HA 1 36 TYR H 1.800 . 5.500 3.480 3.268 3.623 . 0 0 "[ . 1 . 2 .]" 1
552 1 35 GLN HA 1 36 TYR QD 1.800 . 6.400 4.667 3.994 5.535 . 0 0 "[ . 1 . 2 .]" 1
553 1 35 GLN HA 1 36 TYR QE 1.800 . 7.900 5.714 4.972 6.560 . 0 0 "[ . 1 . 2 .]" 1
554 1 35 GLN HB2 1 35 GLN HE21 1.800 . 4.800 3.685 2.458 4.105 . 0 0 "[ . 1 . 2 .]" 1
555 1 35 GLN HB2 1 35 GLN HE22 1.800 . 4.800 4.567 3.503 4.977 0.177 17 0 "[ . 1 . 2 .]" 1
556 1 35 GLN HB2 1 36 TYR H 1.800 . 5.500 3.386 2.716 4.264 . 0 0 "[ . 1 . 2 .]" 1
557 1 35 GLN HB2 1 36 TYR QE 1.800 . 7.900 4.103 2.485 5.602 . 0 0 "[ . 1 . 2 .]" 1
558 1 35 GLN HB3 1 36 TYR H 1.800 . 5.500 3.534 2.149 4.354 . 0 0 "[ . 1 . 2 .]" 1
559 1 35 GLN HB3 1 36 TYR QD 1.800 . 7.900 3.409 2.009 4.453 . 0 0 "[ . 1 . 2 .]" 1
560 1 35 GLN HB3 1 36 TYR QE 1.800 . 7.900 3.632 2.345 4.408 . 0 0 "[ . 1 . 2 .]" 1
561 1 35 GLN HE21 1 37 SER H 1.800 . 5.500 4.872 4.042 5.385 . 0 0 "[ . 1 . 2 .]" 1
562 1 35 GLN HE21 1 37 SER QB 1.800 . 6.500 5.518 5.022 5.999 . 0 0 "[ . 1 . 2 .]" 1
563 1 35 GLN QG 1 36 TYR H 1.800 . 6.500 4.181 2.982 4.820 . 0 0 "[ . 1 . 2 .]" 1
564 1 35 GLN QG 1 36 TYR QD 1.800 . 8.900 4.202 2.630 5.156 . 0 0 "[ . 1 . 2 .]" 1
565 1 36 TYR H 1 36 TYR QD 1.800 . 7.500 2.916 1.854 3.478 . 0 0 "[ . 1 . 2 .]" 1
566 1 36 TYR H 1 37 SER H 1.800 . 4.000 2.488 1.971 3.171 . 0 0 "[ . 1 . 2 .]" 1
567 1 36 TYR HA 1 36 TYR QD 1.800 . 7.200 2.415 1.760 3.728 0.040 10 0 "[ . 1 . 2 .]" 1
568 1 36 TYR HB2 1 37 SER H 1.800 . 5.500 3.821 3.577 4.459 . 0 0 "[ . 1 . 2 .]" 1
569 1 36 TYR HB3 1 37 SER H 1.800 . 5.500 4.358 4.128 4.644 . 0 0 "[ . 1 . 2 .]" 1
570 1 36 TYR QD 1 37 SER H 1.800 . 7.900 4.568 4.259 4.912 . 0 0 "[ . 1 . 2 .]" 1
571 1 36 TYR QD 1 37 SER QB 1.800 . 8.900 5.792 5.146 6.200 . 0 0 "[ . 1 . 2 .]" 1
572 1 36 TYR QD 1 89 ILE MD 1.800 . 8.900 4.592 2.844 6.622 . 0 0 "[ . 1 . 2 .]" 1
573 1 36 TYR QE 1 89 ILE MD 1.800 . 9.200 5.189 3.303 6.847 . 0 0 "[ . 1 . 2 .]" 1
574 1 37 SER H 1 38 GLU H 1.800 . 5.500 4.235 3.815 4.555 . 0 0 "[ . 1 . 2 .]" 1
575 1 37 SER H 1 39 ASP H 1.800 . 5.500 5.531 5.435 5.590 0.090 2 0 "[ . 1 . 2 .]" 1
576 1 37 SER HA 1 38 GLU H 1.800 . 4.000 2.304 2.201 2.563 . 0 0 "[ . 1 . 2 .]" 1
577 1 37 SER HA 1 39 ASP H 1.800 . 5.500 3.283 3.069 3.631 . 0 0 "[ . 1 . 2 .]" 1
578 1 37 SER QB 1 38 GLU H 1.800 . 6.500 3.925 3.534 4.082 . 0 0 "[ . 1 . 2 .]" 1
579 1 37 SER QB 1 39 ASP H 1.800 . 6.500 3.987 3.041 4.406 . 0 0 "[ . 1 . 2 .]" 1
580 1 38 GLU H 1 39 ASP H 1.800 . 4.000 2.324 2.114 2.867 . 0 0 "[ . 1 . 2 .]" 1
581 1 38 GLU HA 1 39 ASP H 1.800 . 4.000 3.263 2.974 3.375 . 0 0 "[ . 1 . 2 .]" 1
582 1 38 GLU QB 1 39 ASP H 1.800 . 6.500 3.430 3.148 4.030 . 0 0 "[ . 1 . 2 .]" 1
583 1 38 GLU QG 1 39 ASP H 1.800 . 6.500 4.222 2.911 4.834 . 0 0 "[ . 1 . 2 .]" 1
584 1 39 ASP HA 1 40 LYS H 1.800 . 5.500 2.899 2.235 3.199 . 0 0 "[ . 1 . 2 .]" 1
585 1 39 ASP HA 1 42 ARG HB2 1.800 . 5.500 4.463 2.529 5.555 0.055 21 0 "[ . 1 . 2 .]" 1
586 1 39 ASP HA 1 42 ARG HB3 1.800 . 5.800 5.023 2.835 5.828 0.028 24 0 "[ . 1 . 2 .]" 1
587 1 40 LYS H 1 41 ALA H 1.800 . 5.500 2.772 2.529 3.005 . 0 0 "[ . 1 . 2 .]" 1
588 1 40 LYS HA 1 41 ALA H 1.800 . 5.500 3.539 3.442 3.595 . 0 0 "[ . 1 . 2 .]" 1
589 1 40 LYS HA 1 43 GLN H 1.800 . 5.500 3.768 2.871 4.975 . 0 0 "[ . 1 . 2 .]" 1
590 1 41 ALA H 1 42 ARG H 1.800 . 5.500 2.735 2.199 4.551 . 0 0 "[ . 1 . 2 .]" 1
591 1 42 ARG H 1 43 GLN HE21 1.800 . 5.500 5.239 4.093 5.529 0.029 6 0 "[ . 1 . 2 .]" 1
592 1 42 ARG HA 1 43 GLN H 1.800 . 5.500 3.430 3.067 3.600 . 0 0 "[ . 1 . 2 .]" 1
593 1 43 GLN HA 1 45 GLY H 1.800 . 5.500 4.525 3.272 5.523 0.023 19 0 "[ . 1 . 2 .]" 1
594 1 43 GLN QB 1 45 GLY H 1.800 . 6.500 4.178 2.390 5.898 . 0 0 "[ . 1 . 2 .]" 1
595 1 45 GLY H 1 46 ASP H 1.800 . 4.000 3.208 2.199 4.164 0.164 3 0 "[ . 1 . 2 .]" 1
596 1 45 GLY HA2 1 46 ASP H 1.800 . 5.500 3.429 3.042 3.597 . 0 0 "[ . 1 . 2 .]" 1
597 1 45 GLY HA3 1 46 ASP H 1.800 . 5.500 2.648 2.178 3.479 . 0 0 "[ . 1 . 2 .]" 1
598 1 46 ASP H 1 47 LEU H 1.800 . 5.500 4.461 4.094 4.666 . 0 0 "[ . 1 . 2 .]" 1
599 1 46 ASP HA 1 47 LEU H 1.800 . 4.000 2.269 2.215 2.498 . 0 0 "[ . 1 . 2 .]" 1
600 1 46 ASP HB2 1 47 LEU H 1.800 . 5.500 3.624 2.480 4.499 . 0 0 "[ . 1 . 2 .]" 1
601 1 46 ASP HB3 1 47 LEU H 1.800 . 5.500 3.908 2.739 4.421 . 0 0 "[ . 1 . 2 .]" 1
602 1 47 LEU H 1 48 GLY H 1.800 . 5.500 3.494 1.978 4.588 . 0 0 "[ . 1 . 2 .]" 1
603 1 47 LEU H 1 48 GLY HA2 1.800 . 5.500 4.848 4.384 5.304 . 0 0 "[ . 1 . 2 .]" 1
604 1 47 LEU HA 1 47 LEU MD1 1.800 . 5.800 2.845 1.811 4.099 . 0 0 "[ . 1 . 2 .]" 1
605 1 47 LEU HA 1 48 GLY H 1.800 . 5.500 2.795 2.216 3.542 . 0 0 "[ . 1 . 2 .]" 1
606 1 47 LEU QB 1 47 LEU MD2 1.800 . 7.500 2.064 1.911 2.105 . 0 0 "[ . 1 . 2 .]" 1
607 1 47 LEU QB 1 48 GLY H 1.800 . 6.500 3.123 2.330 3.850 . 0 0 "[ . 1 . 2 .]" 1
608 1 47 LEU QB 1 50 MET QG 1.800 . 7.500 4.330 2.607 5.819 . 0 0 "[ . 1 . 2 .]" 1
609 1 47 LEU MD1 1 59 PHE HZ 1.800 . 6.500 4.089 2.848 5.249 . 0 0 "[ . 1 . 2 .]" 1
610 1 47 LEU MD2 1 50 MET QG 1.800 . 7.500 4.128 2.538 5.427 . 0 0 "[ . 1 . 2 .]" 1
611 1 47 LEU MD2 1 59 PHE QD 1.800 . 8.900 4.829 3.925 6.155 . 0 0 "[ . 1 . 2 .]" 1
612 1 47 LEU MD2 1 59 PHE QE 1.800 . 8.900 3.050 2.051 4.390 . 0 0 "[ . 1 . 2 .]" 1
613 1 47 LEU MD2 1 59 PHE HZ 1.800 . 5.000 2.861 1.756 3.985 0.044 8 0 "[ . 1 . 2 .]" 1
614 1 48 GLY HA2 1 49 TRP H 1.800 . 4.000 3.084 2.715 3.322 . 0 0 "[ . 1 . 2 .]" 1
615 1 48 GLY HA3 1 49 TRP H 1.800 . 5.500 2.238 2.152 2.479 . 0 0 "[ . 1 . 2 .]" 1
616 1 49 TRP H 1 49 TRP HD1 1.800 . 5.500 3.663 1.975 5.230 . 0 0 "[ . 1 . 2 .]" 1
617 1 49 TRP H 1 50 MET H 1.800 . 5.500 4.530 4.289 4.648 . 0 0 "[ . 1 . 2 .]" 1
618 1 49 TRP HA 1 50 MET H 1.800 . 4.000 2.241 2.168 2.409 . 0 0 "[ . 1 . 2 .]" 1
619 1 49 TRP HB2 1 50 MET H 1.800 . 5.500 4.268 3.823 4.538 . 0 0 "[ . 1 . 2 .]" 1
620 1 49 TRP HB3 1 50 MET H 1.800 . 5.500 3.369 2.709 3.988 . 0 0 "[ . 1 . 2 .]" 1
621 1 50 MET H 1 51 THR H 1.800 . 5.500 4.389 4.147 4.503 . 0 0 "[ . 1 . 2 .]" 1
622 1 50 MET HA 1 51 THR H 1.800 . 4.000 2.290 2.215 2.452 . 0 0 "[ . 1 . 2 .]" 1
623 1 50 MET QB 1 51 THR H 1.800 . 6.500 3.208 2.322 3.917 . 0 0 "[ . 1 . 2 .]" 1
624 1 50 MET QB 1 52 ARG H 1.800 . 6.500 4.597 2.992 5.813 . 0 0 "[ . 1 . 2 .]" 1
625 1 50 MET QG 1 51 THR H 1.800 . 6.500 3.640 2.189 4.889 . 0 0 "[ . 1 . 2 .]" 1
626 1 50 MET QG 1 52 ARG H 1.800 . 6.500 4.721 2.509 5.907 . 0 0 "[ . 1 . 2 .]" 1
627 1 50 MET QG 1 64 PHE QD 1.800 . 8.900 5.080 1.888 6.768 . 0 0 "[ . 1 . 2 .]" 1
628 1 50 MET QG 1 64 PHE QE 1.800 . 8.900 3.471 2.566 5.070 . 0 0 "[ . 1 . 2 .]" 1
629 1 50 MET QG 1 64 PHE HZ 1.800 . 6.500 3.653 2.064 5.759 . 0 0 "[ . 1 . 2 .]" 1
630 1 51 THR H 1 52 ARG H 1.800 . 5.500 2.573 1.906 4.581 . 0 0 "[ . 1 . 2 .]" 1
631 1 51 THR H 1 52 ARG QG 1.800 . 6.500 4.737 2.859 6.001 . 0 0 "[ . 1 . 2 .]" 1
632 1 51 THR HA 1 52 ARG H 1.800 . 4.000 3.463 2.274 3.616 . 0 0 "[ . 1 . 2 .]" 1
633 1 51 THR HA 1 64 PHE QE 1.800 . 7.900 3.502 2.529 4.907 . 0 0 "[ . 1 . 2 .]" 1
634 1 51 THR HA 1 64 PHE HZ 1.800 . 5.500 2.922 1.829 4.121 . 0 0 "[ . 1 . 2 .]" 1
635 1 51 THR HB 1 52 ARG H 1.800 . 4.000 3.256 2.106 4.030 0.030 3 0 "[ . 1 . 2 .]" 1
636 1 51 THR HB 1 64 PHE HZ 1.800 . 5.500 5.051 3.834 5.553 0.053 7 0 "[ . 1 . 2 .]" 1
637 1 51 THR MG 1 52 ARG H 1.800 . 6.500 3.263 1.756 4.365 0.044 10 0 "[ . 1 . 2 .]" 1
638 1 52 ARG HA 1 53 GLY H 1.800 . 5.500 3.161 2.213 3.595 . 0 0 "[ . 1 . 2 .]" 1
639 1 52 ARG HA 1 60 GLN HE21 1.800 . 5.500 4.011 1.871 5.454 . 0 0 "[ . 1 . 2 .]" 1
640 1 52 ARG QB 1 53 GLY H 1.800 . 6.500 2.769 1.699 3.870 0.101 17 0 "[ . 1 . 2 .]" 1
641 1 52 ARG QB 1 64 PHE QE 1.800 . 8.900 5.046 1.889 6.625 . 0 0 "[ . 1 . 2 .]" 1
642 1 52 ARG QG 1 53 GLY H 1.800 . 6.500 3.600 1.846 4.538 . 0 0 "[ . 1 . 2 .]" 1
643 1 52 ARG QG 1 60 GLN HE21 1.800 . 6.500 4.793 1.858 5.861 . 0 0 "[ . 1 . 2 .]" 1
644 1 52 ARG QG 1 60 GLN HE22 1.800 . 6.500 4.886 2.627 5.921 . 0 0 "[ . 1 . 2 .]" 1
645 1 52 ARG QG 1 64 PHE QD 1.800 . 8.900 6.352 3.326 7.229 . 0 0 "[ . 1 . 2 .]" 1
646 1 52 ARG QG 1 64 PHE QE 1.800 . 8.900 5.245 2.849 5.870 . 0 0 "[ . 1 . 2 .]" 1
647 1 52 ARG QG 1 64 PHE HZ 1.800 . 6.500 5.597 4.970 5.925 . 0 0 "[ . 1 . 2 .]" 1
648 1 53 GLY QA 1 54 SER H 1.800 . 6.500 2.371 2.158 2.912 . 0 0 "[ . 1 . 2 .]" 1
649 1 53 GLY HA2 1 55 MET H 1.800 . 5.500 4.687 3.538 5.690 0.190 15 0 "[ . 1 . 2 .]" 1
650 1 53 GLY HA2 1 60 GLN HE21 1.800 . 5.500 4.070 2.123 5.262 . 0 0 "[ . 1 . 2 .]" 1
651 1 53 GLY HA2 1 60 GLN HE22 1.800 . 5.500 4.603 2.454 5.583 0.083 25 0 "[ . 1 . 2 .]" 1
652 1 53 GLY HA3 1 55 MET H 1.800 . 5.500 4.789 3.709 5.517 0.017 2 0 "[ . 1 . 2 .]" 1
653 1 53 GLY HA3 1 60 GLN HE21 1.800 . 5.500 3.611 1.882 5.413 . 0 0 "[ . 1 . 2 .]" 1
654 1 53 GLY HA3 1 60 GLN HE22 1.800 . 5.500 4.156 1.904 5.498 . 0 0 "[ . 1 . 2 .]" 1
655 1 54 SER H 1 55 MET H 1.800 . 5.500 2.851 1.852 4.347 . 0 0 "[ . 1 . 2 .]" 1
656 1 54 SER HA 1 55 MET H 1.800 . 5.500 3.021 2.205 3.607 . 0 0 "[ . 1 . 2 .]" 1
657 1 54 SER HB2 1 55 MET H 1.800 . 5.500 4.125 3.158 4.669 . 0 0 "[ . 1 . 2 .]" 1
658 1 54 SER HB3 1 55 MET H 1.800 . 5.500 3.655 1.899 4.681 . 0 0 "[ . 1 . 2 .]" 1
659 1 54 SER HB3 1 60 GLN QB 1.800 . 6.500 5.103 2.209 5.847 . 0 0 "[ . 1 . 2 .]" 1
660 1 54 SER HB3 1 60 GLN QG 1.800 . 6.500 5.017 2.232 5.854 . 0 0 "[ . 1 . 2 .]" 1
661 1 55 MET HA 1 56 VAL H 1.800 . 4.000 3.205 2.216 3.608 . 0 0 "[ . 1 . 2 .]" 1
662 1 55 MET QB 1 56 VAL H 1.800 . 6.500 2.400 1.745 3.698 0.055 13 0 "[ . 1 . 2 .]" 1
663 1 55 MET QB 1 59 PHE QD 1.800 . 8.900 3.447 1.785 5.654 0.015 15 0 "[ . 1 . 2 .]" 1
664 1 55 MET HG2 1 56 VAL H 1.800 . 5.500 4.112 1.886 5.296 . 0 0 "[ . 1 . 2 .]" 1
665 1 55 MET HG3 1 59 PHE QD 1.800 . 7.900 4.622 2.366 6.446 . 0 0 "[ . 1 . 2 .]" 1
666 1 56 VAL H 1 59 PHE HB2 1.800 . 5.500 4.631 2.225 5.580 0.080 3 0 "[ . 1 . 2 .]" 1
667 1 56 VAL H 1 59 PHE HB3 1.800 . 5.500 3.683 2.058 4.947 . 0 0 "[ . 1 . 2 .]" 1
668 1 56 VAL H 1 85 PHE QE 1.800 . 7.900 6.247 4.492 7.299 . 0 0 "[ . 1 . 2 .]" 1
669 1 56 VAL MG1 1 58 PRO QD 1.800 . 7.500 2.980 1.681 5.616 0.119 13 0 "[ . 1 . 2 .]" 1
670 1 56 VAL MG1 1 59 PHE QD 1.800 . 8.900 4.669 3.362 6.602 . 0 0 "[ . 1 . 2 .]" 1
671 1 56 VAL MG1 1 85 PHE QE 1.800 . 8.900 3.494 1.865 5.326 . 0 0 "[ . 1 . 2 .]" 1
672 1 56 VAL MG1 1 85 PHE HZ 1.800 . 6.500 3.419 2.111 5.491 . 0 0 "[ . 1 . 2 .]" 1
673 1 56 VAL MG2 1 58 PRO QD 1.800 . 7.500 3.494 1.673 5.470 0.127 6 0 "[ . 1 . 2 .]" 1
674 1 56 VAL MG2 1 59 PHE QD 1.800 . 8.900 4.417 2.089 6.643 . 0 0 "[ . 1 . 2 .]" 1
675 1 56 VAL MG2 1 85 PHE QE 1.800 . 8.900 3.632 2.447 5.613 . 0 0 "[ . 1 . 2 .]" 1
676 1 56 VAL MG2 1 85 PHE HZ 1.800 . 6.500 3.491 2.164 5.195 . 0 0 "[ . 1 . 2 .]" 1
677 1 58 PRO HA 1 59 PHE H 1.800 . 5.500 3.476 2.644 3.589 . 0 0 "[ . 1 . 2 .]" 1
678 1 58 PRO HA 1 61 GLU H 1.800 . 5.500 3.631 3.054 4.264 . 0 0 "[ . 1 . 2 .]" 1
679 1 58 PRO HA 1 61 GLU QB 1.800 . 6.500 2.657 1.802 3.801 . 0 0 "[ . 1 . 2 .]" 1
680 1 58 PRO HB2 1 59 PHE H 1.800 . 5.500 3.399 2.285 3.822 . 0 0 "[ . 1 . 2 .]" 1
681 1 58 PRO HB3 1 83 THR MG 1.800 . 6.500 4.876 4.023 5.446 . 0 0 "[ . 1 . 2 .]" 1
682 1 58 PRO QG 1 59 PHE H 1.800 . 6.500 2.603 2.058 3.902 . 0 0 "[ . 1 . 2 .]" 1
683 1 58 PRO QG 1 81 VAL MG1 1.800 . 7.500 4.657 2.353 5.454 . 0 0 "[ . 1 . 2 .]" 1
684 1 58 PRO QG 1 81 VAL MG2 1.800 . 7.500 4.819 2.845 5.533 . 0 0 "[ . 1 . 2 .]" 1
685 1 58 PRO QG 1 83 THR MG 1.800 . 7.500 3.079 1.983 3.894 . 0 0 "[ . 1 . 2 .]" 1
686 1 59 PHE H 1 59 PHE QD 1.800 . 7.900 4.133 4.040 4.365 . 0 0 "[ . 1 . 2 .]" 1
687 1 59 PHE H 1 60 GLN H 1.800 . 4.000 2.759 2.459 4.016 0.016 24 0 "[ . 1 . 2 .]" 1
688 1 59 PHE H 1 61 GLU H 1.800 . 5.500 4.134 3.670 4.563 . 0 0 "[ . 1 . 2 .]" 1
689 1 59 PHE H 1 83 THR MG 1.800 . 6.500 4.838 3.241 5.357 . 0 0 "[ . 1 . 2 .]" 1
690 1 59 PHE HA 1 59 PHE QD 1.800 . 7.900 2.646 2.002 3.047 . 0 0 "[ . 1 . 2 .]" 1
691 1 59 PHE HA 1 60 GLN H 1.800 . 5.500 3.572 3.509 3.597 . 0 0 "[ . 1 . 2 .]" 1
692 1 59 PHE HA 1 62 ALA H 1.800 . 5.500 3.972 3.678 4.437 . 0 0 "[ . 1 . 2 .]" 1
693 1 59 PHE HA 1 62 ALA MB 1.800 . 5.000 3.162 2.739 3.913 . 0 0 "[ . 1 . 2 .]" 1
694 1 59 PHE HA 1 63 ALA H 1.800 . 5.500 4.152 3.533 4.633 . 0 0 "[ . 1 . 2 .]" 1
695 1 59 PHE HA 1 83 THR MG 1.800 . 6.500 5.177 4.641 5.440 . 0 0 "[ . 1 . 2 .]" 1
696 1 59 PHE HA 1 90 ILE MD 1.800 . 6.500 3.851 2.654 4.663 . 0 0 "[ . 1 . 2 .]" 1
697 1 59 PHE QB 1 83 THR MG 1.800 . 7.500 4.270 3.593 4.787 . 0 0 "[ . 1 . 2 .]" 1
698 1 59 PHE QB 1 85 PHE HZ 1.800 . 6.500 4.211 3.205 5.513 . 0 0 "[ . 1 . 2 .]" 1
699 1 59 PHE QB 1 90 ILE MD 1.800 . 7.500 4.814 3.877 5.487 . 0 0 "[ . 1 . 2 .]" 1
700 1 59 PHE QD 1 60 GLN H 1.800 . 7.900 3.370 2.147 3.970 . 0 0 "[ . 1 . 2 .]" 1
701 1 59 PHE QD 1 83 THR MG 1.800 . 8.900 4.683 3.939 5.752 . 0 0 "[ . 1 . 2 .]" 1
702 1 59 PHE QD 1 88 HIS HD2 1.800 . 7.900 5.354 3.114 6.855 . 0 0 "[ . 1 . 2 .]" 1
703 1 59 PHE QD 1 88 HIS HE1 1.800 . 7.900 5.659 4.191 6.313 . 0 0 "[ . 1 . 2 .]" 1
704 1 59 PHE QD 1 90 ILE MD 1.800 . 8.900 3.426 2.157 4.307 . 0 0 "[ . 1 . 2 .]" 1
705 1 59 PHE QD 1 90 ILE HG12 1.800 . 7.900 5.493 4.135 6.963 . 0 0 "[ . 1 . 2 .]" 1
706 1 59 PHE QD 1 90 ILE MG 1.800 . 8.900 4.100 2.966 5.495 . 0 0 "[ . 1 . 2 .]" 1
707 1 59 PHE QE 1 88 HIS HE1 1.800 . 7.900 5.716 4.563 6.517 . 0 0 "[ . 1 . 2 .]" 1
708 1 59 PHE QE 1 90 ILE MD 1.800 . 8.900 2.908 1.809 3.843 . 0 0 "[ . 1 . 2 .]" 1
709 1 59 PHE QE 1 90 ILE MG 1.800 . 8.900 2.765 1.797 4.675 0.003 15 0 "[ . 1 . 2 .]" 1
710 1 59 PHE HZ 1 90 ILE MD 1.800 . 6.500 3.738 2.689 5.296 . 0 0 "[ . 1 . 2 .]" 1
711 1 59 PHE HZ 1 90 ILE MG 1.800 . 6.500 3.010 1.800 4.943 0.000 1 0 "[ . 1 . 2 .]" 1
712 1 60 GLN H 1 61 GLU H 1.800 . 5.500 2.640 2.503 2.863 . 0 0 "[ . 1 . 2 .]" 1
713 1 60 GLN H 1 62 ALA H 1.800 . 5.500 4.147 3.854 4.512 . 0 0 "[ . 1 . 2 .]" 1
714 1 60 GLN HA 1 61 GLU H 1.800 . 5.500 3.574 3.524 3.603 . 0 0 "[ . 1 . 2 .]" 1
715 1 60 GLN HA 1 63 ALA H 1.800 . 5.500 3.655 3.152 4.346 . 0 0 "[ . 1 . 2 .]" 1
716 1 60 GLN HA 1 63 ALA MB 1.800 . 5.000 2.651 2.092 3.194 . 0 0 "[ . 1 . 2 .]" 1
717 1 60 GLN HA 1 64 PHE H 1.800 . 5.500 3.908 2.749 4.317 . 0 0 "[ . 1 . 2 .]" 1
718 1 60 GLN HA 1 64 PHE HB2 1.800 . 5.500 4.706 2.698 5.505 0.005 24 0 "[ . 1 . 2 .]" 1
719 1 60 GLN QB 1 60 GLN HE21 1.800 . 6.500 3.307 1.787 4.029 0.013 10 0 "[ . 1 . 2 .]" 1
720 1 60 GLN QB 1 64 PHE QD 1.800 . 8.900 4.464 2.478 6.222 . 0 0 "[ . 1 . 2 .]" 1
721 1 60 GLN QG 1 64 PHE QD 1.800 . 8.900 3.695 2.184 6.196 . 0 0 "[ . 1 . 2 .]" 1
722 1 61 GLU H 1 61 GLU HG3 1.800 . 4.800 3.443 2.033 4.519 . 0 0 "[ . 1 . 2 .]" 1
723 1 61 GLU H 1 62 ALA H 1.800 . 4.000 2.793 2.550 3.122 . 0 0 "[ . 1 . 2 .]" 1
724 1 61 GLU H 1 63 ALA H 1.800 . 5.500 4.499 3.994 4.890 . 0 0 "[ . 1 . 2 .]" 1
725 1 61 GLU HA 1 64 PHE H 1.800 . 5.500 4.147 3.649 4.900 . 0 0 "[ . 1 . 2 .]" 1
726 1 61 GLU HA 1 64 PHE HB2 1.800 . 5.500 3.804 3.006 5.449 . 0 0 "[ . 1 . 2 .]" 1
727 1 61 GLU HA 1 64 PHE HB3 1.800 . 5.500 4.918 3.602 5.495 . 0 0 "[ . 1 . 2 .]" 1
728 1 61 GLU HA 1 65 ALA H 1.800 . 5.500 4.300 2.902 5.064 . 0 0 "[ . 1 . 2 .]" 1
729 1 62 ALA H 1 62 ALA MB 1.800 . 6.500 2.083 1.894 2.234 . 0 0 "[ . 1 . 2 .]" 1
730 1 62 ALA H 1 63 ALA H 1.800 . 4.000 2.666 2.346 3.046 . 0 0 "[ . 1 . 2 .]" 1
731 1 62 ALA H 1 64 PHE H 1.800 . 5.500 4.298 3.947 4.730 . 0 0 "[ . 1 . 2 .]" 1
732 1 62 ALA HA 1 65 ALA H 1.800 . 5.500 3.487 3.148 4.344 . 0 0 "[ . 1 . 2 .]" 1
733 1 62 ALA HA 1 65 ALA MB 1.800 . 5.000 2.653 1.770 3.997 0.030 3 0 "[ . 1 . 2 .]" 1
734 1 62 ALA HA 1 66 LEU H 1.800 . 5.500 4.062 3.017 4.504 . 0 0 "[ . 1 . 2 .]" 1
735 1 62 ALA MB 1 63 ALA H 1.800 . 6.500 2.294 1.987 2.704 . 0 0 "[ . 1 . 2 .]" 1
736 1 62 ALA MB 1 81 VAL HB 1.800 . 6.500 4.929 3.857 5.513 . 0 0 "[ . 1 . 2 .]" 1
737 1 62 ALA MB 1 81 VAL MG1 1.800 . 7.500 3.014 1.844 4.444 . 0 0 "[ . 1 . 2 .]" 1
738 1 62 ALA MB 1 81 VAL MG2 1.800 . 7.500 3.860 3.180 4.952 . 0 0 "[ . 1 . 2 .]" 1
739 1 62 ALA MB 1 90 ILE MD 1.800 . 7.500 3.238 1.980 4.902 . 0 0 "[ . 1 . 2 .]" 1
740 1 63 ALA H 1 63 ALA MB 1.800 . 6.500 2.038 1.920 2.172 . 0 0 "[ . 1 . 2 .]" 1
741 1 63 ALA H 1 64 PHE H 1.800 . 4.000 2.974 2.743 3.214 . 0 0 "[ . 1 . 2 .]" 1
742 1 63 ALA H 1 65 ALA H 1.800 . 5.500 4.010 3.786 4.669 . 0 0 "[ . 1 . 2 .]" 1
743 1 63 ALA HA 1 64 PHE H 1.800 . 5.500 3.589 3.568 3.609 . 0 0 "[ . 1 . 2 .]" 1
744 1 63 ALA HA 1 65 ALA H 1.800 . 5.500 4.300 3.837 5.538 0.038 13 0 "[ . 1 . 2 .]" 1
745 1 63 ALA HA 1 66 LEU H 1.800 . 5.500 4.277 3.552 4.973 . 0 0 "[ . 1 . 2 .]" 1
746 1 63 ALA HA 1 66 LEU QB 1.800 . 6.500 3.900 2.732 5.721 . 0 0 "[ . 1 . 2 .]" 1
747 1 63 ALA HA 1 66 LEU MD1 1.800 . 6.500 4.261 2.795 5.322 . 0 0 "[ . 1 . 2 .]" 1
748 1 63 ALA HA 1 90 ILE HG13 1.800 . 5.500 4.706 3.512 5.605 0.105 7 0 "[ . 1 . 2 .]" 1
749 1 63 ALA HA 1 90 ILE MG 1.800 . 6.500 4.591 2.505 5.389 . 0 0 "[ . 1 . 2 .]" 1
750 1 63 ALA MB 1 64 PHE QD 1.800 . 8.900 2.928 2.104 4.914 . 0 0 "[ . 1 . 2 .]" 1
751 1 63 ALA MB 1 64 PHE QE 1.800 . 8.900 3.884 2.854 6.672 . 0 0 "[ . 1 . 2 .]" 1
752 1 63 ALA MB 1 90 ILE MD 1.800 . 7.500 2.953 1.773 5.063 0.027 21 0 "[ . 1 . 2 .]" 1
753 1 63 ALA MB 1 90 ILE HG13 1.800 . 6.500 4.554 3.240 5.261 . 0 0 "[ . 1 . 2 .]" 1
754 1 63 ALA MB 1 90 ILE MG 1.800 . 7.500 3.758 2.153 4.650 . 0 0 "[ . 1 . 2 .]" 1
755 1 63 ALA MB 1 92 VAL MG1 1.800 . 7.500 4.129 2.917 5.048 . 0 0 "[ . 1 . 2 .]" 1
756 1 63 ALA MB 1 92 VAL MG2 1.800 . 7.500 3.807 2.805 5.146 . 0 0 "[ . 1 . 2 .]" 1
757 1 64 PHE H 1 64 PHE QD 1.800 . 7.200 2.750 1.867 4.193 . 0 0 "[ . 1 . 2 .]" 1
758 1 64 PHE H 1 65 ALA H 1.800 . 5.500 2.550 2.266 2.953 . 0 0 "[ . 1 . 2 .]" 1
759 1 64 PHE H 1 65 ALA HA 1.800 . 5.500 5.135 4.903 5.537 0.037 21 0 "[ . 1 . 2 .]" 1
760 1 64 PHE H 1 66 LEU H 1.800 . 5.500 4.389 3.358 5.571 0.071 21 0 "[ . 1 . 2 .]" 1
761 1 64 PHE HA 1 64 PHE QD 1.800 . 7.200 2.635 1.818 3.082 . 0 0 "[ . 1 . 2 .]" 1
762 1 64 PHE HB2 1 65 ALA H 1.800 . 5.500 3.327 2.492 3.822 . 0 0 "[ . 1 . 2 .]" 1
763 1 64 PHE HB3 1 65 ALA H 1.800 . 5.500 3.764 2.436 4.394 . 0 0 "[ . 1 . 2 .]" 1
764 1 64 PHE QE 1 96 LYS QD 1.800 . 8.900 5.675 3.039 7.165 . 0 0 "[ . 1 . 2 .]" 1
765 1 65 ALA H 1 65 ALA MB 1.800 . 6.500 2.198 1.930 2.485 . 0 0 "[ . 1 . 2 .]" 1
766 1 65 ALA H 1 66 LEU H 1.800 . 4.000 2.492 1.912 3.078 . 0 0 "[ . 1 . 2 .]" 1
767 1 65 ALA H 1 66 LEU HA 1.800 . 5.500 4.853 4.399 5.462 . 0 0 "[ . 1 . 2 .]" 1
768 1 65 ALA HA 1 66 LEU H 1.800 . 5.500 3.338 2.828 3.607 . 0 0 "[ . 1 . 2 .]" 1
769 1 65 ALA MB 1 66 LEU H 1.800 . 6.500 3.041 1.879 3.730 . 0 0 "[ . 1 . 2 .]" 1
770 1 66 LEU HA 1 66 LEU MD2 1.800 . 6.500 3.382 1.830 4.127 . 0 0 "[ . 1 . 2 .]" 1
771 1 66 LEU HA 1 67 PRO QD 1.800 . 5.800 2.148 1.895 3.513 . 0 0 "[ . 1 . 2 .]" 1
772 1 66 LEU MD2 1 92 VAL HB 1.800 . 6.500 4.235 2.177 5.367 . 0 0 "[ . 1 . 2 .]" 1
773 1 67 PRO HA 1 68 VAL H 1.800 . 4.000 2.943 2.219 3.610 . 0 0 "[ . 1 . 2 .]" 1
774 1 67 PRO HB2 1 68 VAL H 1.800 . 5.500 3.395 2.328 4.287 . 0 0 "[ . 1 . 2 .]" 1
775 1 67 PRO HB3 1 68 VAL H 1.800 . 5.500 4.092 3.389 4.614 . 0 0 "[ . 1 . 2 .]" 1
776 1 67 PRO QG 1 68 VAL H 1.800 . 6.500 3.551 1.916 4.747 . 0 0 "[ . 1 . 2 .]" 1
777 1 68 VAL H 1 69 SER H 1.800 . 5.500 3.567 2.255 4.599 . 0 0 "[ . 1 . 2 .]" 1
778 1 68 VAL HA 1 69 SER H 1.800 . 4.000 2.820 2.183 3.595 . 0 0 "[ . 1 . 2 .]" 1
779 1 68 VAL HA 1 69 SER HG 1.800 . 5.500 4.896 3.429 5.493 . 0 0 "[ . 1 . 2 .]" 1
780 1 68 VAL HA 1 70 GLY H 1.800 . 5.500 4.504 3.183 5.524 0.024 10 0 "[ . 1 . 2 .]" 1
781 1 68 VAL HB 1 69 SER H 1.800 . 5.500 3.777 1.822 4.604 . 0 0 "[ . 1 . 2 .]" 1
782 1 68 VAL MG1 1 69 SER H 1.800 . 5.000 3.490 1.753 4.221 0.047 22 0 "[ . 1 . 2 .]" 1
783 1 68 VAL MG2 1 69 SER H 1.800 . 5.000 3.271 1.831 4.158 . 0 0 "[ . 1 . 2 .]" 1
784 1 69 SER H 1 70 GLY H 1.800 . 5.500 2.741 1.844 4.370 . 0 0 "[ . 1 . 2 .]" 1
785 1 69 SER H 1 70 GLY HA2 1.800 . 5.500 4.726 4.076 5.370 . 0 0 "[ . 1 . 2 .]" 1
786 1 69 SER H 1 70 GLY HA3 1.800 . 5.500 4.746 4.222 5.550 0.050 3 0 "[ . 1 . 2 .]" 1
787 1 69 SER HA 1 70 GLY H 1.800 . 5.500 3.014 2.221 3.575 . 0 0 "[ . 1 . 2 .]" 1
788 1 69 SER QB 1 70 GLY H 1.800 . 6.500 3.588 2.359 4.009 . 0 0 "[ . 1 . 2 .]" 1
789 1 69 SER HG 1 70 GLY H 1.800 . 5.500 4.078 1.877 5.274 . 0 0 "[ . 1 . 2 .]" 1
790 1 70 GLY H 1 71 MET H 1.800 . 5.500 4.134 2.308 4.685 . 0 0 "[ . 1 . 2 .]" 1
791 1 70 GLY H 1 72 ASP H 1.800 . 5.500 4.835 3.127 5.572 0.072 2 0 "[ . 1 . 2 .]" 1
792 1 70 GLY HA2 1 71 MET H 1.800 . 5.500 2.743 2.189 3.555 . 0 0 "[ . 1 . 2 .]" 1
793 1 70 GLY HA3 1 71 MET H 1.800 . 4.000 2.797 2.191 3.303 . 0 0 "[ . 1 . 2 .]" 1
794 1 70 GLY HA3 1 72 ASP H 1.800 . 5.500 3.747 3.083 4.858 . 0 0 "[ . 1 . 2 .]" 1
795 1 71 MET H 1 72 ASP H 1.800 . 5.500 2.587 1.824 2.894 . 0 0 "[ . 1 . 2 .]" 1
796 1 71 MET H 1 73 LYS H 1.800 . 5.500 4.535 3.724 5.775 0.275 15 0 "[ . 1 . 2 .]" 1
797 1 71 MET HB2 1 72 ASP H 1.800 . 5.500 3.506 2.388 4.402 . 0 0 "[ . 1 . 2 .]" 1
798 1 71 MET HB3 1 72 ASP H 1.800 . 5.500 3.484 2.347 4.266 . 0 0 "[ . 1 . 2 .]" 1
799 1 71 MET QG 1 72 ASP H 1.800 . 6.500 3.570 1.836 4.375 . 0 0 "[ . 1 . 2 .]" 1
800 1 72 ASP H 1 73 LYS H 1.800 . 4.000 2.548 1.864 4.057 0.057 15 0 "[ . 1 . 2 .]" 1
801 1 72 ASP HA 1 73 LYS H 1.800 . 4.000 3.314 2.411 3.599 . 0 0 "[ . 1 . 2 .]" 1
802 1 72 ASP HB2 1 73 LYS H 1.800 . 5.500 3.454 2.040 4.516 . 0 0 "[ . 1 . 2 .]" 1
803 1 72 ASP HB3 1 73 LYS H 1.800 . 5.500 3.467 1.812 4.441 . 0 0 "[ . 1 . 2 .]" 1
804 1 73 LYS H 1 74 PRO HD2 1.800 . 5.500 3.884 1.845 5.050 . 0 0 "[ . 1 . 2 .]" 1
805 1 73 LYS H 1 74 PRO HD3 1.800 . 5.500 3.529 1.963 5.158 . 0 0 "[ . 1 . 2 .]" 1
806 1 73 LYS HA 1 74 PRO HD2 1.800 . 5.500 2.667 2.027 3.921 . 0 0 "[ . 1 . 2 .]" 1
807 1 73 LYS HA 1 74 PRO HD3 1.800 . 5.500 2.916 2.016 4.050 . 0 0 "[ . 1 . 2 .]" 1
808 1 74 PRO HA 1 75 VAL H 1.800 . 5.500 2.486 2.204 3.394 . 0 0 "[ . 1 . 2 .]" 1
809 1 74 PRO HB2 1 75 VAL H 1.800 . 5.500 3.362 1.975 4.367 . 0 0 "[ . 1 . 2 .]" 1
810 1 74 PRO HB3 1 75 VAL H 1.800 . 5.500 3.992 3.243 4.699 . 0 0 "[ . 1 . 2 .]" 1
811 1 75 VAL H 1 76 PHE QD 1.800 . 7.900 5.583 3.930 6.859 . 0 0 "[ . 1 . 2 .]" 1
812 1 75 VAL H 1 92 VAL H 1.800 . 5.500 4.592 3.546 5.695 0.195 25 0 "[ . 1 . 2 .]" 1
813 1 75 VAL HA 1 76 PHE H 1.800 . 4.000 3.056 2.381 3.578 . 0 0 "[ . 1 . 2 .]" 1
814 1 75 VAL HA 1 76 PHE HA 1.800 . 5.500 4.522 4.457 4.616 . 0 0 "[ . 1 . 2 .]" 1
815 1 75 VAL HA 1 76 PHE QD 1.800 . 6.700 4.514 2.947 6.407 . 0 0 "[ . 1 . 2 .]" 1
816 1 75 VAL MG1 1 76 PHE H 1.800 . 6.500 2.594 1.746 4.226 0.054 14 0 "[ . 1 . 2 .]" 1
817 1 75 VAL MG1 1 76 PHE HA 1.800 . 6.500 4.367 3.365 5.555 . 0 0 "[ . 1 . 2 .]" 1
818 1 75 VAL MG2 1 76 PHE H 1.800 . 6.500 2.939 1.794 3.902 0.006 1 0 "[ . 1 . 2 .]" 1
819 1 75 VAL MG2 1 76 PHE HA 1.800 . 6.500 4.606 3.600 5.539 . 0 0 "[ . 1 . 2 .]" 1
820 1 75 VAL MG2 1 76 PHE QD 1.800 . 8.900 4.191 1.844 5.141 . 0 0 "[ . 1 . 2 .]" 1
821 1 75 VAL MG2 1 76 PHE QE 1.800 . 8.900 5.249 2.810 6.779 . 0 0 "[ . 1 . 2 .]" 1
822 1 76 PHE HA 1 76 PHE QD 1.800 . 7.200 3.239 1.782 3.718 0.018 21 0 "[ . 1 . 2 .]" 1
823 1 76 PHE HA 1 77 THR H 1.800 . 4.000 2.396 2.254 2.564 . 0 0 "[ . 1 . 2 .]" 1
824 1 76 PHE HA 1 77 THR MG 1.800 . 6.500 4.575 3.512 5.552 . 0 0 "[ . 1 . 2 .]" 1
825 1 76 PHE HA 1 91 MET HA 1.800 . 5.500 2.120 1.726 2.617 0.074 25 0 "[ . 1 . 2 .]" 1
826 1 76 PHE HA 1 92 VAL H 1.800 . 5.500 3.355 2.468 4.049 . 0 0 "[ . 1 . 2 .]" 1
827 1 76 PHE HB2 1 77 THR H 1.800 . 5.500 3.180 2.314 4.428 . 0 0 "[ . 1 . 2 .]" 1
828 1 76 PHE HB2 1 91 MET HA 1.800 . 5.500 3.736 2.785 5.454 . 0 0 "[ . 1 . 2 .]" 1
829 1 76 PHE HB2 1 91 MET HG2 1.800 . 5.500 4.350 2.188 5.588 0.088 9 0 "[ . 1 . 2 .]" 1
830 1 76 PHE HB3 1 77 THR H 1.800 . 4.000 3.712 2.407 4.101 0.101 8 0 "[ . 1 . 2 .]" 1
831 1 76 PHE QD 1 77 THR H 1.800 . 7.900 3.174 1.847 4.036 . 0 0 "[ . 1 . 2 .]" 1
832 1 76 PHE QD 1 77 THR HB 1.800 . 7.900 4.684 3.280 6.898 . 0 0 "[ . 1 . 2 .]" 1
833 1 76 PHE QD 1 89 ILE HB 1.800 . 7.900 4.789 2.559 6.838 . 0 0 "[ . 1 . 2 .]" 1
834 1 76 PHE QD 1 89 ILE HG12 1.800 . 7.900 4.680 1.886 6.530 . 0 0 "[ . 1 . 2 .]" 1
835 1 76 PHE QD 1 89 ILE HG13 1.800 . 7.900 4.799 2.123 7.075 . 0 0 "[ . 1 . 2 .]" 1
836 1 76 PHE QD 1 89 ILE MG 1.800 . 8.900 3.640 1.939 5.925 . 0 0 "[ . 1 . 2 .]" 1
837 1 76 PHE QD 1 91 MET HA 1.800 . 7.900 3.952 1.954 5.244 . 0 0 "[ . 1 . 2 .]" 1
838 1 76 PHE QD 1 91 MET HB2 1.800 . 7.900 4.429 1.943 6.458 . 0 0 "[ . 1 . 2 .]" 1
839 1 76 PHE QE 1 77 THR H 1.800 . 7.900 5.066 3.294 6.051 . 0 0 "[ . 1 . 2 .]" 1
840 1 76 PHE QE 1 89 ILE MD 1.800 . 8.900 4.154 2.188 6.819 . 0 0 "[ . 1 . 2 .]" 1
841 1 76 PHE QE 1 89 ILE HG12 1.800 . 7.900 4.939 1.918 7.283 . 0 0 "[ . 1 . 2 .]" 1
842 1 76 PHE QE 1 89 ILE MG 1.800 . 8.900 3.841 1.699 6.738 0.101 8 0 "[ . 1 . 2 .]" 1
843 1 76 PHE QE 1 91 MET HA 1.800 . 7.900 5.725 3.144 7.269 . 0 0 "[ . 1 . 2 .]" 1
844 1 77 THR H 1 78 ASP H 1.800 . 5.500 4.097 2.753 4.567 . 0 0 "[ . 1 . 2 .]" 1
845 1 77 THR H 1 90 ILE H 1.800 . 5.500 3.052 2.246 4.113 . 0 0 "[ . 1 . 2 .]" 1
846 1 77 THR H 1 90 ILE MD 1.800 . 6.500 4.517 3.683 5.390 . 0 0 "[ . 1 . 2 .]" 1
847 1 77 THR H 1 90 ILE HG12 1.800 . 5.500 4.000 2.542 5.574 0.074 8 0 "[ . 1 . 2 .]" 1
848 1 77 THR H 1 91 MET HA 1.800 . 5.500 3.769 2.997 4.170 . 0 0 "[ . 1 . 2 .]" 1
849 1 77 THR HA 1 77 THR MG 1.800 . 5.800 2.256 2.071 2.401 . 0 0 "[ . 1 . 2 .]" 1
850 1 77 THR HA 1 78 ASP H 1.800 . 4.000 2.536 2.194 3.490 . 0 0 "[ . 1 . 2 .]" 1
851 1 77 THR HA 1 90 ILE MD 1.800 . 6.800 5.102 3.836 5.798 . 0 0 "[ . 1 . 2 .]" 1
852 1 77 THR HB 1 90 ILE H 1.800 . 5.500 3.287 1.856 4.529 . 0 0 "[ . 1 . 2 .]" 1
853 1 77 THR HB 1 90 ILE MD 1.800 . 6.500 4.093 2.412 5.256 . 0 0 "[ . 1 . 2 .]" 1
854 1 77 THR HB 1 90 ILE HG12 1.800 . 5.500 4.093 3.099 5.394 . 0 0 "[ . 1 . 2 .]" 1
855 1 77 THR MG 1 78 ASP H 1.800 . 6.500 3.650 1.989 4.437 . 0 0 "[ . 1 . 2 .]" 1
856 1 77 THR MG 1 81 VAL H 1.800 . 6.500 4.220 2.441 5.389 . 0 0 "[ . 1 . 2 .]" 1
857 1 77 THR MG 1 81 VAL MG1 1.800 . 7.500 3.263 1.715 4.837 0.085 20 0 "[ . 1 . 2 .]" 1
858 1 77 THR MG 1 81 VAL MG2 1.800 . 7.500 3.513 1.703 4.839 0.097 17 0 "[ . 1 . 2 .]" 1
859 1 77 THR MG 1 90 ILE MD 1.800 . 7.500 2.786 1.684 3.998 0.116 9 0 "[ . 1 . 2 .]" 1
860 1 78 ASP H 1 79 PRO HA 1.800 . 5.500 4.332 1.958 4.839 . 0 0 "[ . 1 . 2 .]" 1
861 1 78 ASP HA 1 79 PRO HA 1.800 . 4.000 2.109 1.812 3.707 . 0 0 "[ . 1 . 2 .]" 1
862 1 78 ASP HA 1 79 PRO QG 1.800 . 6.500 4.710 4.472 5.639 . 0 0 "[ . 1 . 2 .]" 1
863 1 78 ASP HB2 1 79 PRO HA 1.800 . 5.500 3.618 2.829 4.370 . 0 0 "[ . 1 . 2 .]" 1
864 1 78 ASP HB3 1 79 PRO HA 1.800 . 5.500 3.927 3.057 4.472 . 0 0 "[ . 1 . 2 .]" 1
865 1 79 PRO HA 1 80 PRO HD2 1.800 . 5.500 2.707 1.954 3.912 . 0 0 "[ . 1 . 2 .]" 1
866 1 79 PRO HA 1 80 PRO HD3 1.800 . 5.500 2.547 2.190 4.153 . 0 0 "[ . 1 . 2 .]" 1
867 1 79 PRO HA 1 80 PRO QG 1.800 . 6.500 4.213 3.777 5.293 . 0 0 "[ . 1 . 2 .]" 1
868 1 79 PRO QB 1 80 PRO HD2 1.800 . 6.500 2.359 1.793 4.088 0.007 20 0 "[ . 1 . 2 .]" 1
869 1 80 PRO HA 1 81 VAL H 1.800 . 5.500 2.557 2.169 2.728 . 0 0 "[ . 1 . 2 .]" 1
870 1 80 PRO HA 1 81 VAL MG1 1.800 . 6.800 3.877 3.115 5.599 . 0 0 "[ . 1 . 2 .]" 1
871 1 80 PRO HA 1 88 HIS H 1.800 . 5.500 5.176 2.988 5.543 0.043 4 0 "[ . 1 . 2 .]" 1
872 1 80 PRO HB2 1 81 VAL H 1.800 . 5.500 2.509 2.090 3.799 . 0 0 "[ . 1 . 2 .]" 1
873 1 80 PRO HB3 1 81 VAL MG2 1.800 . 6.500 4.734 4.380 5.333 . 0 0 "[ . 1 . 2 .]" 1
874 1 81 VAL H 1 81 VAL MG1 1.800 . 6.500 2.795 2.187 3.798 . 0 0 "[ . 1 . 2 .]" 1
875 1 81 VAL H 1 81 VAL MG2 1.800 . 6.500 2.061 1.803 2.802 . 0 0 "[ . 1 . 2 .]" 1
876 1 81 VAL H 1 82 LYS H 1.800 . 5.500 4.566 4.505 4.596 . 0 0 "[ . 1 . 2 .]" 1
877 1 81 VAL H 1 87 TYR HA 1.800 . 5.500 5.048 3.873 5.549 0.049 23 0 "[ . 1 . 2 .]" 1
878 1 81 VAL H 1 88 HIS H 1.800 . 5.500 3.103 1.925 3.509 . 0 0 "[ . 1 . 2 .]" 1
879 1 81 VAL H 1 88 HIS HB2 1.800 . 5.500 3.585 3.009 4.122 . 0 0 "[ . 1 . 2 .]" 1
880 1 81 VAL H 1 88 HIS HB3 1.800 . 5.500 4.985 4.285 5.522 0.022 3 0 "[ . 1 . 2 .]" 1
881 1 81 VAL H 1 88 HIS HD2 1.800 . 5.500 4.892 4.102 5.281 . 0 0 "[ . 1 . 2 .]" 1
882 1 81 VAL H 1 89 ILE HA 1.800 . 5.500 3.823 3.189 4.270 . 0 0 "[ . 1 . 2 .]" 1
883 1 81 VAL HA 1 82 LYS H 1.800 . 4.000 2.306 2.211 2.405 . 0 0 "[ . 1 . 2 .]" 1
884 1 81 VAL HB 1 88 HIS H 1.800 . 5.500 4.447 2.083 5.432 . 0 0 "[ . 1 . 2 .]" 1
885 1 81 VAL MG1 1 82 LYS H 1.800 . 6.500 3.546 1.951 4.134 . 0 0 "[ . 1 . 2 .]" 1
886 1 81 VAL MG1 1 88 HIS H 1.800 . 6.500 4.647 3.429 5.192 . 0 0 "[ . 1 . 2 .]" 1
887 1 81 VAL MG1 1 88 HIS HB2 1.800 . 6.500 3.999 2.206 4.538 . 0 0 "[ . 1 . 2 .]" 1
888 1 81 VAL MG1 1 88 HIS HD2 1.800 . 6.500 4.943 2.847 5.472 . 0 0 "[ . 1 . 2 .]" 1
889 1 81 VAL MG1 1 90 ILE MD 1.800 . 7.500 3.892 2.371 5.042 . 0 0 "[ . 1 . 2 .]" 1
890 1 81 VAL MG2 1 82 LYS H 1.800 . 6.500 3.803 3.545 4.156 . 0 0 "[ . 1 . 2 .]" 1
891 1 81 VAL MG2 1 88 HIS H 1.800 . 6.500 2.853 1.827 4.999 . 0 0 "[ . 1 . 2 .]" 1
892 1 81 VAL MG2 1 88 HIS HB2 1.800 . 6.500 2.348 1.695 4.430 0.105 18 0 "[ . 1 . 2 .]" 1
893 1 82 LYS H 1 82 LYS QD 1.800 . 6.500 4.004 2.772 4.872 . 0 0 "[ . 1 . 2 .]" 1
894 1 82 LYS H 1 83 THR H 1.800 . 5.500 4.386 4.118 4.509 . 0 0 "[ . 1 . 2 .]" 1
895 1 82 LYS H 1 85 PHE QE 1.800 . 7.900 7.045 5.812 7.302 . 0 0 "[ . 1 . 2 .]" 1
896 1 82 LYS H 1 87 TYR HA 1.800 . 5.500 5.003 4.697 5.345 . 0 0 "[ . 1 . 2 .]" 1
897 1 82 LYS H 1 87 TYR QD 1.800 . 7.900 5.733 4.332 7.196 . 0 0 "[ . 1 . 2 .]" 1
898 1 82 LYS HA 1 83 THR H 1.800 . 4.000 2.235 2.187 2.310 . 0 0 "[ . 1 . 2 .]" 1
899 1 82 LYS HA 1 87 TYR HA 1.800 . 4.000 2.459 1.967 3.290 . 0 0 "[ . 1 . 2 .]" 1
900 1 82 LYS HA 1 87 TYR QD 1.800 . 7.900 3.288 1.822 5.085 . 0 0 "[ . 1 . 2 .]" 1
901 1 82 LYS HA 1 88 HIS H 1.800 . 5.500 3.745 3.258 4.643 . 0 0 "[ . 1 . 2 .]" 1
902 1 82 LYS HA 1 88 HIS HD2 1.800 . 5.500 3.740 3.202 4.614 . 0 0 "[ . 1 . 2 .]" 1
903 1 82 LYS QB 1 87 TYR HA 1.800 . 6.500 4.266 3.485 5.095 . 0 0 "[ . 1 . 2 .]" 1
904 1 82 LYS QB 1 87 TYR QD 1.800 . 8.900 4.051 2.105 5.854 . 0 0 "[ . 1 . 2 .]" 1
905 1 82 LYS QD 1 83 THR H 1.800 . 6.500 5.362 4.637 5.846 . 0 0 "[ . 1 . 2 .]" 1
906 1 82 LYS QD 1 87 TYR QD 1.800 . 8.900 5.272 3.436 7.026 . 0 0 "[ . 1 . 2 .]" 1
907 1 82 LYS QE 1 87 TYR QD 1.800 . 8.900 5.458 4.187 6.484 . 0 0 "[ . 1 . 2 .]" 1
908 1 82 LYS QG 1 83 THR H 1.800 . 6.500 3.852 2.677 4.366 . 0 0 "[ . 1 . 2 .]" 1
909 1 82 LYS QG 1 87 TYR QD 1.800 . 8.900 4.076 1.849 6.754 . 0 0 "[ . 1 . 2 .]" 1
910 1 82 LYS QG 1 88 HIS HD2 1.800 . 6.500 5.611 5.130 5.904 . 0 0 "[ . 1 . 2 .]" 1
911 1 83 THR H 1 83 THR MG 1.800 . 6.500 2.789 1.867 3.839 . 0 0 "[ . 1 . 2 .]" 1
912 1 83 THR H 1 86 GLY H 1.800 . 5.500 3.801 2.963 4.402 . 0 0 "[ . 1 . 2 .]" 1
913 1 83 THR H 1 86 GLY HA3 1.800 . 5.500 5.125 4.793 5.389 . 0 0 "[ . 1 . 2 .]" 1
914 1 83 THR H 1 87 TYR HA 1.800 . 5.500 2.912 2.492 3.560 . 0 0 "[ . 1 . 2 .]" 1
915 1 83 THR H 1 88 HIS H 1.800 . 5.500 4.695 4.293 5.067 . 0 0 "[ . 1 . 2 .]" 1
916 1 83 THR HA 1 84 LYS H 1.800 . 5.500 2.550 2.378 2.803 . 0 0 "[ . 1 . 2 .]" 1
917 1 83 THR HB 1 86 GLY H 1.800 . 5.500 4.709 3.534 5.383 . 0 0 "[ . 1 . 2 .]" 1
918 1 83 THR MG 1 85 PHE QE 1.800 . 8.900 2.650 2.231 3.731 . 0 0 "[ . 1 . 2 .]" 1
919 1 84 LYS H 1 85 PHE H 1.800 . 5.500 2.632 2.428 2.813 . 0 0 "[ . 1 . 2 .]" 1
920 1 84 LYS HA 1 85 PHE H 1.800 . 5.500 3.461 3.404 3.591 . 0 0 "[ . 1 . 2 .]" 1
921 1 84 LYS HA 1 86 GLY H 1.800 . 5.500 3.673 3.487 4.409 . 0 0 "[ . 1 . 2 .]" 1
922 1 84 LYS QB 1 85 PHE H 1.800 . 6.500 3.070 2.373 3.770 . 0 0 "[ . 1 . 2 .]" 1
923 1 85 PHE H 1 86 GLY H 1.800 . 5.500 2.673 2.241 3.185 . 0 0 "[ . 1 . 2 .]" 1
924 1 85 PHE HB2 1 88 HIS HE1 1.800 . 5.500 3.607 2.018 5.517 0.017 18 0 "[ . 1 . 2 .]" 1
925 1 85 PHE HB3 1 88 HIS HE1 1.800 . 5.500 5.073 3.142 5.631 0.131 18 0 "[ . 1 . 2 .]" 1
926 1 86 GLY H 1 87 TYR H 1.800 . 5.500 4.498 4.051 4.617 . 0 0 "[ . 1 . 2 .]" 1
927 1 86 GLY HA2 1 87 TYR H 1.800 . 4.000 2.701 2.536 3.286 . 0 0 "[ . 1 . 2 .]" 1
928 1 86 GLY HA3 1 87 TYR H 1.800 . 4.000 2.514 2.242 2.676 . 0 0 "[ . 1 . 2 .]" 1
929 1 87 TYR H 1 88 HIS H 1.800 . 5.500 4.589 4.490 4.617 . 0 0 "[ . 1 . 2 .]" 1
930 1 87 TYR HA 1 87 TYR QD 1.800 . 7.200 2.786 1.810 3.736 . 0 0 "[ . 1 . 2 .]" 1
931 1 87 TYR HA 1 88 HIS H 1.800 . 4.000 2.386 2.257 2.495 . 0 0 "[ . 1 . 2 .]" 1
932 1 87 TYR HA 1 88 HIS HD2 1.800 . 4.000 2.545 2.032 3.796 . 0 0 "[ . 1 . 2 .]" 1
933 1 87 TYR HB2 1 88 HIS H 1.800 . 5.500 3.450 2.601 4.188 . 0 0 "[ . 1 . 2 .]" 1
934 1 87 TYR HB3 1 88 HIS H 1.800 . 5.500 3.415 2.606 4.145 . 0 0 "[ . 1 . 2 .]" 1
935 1 87 TYR HB3 1 88 HIS HD2 1.800 . 5.500 4.803 4.448 5.674 0.174 18 0 "[ . 1 . 2 .]" 1
936 1 87 TYR QD 1 88 HIS H 1.800 . 7.900 3.799 3.365 4.445 . 0 0 "[ . 1 . 2 .]" 1
937 1 88 HIS H 1 88 HIS HD2 1.800 . 4.800 2.592 2.133 3.569 . 0 0 "[ . 1 . 2 .]" 1
938 1 88 HIS HA 1 89 ILE H 1.800 . 4.000 2.209 2.170 2.314 . 0 0 "[ . 1 . 2 .]" 1
939 1 88 HIS HB2 1 89 ILE H 1.800 . 5.500 4.045 3.587 4.400 . 0 0 "[ . 1 . 2 .]" 1
940 1 88 HIS HB2 1 90 ILE MD 1.800 . 6.500 4.261 2.372 5.360 . 0 0 "[ . 1 . 2 .]" 1
941 1 88 HIS HB3 1 89 ILE H 1.800 . 5.500 3.281 2.710 3.795 . 0 0 "[ . 1 . 2 .]" 1
942 1 88 HIS HB3 1 90 ILE MD 1.800 . 6.500 4.265 1.959 5.324 . 0 0 "[ . 1 . 2 .]" 1
943 1 89 ILE H 1 90 ILE H 1.800 . 5.500 4.201 3.875 4.459 . 0 0 "[ . 1 . 2 .]" 1
944 1 89 ILE HA 1 89 ILE MG 1.800 . 6.500 2.644 2.260 3.195 . 0 0 "[ . 1 . 2 .]" 1
945 1 89 ILE HA 1 90 ILE H 1.800 . 4.000 2.260 2.201 2.329 . 0 0 "[ . 1 . 2 .]" 1
946 1 89 ILE HG12 1 90 ILE H 1.800 . 5.500 4.685 3.445 5.553 0.053 12 0 "[ . 1 . 2 .]" 1
947 1 89 ILE HG13 1 90 ILE H 1.800 . 5.500 4.430 3.448 5.576 0.076 6 0 "[ . 1 . 2 .]" 1
948 1 89 ILE MG 1 90 ILE H 1.800 . 6.500 3.648 2.617 4.511 . 0 0 "[ . 1 . 2 .]" 1
949 1 90 ILE H 1 90 ILE MD 1.800 . 6.500 3.247 1.799 3.874 0.001 1 0 "[ . 1 . 2 .]" 1
950 1 90 ILE H 1 91 MET H 1.800 . 5.500 4.534 4.435 4.598 . 0 0 "[ . 1 . 2 .]" 1
951 1 90 ILE HA 1 90 ILE MG 1.800 . 6.500 2.345 1.897 2.625 . 0 0 "[ . 1 . 2 .]" 1
952 1 90 ILE HA 1 91 MET H 1.800 . 4.000 2.240 2.135 2.456 . 0 0 "[ . 1 . 2 .]" 1
953 1 90 ILE HB 1 91 MET H 1.800 . 5.500 3.291 2.393 4.206 . 0 0 "[ . 1 . 2 .]" 1
954 1 90 ILE MG 1 91 MET H 1.800 . 6.500 3.394 2.075 4.218 . 0 0 "[ . 1 . 2 .]" 1
955 1 91 MET H 1 92 VAL H 1.800 . 5.500 4.350 4.021 4.531 . 0 0 "[ . 1 . 2 .]" 1
956 1 91 MET HA 1 92 VAL H 1.800 . 4.000 2.287 2.235 2.396 . 0 0 "[ . 1 . 2 .]" 1
957 1 91 MET HB2 1 92 VAL H 1.800 . 5.500 4.220 2.757 4.631 . 0 0 "[ . 1 . 2 .]" 1
958 1 91 MET HG2 1 92 VAL H 1.800 . 5.500 4.327 2.619 5.182 . 0 0 "[ . 1 . 2 .]" 1
959 1 92 VAL H 1 92 VAL MG2 1.800 . 6.500 2.434 1.807 3.774 . 0 0 "[ . 1 . 2 .]" 1
960 1 92 VAL HA 1 93 GLU H 1.800 . 4.000 2.215 2.168 2.327 . 0 0 "[ . 1 . 2 .]" 1
961 1 92 VAL HB 1 93 GLU H 1.800 . 5.500 4.132 3.574 4.419 . 0 0 "[ . 1 . 2 .]" 1
962 1 92 VAL MG1 1 93 GLU H 1.800 . 6.500 3.021 2.308 4.231 . 0 0 "[ . 1 . 2 .]" 1
963 1 93 GLU H 1 94 GLY H 1.800 . 5.500 3.100 1.833 4.519 . 0 0 "[ . 1 . 2 .]" 1
964 1 93 GLU HA 1 94 GLY H 1.800 . 4.000 2.928 2.239 3.589 . 0 0 "[ . 1 . 2 .]" 1
965 1 93 GLU QB 1 94 GLY H 1.800 . 6.500 3.220 2.303 4.066 . 0 0 "[ . 1 . 2 .]" 1
966 1 93 GLU HG2 1 94 GLY H 1.800 . 5.500 3.856 2.228 5.162 . 0 0 "[ . 1 . 2 .]" 1
967 1 94 GLY H 1 95 ARG H 1.800 . 5.500 3.945 2.701 4.656 . 0 0 "[ . 1 . 2 .]" 1
968 1 94 GLY H 1 95 ARG HB2 1.800 . 5.800 5.101 4.007 5.845 0.045 3 0 "[ . 1 . 2 .]" 1
969 1 94 GLY HA2 1 95 ARG H 1.800 . 4.000 2.369 2.182 2.785 . 0 0 "[ . 1 . 2 .]" 1
970 1 94 GLY HA3 1 95 ARG H 1.800 . 4.000 3.137 2.404 3.573 . 0 0 "[ . 1 . 2 .]" 1
971 1 95 ARG H 1 96 LYS H 1.800 . 5.500 3.979 1.852 4.589 . 0 0 "[ . 1 . 2 .]" 1
972 1 95 ARG HA 1 96 LYS H 1.800 . 4.000 2.622 2.236 3.578 . 0 0 "[ . 1 . 2 .]" 1
973 1 95 ARG HB3 1 96 LYS H 1.800 . 5.500 3.483 1.871 4.224 . 0 0 "[ . 1 . 2 .]" 1
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