NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452522 |
2vrd   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2vrd
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 478
_Distance_constraint_stats_list.Viol_count 2963
_Distance_constraint_stats_list.Viol_total 5236.389
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0376
_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 2 PRO 0.127 0.028 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 3 LYS 1.420 0.085 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 4 PHE 1.428 0.033 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 5 TYR 2.018 0.049 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 6 CYS 6.714 0.096 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 7 ASP 1.077 0.029 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 8 TYR 2.746 0.067 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 9 CYS 2.960 0.075 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 10 ASP 0.638 0.029 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 THR 1.938 0.076 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 TYR 10.363 0.139 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 13 LEU 4.925 0.087 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 14 THR 1.381 0.053 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 15 HIS 0.708 0.067 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 ASP 3.245 0.154 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 SER 1.663 0.079 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 PRO 1.537 0.045 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 SER 0.002 0.002 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 VAL 4.570 0.069 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 ARG 3.250 0.082 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 LYS 4.339 0.099 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 THR 2.574 0.059 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 HIS 8.270 0.096 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 CYS 16.129 0.187 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 26 SER 0.071 0.016 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 GLY 7.693 0.130 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 ARG 1.801 0.084 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 LYS 3.909 0.130 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 HIS 7.193 0.086 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 LYS 2.662 0.067 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 GLU 0.122 0.025 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 ASN 2.087 0.067 30 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 VAL 9.537 0.097 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 35 LYS 3.298 0.091 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 36 ASP 0.115 0.012 9 0 "[ . 1 . 2 . 3 . 4 . ]"
1 37 TYR 5.807 0.097 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 TYR 6.125 0.091 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 39 GLN 4.338 0.099 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 40 LYS 13.474 0.282 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 TRP 13.319 0.282 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 42 MET 1.204 0.054 23 0 "[ . 1 . 2 . 3 . 4 . ]"
1 43 GLU 0.199 0.089 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 GLN 0.479 0.050 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 46 ALA 4.336 0.160 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 47 GLN 3.440 0.160 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 48 SER 0.241 0.030 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 LEU 4.338 0.066 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 ILE 6.958 0.072 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 ASP 0.633 0.030 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 LYS 0.164 0.021 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 THR 0.244 0.025 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 54 THR 0.671 0.042 17 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 ALA 0.164 0.021 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 ALA 5.640 0.235 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 PHE 5.937 0.235 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 58 GLN 0.336 0.075 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 59 GLN 0.133 0.057 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 60 GLY 0.045 0.017 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 61 LYS 0.024 0.017 22 0 "[ . 1 . 2 . 3 . 4 . ]"
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 2 PRO HA 1 3 LYS H 2.500 . 2.500 2.365 2.258 2.528 0.028 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
2 1 2 PRO QB 1 3 LYS H 5.000 . 5.000 3.239 2.539 3.974 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
3 1 3 LYS HA 1 4 PHE H 2.500 . 2.500 2.378 2.228 2.532 0.032 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
4 1 3 LYS HA 1 14 THR HA 3.500 . 3.500 3.516 3.501 3.553 0.053 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
5 1 3 LYS HA 1 14 THR HB 6.000 . 6.000 5.843 5.749 6.003 0.003 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
6 1 3 LYS QB 1 12 TYR QD 3.500 . 3.500 3.338 2.862 3.585 0.085 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
7 1 3 LYS QB 1 12 TYR QE 3.500 . 3.500 2.016 1.877 2.598 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
8 1 3 LYS QD 1 12 TYR QD 3.500 . 3.500 3.086 2.206 3.517 0.017 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
9 1 3 LYS QD 1 12 TYR QE 3.500 . 3.500 2.396 1.846 3.536 0.036 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
10 1 3 LYS QE 1 12 TYR QD 5.000 . 5.000 4.534 3.392 5.013 0.013 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
11 1 3 LYS QE 1 12 TYR QE 5.000 . 5.000 3.774 1.975 5.016 0.016 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
12 1 3 LYS QG 1 12 TYR QD 5.000 . 5.000 4.639 3.902 5.000 0.000 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
13 1 3 LYS QG 1 12 TYR QE 5.000 . 5.000 3.540 2.683 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
14 1 4 PHE H 1 4 PHE QB 2.500 . 2.500 2.335 2.227 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
15 1 4 PHE H 1 4 PHE QD 5.000 . 5.000 4.218 4.157 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
16 1 4 PHE H 1 5 TYR H 5.000 . 5.000 4.599 4.528 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
17 1 4 PHE H 1 13 LEU H 5.000 . 5.000 3.703 3.135 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
18 1 4 PHE H 1 13 LEU MD1 5.000 . 5.000 4.131 3.687 4.587 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
19 1 4 PHE H 1 16 ASP HB3 5.000 . 5.000 4.677 2.590 5.033 0.033 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
20 1 4 PHE HA 1 4 PHE HB2 2.500 . 2.500 2.473 2.456 2.505 0.005 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
21 1 4 PHE HA 1 5 TYR H 2.500 . 2.500 2.433 2.349 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
22 1 4 PHE QB 1 16 ASP QB 3.500 . 3.500 2.603 1.909 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
23 1 4 PHE HB2 1 13 LEU MD2 5.000 . 5.000 4.115 3.447 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
24 1 4 PHE HB3 1 5 TYR H 5.000 . 5.000 3.825 3.708 4.040 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
25 1 4 PHE HB3 1 13 LEU MD1 3.500 . 3.500 2.909 2.468 3.377 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
26 1 4 PHE HB3 1 13 LEU MD2 3.500 . 3.500 2.843 2.181 3.276 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
27 1 4 PHE HB3 1 20 VAL MG1 5.000 . 5.000 4.002 3.687 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
28 1 4 PHE QD 1 5 TYR H 3.500 . 3.500 2.913 2.729 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
29 1 4 PHE QD 1 5 TYR HA 5.000 . 5.000 4.226 3.464 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
30 1 4 PHE QD 1 13 LEU H 5.000 . 5.000 4.266 3.964 4.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
31 1 4 PHE QD 1 13 LEU HB2 3.500 . 3.500 2.892 2.521 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
32 1 4 PHE QD 1 13 LEU HB3 5.000 . 5.000 3.831 3.388 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
33 1 4 PHE QD 1 13 LEU MD1 3.500 . 3.500 1.974 1.858 2.263 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
34 1 4 PHE QD 1 13 LEU HG 5.000 . 5.000 4.199 3.891 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
35 1 4 PHE QD 1 16 ASP HA 5.000 . 5.000 4.035 3.242 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
36 1 4 PHE QD 1 16 ASP QB 5.000 . 5.000 3.927 3.198 4.450 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
37 1 4 PHE QD 1 20 VAL MG1 5.000 . 5.000 4.581 4.042 4.815 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
38 1 4 PHE QD 1 21 ARG HA 5.000 . 5.000 3.894 3.414 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
39 1 4 PHE QE 1 6 CYS HA 5.000 . 5.000 3.600 2.735 4.327 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
40 1 4 PHE QE 1 6 CYS HB2 5.000 . 5.000 2.980 2.516 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
41 1 4 PHE QE 1 13 LEU H 6.000 . 6.000 6.014 5.969 6.033 0.033 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
42 1 4 PHE QE 1 13 LEU MD1 5.000 . 5.000 3.133 2.950 3.362 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
43 1 4 PHE QE 1 20 VAL MG1 6.000 . 6.000 5.950 5.479 6.027 0.027 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
44 1 5 TYR H 1 5 TYR QB 3.500 . 3.500 2.489 2.409 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
45 1 5 TYR H 1 6 CYS H 5.000 . 5.000 4.403 4.308 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
46 1 5 TYR HA 1 6 CYS H 2.500 . 2.500 2.282 2.264 2.301 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
47 1 5 TYR HA 1 12 TYR HA 2.500 . 2.500 2.445 2.170 2.549 0.049 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
48 1 5 TYR HA 1 12 TYR QD 3.500 . 3.500 3.227 2.394 3.530 0.030 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
49 1 5 TYR HA 1 12 TYR QE 5.000 . 5.000 4.212 3.751 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
50 1 5 TYR HA 1 13 LEU H 5.000 . 5.000 2.654 2.202 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
51 1 5 TYR QB 1 12 TYR QD 5.000 . 5.000 3.012 2.435 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
52 1 5 TYR HB2 1 12 TYR QE 3.500 . 3.500 2.658 2.130 3.383 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
53 1 5 TYR QD 1 6 CYS H 5.000 . 5.000 2.988 2.674 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
54 1 5 TYR QD 1 7 ASP HA 5.000 . 5.000 3.998 3.233 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
55 1 5 TYR QD 1 7 ASP QB 5.000 . 5.000 3.731 3.337 4.136 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
56 1 5 TYR QD 1 10 ASP HA 6.000 . 6.000 5.528 4.996 5.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
57 1 5 TYR QD 1 11 THR H 6.000 . 6.000 4.468 4.226 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
58 1 5 TYR QD 1 12 TYR HA 3.500 . 3.500 2.446 1.990 3.544 0.044 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
59 1 5 TYR QD 1 12 TYR QB 5.000 . 5.000 3.192 2.500 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
60 1 5 TYR QD 1 12 TYR QD 3.500 . 3.500 2.286 1.953 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
61 1 5 TYR QD 1 12 TYR QE 5.000 . 5.000 3.486 2.813 3.786 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
62 1 5 TYR QE 1 7 ASP H 6.000 . 6.000 3.929 3.320 4.343 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
63 1 5 TYR QE 1 7 ASP HA 3.500 . 3.500 2.736 1.991 3.511 0.011 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
64 1 5 TYR QE 1 7 ASP QB 3.500 . 3.500 3.121 2.406 3.517 0.017 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
65 1 5 TYR QE 1 10 ASP H 5.000 . 5.000 4.528 3.638 5.016 0.016 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
66 1 5 TYR QE 1 10 ASP HA 5.000 . 5.000 3.643 2.902 4.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
67 1 5 TYR QE 1 10 ASP QB 6.000 . 6.000 5.300 4.735 5.717 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
68 1 5 TYR QE 1 11 THR H 6.000 . 6.000 3.574 3.221 4.073 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
69 1 5 TYR QE 1 12 TYR HA 5.000 . 5.000 3.908 3.543 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
70 1 5 TYR QE 1 12 TYR QD 5.000 . 5.000 3.403 2.748 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
71 1 5 TYR QE 1 12 TYR QE 5.000 . 5.000 4.926 4.045 5.045 0.045 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
72 1 6 CYS H 1 6 CYS QB 3.500 . 3.500 2.386 2.365 2.436 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
73 1 6 CYS H 1 11 THR H 5.000 . 5.000 3.557 3.280 3.785 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
74 1 6 CYS H 1 11 THR MG 5.000 . 5.000 3.248 2.643 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
75 1 6 CYS H 1 12 TYR HA 5.000 . 5.000 3.477 3.115 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
76 1 6 CYS H 1 12 TYR QD 5.000 . 5.000 4.827 4.244 5.077 0.077 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
77 1 6 CYS H 1 13 LEU H 5.000 . 5.000 4.084 3.641 4.530 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
78 1 6 CYS H 1 13 LEU MD1 3.500 . 3.500 2.816 2.470 3.079 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
79 1 6 CYS HA 1 7 ASP H 2.500 . 2.500 2.346 2.309 2.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
80 1 6 CYS HA 1 8 TYR H 5.000 . 5.000 3.679 3.606 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
81 1 6 CYS QB 1 13 LEU MD1 2.500 . 2.500 2.378 2.023 2.531 0.031 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
82 1 6 CYS HB2 1 9 CYS HB3 5.000 . 5.000 5.061 5.042 5.075 0.075 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
83 1 6 CYS HB2 1 11 THR MG 5.000 . 5.000 3.732 3.336 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
84 1 6 CYS HB3 1 9 CYS H 5.000 . 5.000 2.967 2.875 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
85 1 6 CYS HB3 1 9 CYS HB2 5.000 . 5.000 1.999 1.973 2.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
86 1 6 CYS HB3 1 11 THR H 6.000 . 6.000 3.568 3.376 3.699 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
87 1 6 CYS HB3 1 11 THR MG 3.500 . 3.500 2.668 2.406 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
88 1 6 CYS HB3 1 24 HIS HD2 5.000 . 5.000 5.060 5.046 5.096 0.096 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
89 1 7 ASP H 1 7 ASP HB3 2.500 . 2.500 2.505 2.442 2.513 0.013 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
90 1 7 ASP H 1 8 TYR H 5.000 . 5.000 2.887 2.834 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
91 1 7 ASP HA 1 10 ASP HA 3.500 . 3.500 3.512 3.482 3.529 0.029 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
92 1 7 ASP HB2 1 8 TYR H 5.000 . 5.000 3.773 3.750 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
93 1 8 TYR H 1 8 TYR HB2 3.500 . 3.500 2.480 2.385 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
94 1 8 TYR H 1 8 TYR QD 3.500 . 3.500 2.529 2.205 3.120 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
95 1 8 TYR H 1 9 CYS H 3.500 . 3.500 2.742 2.702 2.766 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
96 1 8 TYR H 1 10 ASP H 6.000 . 6.000 4.066 4.020 4.110 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
97 1 8 TYR HA 1 8 TYR HB3 . . 2.500 2.498 2.455 2.543 0.043 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
98 1 8 TYR HA 1 8 TYR QD . . 3.500 2.490 1.994 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
99 1 8 TYR HA 1 8 TYR QE 5.000 . 5.000 4.451 4.279 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
100 1 8 TYR HA 1 9 CYS H 5.000 . 5.000 3.580 3.573 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
101 1 8 TYR HA 1 37 TYR QD 5.000 . 5.000 3.002 2.660 3.527 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
102 1 8 TYR QB 1 9 CYS H 5.000 . 5.000 2.732 2.648 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
103 1 8 TYR QB 1 30 HIS HE1 5.000 . 5.000 3.179 2.727 3.770 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
104 1 8 TYR QB 1 34 VAL MG2 3.500 . 3.500 2.168 1.894 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
105 1 8 TYR HB2 1 9 CYS H 3.500 . 3.500 2.796 2.706 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
106 1 8 TYR HB3 1 30 HIS HE1 5.000 . 5.000 4.209 3.565 5.006 0.006 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
107 1 8 TYR HB3 1 37 TYR QD 5.000 . 5.000 4.876 4.443 5.021 0.021 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
108 1 8 TYR QD 1 34 VAL HA 3.500 . 3.500 2.798 2.182 3.405 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
109 1 8 TYR QD 1 34 VAL MG1 3.500 . 3.500 2.082 1.879 2.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
110 1 8 TYR QD 1 34 VAL MG2 2.500 . 2.500 2.519 2.468 2.548 0.048 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
111 1 8 TYR QD 1 37 TYR QB 5.000 . 5.000 2.790 2.269 3.298 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
112 1 8 TYR QD 1 50 ILE MD 3.500 . 3.500 3.505 3.417 3.567 0.067 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
113 1 8 TYR QD 1 50 ILE MG 5.000 . 5.000 4.616 4.000 5.006 0.006 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
114 1 8 TYR QE 1 34 VAL HA 5.000 . 5.000 4.733 4.264 5.016 0.016 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
115 1 8 TYR QE 1 34 VAL MG1 5.000 . 5.000 2.305 2.047 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
116 1 8 TYR QE 1 34 VAL MG2 3.500 . 3.500 3.511 3.264 3.542 0.042 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
117 1 8 TYR QE 1 53 THR MG 3.500 . 3.500 3.121 2.029 3.518 0.018 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
118 1 9 CYS H 1 9 CYS HB2 3.500 . 3.500 2.230 2.197 2.288 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
119 1 9 CYS H 1 10 ASP H 3.500 . 3.500 2.481 2.361 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
120 1 9 CYS H 1 11 THR MG 5.000 . 5.000 3.792 3.673 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
121 1 9 CYS HA 1 10 ASP H 3.500 . 3.500 3.438 3.396 3.502 0.002 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
122 1 9 CYS HA 1 33 ASN HB3 5.000 . 5.000 4.773 4.027 5.020 0.020 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
123 1 9 CYS QB 1 10 ASP H 5.000 . 5.000 3.332 3.177 3.421 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
124 1 9 CYS QB 1 11 THR H 5.000 . 5.000 3.142 3.104 3.345 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
125 1 9 CYS QB 1 11 THR MG 3.500 . 3.500 1.795 1.766 1.861 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
126 1 9 CYS QB 1 24 HIS HE1 5.000 . 5.000 3.274 3.055 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
127 1 10 ASP H 1 10 ASP HA 2.500 . 2.500 2.350 2.346 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
128 1 10 ASP H 1 11 THR H 3.500 . 3.500 2.867 2.810 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
129 1 10 ASP H 1 11 THR MG 5.000 . 5.000 3.795 3.671 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
130 1 10 ASP HA 1 11 THR H 3.500 . 3.500 2.924 2.834 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
131 1 10 ASP QB 1 11 THR H 5.000 . 5.000 3.874 3.843 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
132 1 11 THR H 1 11 THR HB 3.500 . 3.500 3.209 3.075 3.286 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
133 1 11 THR H 1 11 THR MG 3.500 . 3.500 2.103 2.087 2.190 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
134 1 11 THR H 1 12 TYR H 5.000 . 5.000 4.479 4.462 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
135 1 11 THR HA 1 12 TYR H 2.500 . 2.500 2.541 2.500 2.576 0.076 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
136 1 11 THR MG 1 12 TYR H 3.500 . 3.500 3.371 3.281 3.464 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
137 1 11 THR MG 1 12 TYR HA 5.000 . 5.000 3.851 3.758 3.968 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
138 1 11 THR MG 1 13 LEU MD1 5.000 . 5.000 2.674 2.454 2.959 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
139 1 11 THR MG 1 13 LEU HG 5.000 . 5.000 3.919 3.480 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
140 1 11 THR MG 1 24 HIS HE1 3.500 . 3.500 3.003 2.650 3.451 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
141 1 12 TYR H 1 12 TYR QB 3.500 . 3.500 2.408 2.376 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
142 1 12 TYR HA 1 12 TYR HB2 2.500 . 2.500 2.602 2.519 2.639 0.139 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
143 1 12 TYR HA 1 13 LEU H 2.500 . 2.500 2.274 2.250 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
144 1 12 TYR HA 1 13 LEU QB 6.000 . 6.000 4.317 4.218 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
145 1 12 TYR HA 1 13 LEU MD1 3.500 . 3.500 3.256 2.933 3.514 0.014 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
146 1 12 TYR HA 1 13 LEU HG 5.000 . 5.000 5.006 4.823 5.025 0.025 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
147 1 12 TYR QB 1 13 LEU H 6.000 . 6.000 3.774 3.599 4.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
148 1 12 TYR HB3 1 12 TYR QE 5.000 . 5.000 4.470 4.423 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
149 1 12 TYR QD 1 13 LEU H 5.000 . 5.000 3.060 2.173 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
150 1 13 LEU H 1 13 LEU HB2 2.500 . 2.500 2.262 2.215 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
151 1 13 LEU H 1 13 LEU MD1 2.500 . 2.500 2.242 2.091 2.513 0.013 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
152 1 13 LEU H 1 14 THR H 5.000 . 5.000 4.666 4.558 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
153 1 13 LEU HA 1 14 THR H 2.500 . 2.500 2.481 2.266 2.549 0.049 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
154 1 13 LEU HB2 1 13 LEU MD1 3.500 . 3.500 2.014 1.973 2.146 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
155 1 13 LEU HB2 1 13 LEU MD2 3.500 . 3.500 2.653 2.546 2.765 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
156 1 13 LEU HB3 1 14 THR H 3.500 . 3.500 2.630 2.435 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
157 1 13 LEU HB3 1 20 VAL MG1 3.500 . 3.500 3.425 2.982 3.528 0.028 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
158 1 13 LEU QD 1 25 CYS H 5.000 . 5.000 5.056 5.016 5.087 0.087 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
159 1 13 LEU MD1 1 24 HIS HD2 6.000 . 6.000 4.334 4.084 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
160 1 13 LEU MD1 1 24 HIS HE1 5.000 . 5.000 3.609 3.289 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
161 1 13 LEU MD2 1 14 THR H 5.000 . 5.000 3.963 3.715 4.437 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
162 1 13 LEU MD2 1 20 VAL HB 5.000 . 5.000 4.745 4.377 4.911 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
163 1 13 LEU MD2 1 20 VAL MG1 3.500 . 3.500 2.687 2.261 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
164 1 13 LEU MD2 1 21 ARG HA 5.000 . 5.000 3.336 2.958 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
165 1 13 LEU MD2 1 24 HIS HA 5.000 . 5.000 3.999 3.738 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
166 1 13 LEU MD2 1 24 HIS QB 3.500 . 3.500 2.133 2.007 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
167 1 13 LEU MD2 1 24 HIS HD2 5.000 . 5.000 4.176 3.819 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
168 1 13 LEU MD2 1 24 HIS HE1 6.000 . 6.000 4.007 3.503 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
169 1 13 LEU HG 1 14 THR H 5.000 . 5.000 3.993 3.878 4.139 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
170 1 14 THR H 1 14 THR HB 3.500 . 3.500 2.740 2.560 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
171 1 14 THR H 1 14 THR MG 2.500 . 2.500 2.090 2.074 2.188 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
172 1 14 THR H 1 15 HIS H 3.500 . 3.500 2.326 2.291 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
173 1 14 THR H 1 20 VAL MG1 5.000 . 5.000 4.344 3.870 4.985 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
174 1 14 THR HA 1 15 HIS H 5.000 . 5.000 3.571 3.543 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
175 1 14 THR HB 1 15 HIS H 5.000 . 5.000 4.095 4.029 4.202 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
176 1 14 THR MG 1 15 HIS H 5.000 . 5.000 2.139 2.120 2.168 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
177 1 14 THR MG 1 15 HIS HB2 5.000 . 5.000 3.171 3.023 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
178 1 14 THR MG 1 15 HIS HD2 3.500 . 3.500 2.742 2.616 3.192 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
179 1 14 THR MG 1 15 HIS HE1 3.500 . 3.500 3.406 2.692 3.510 0.010 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
180 1 15 HIS H 1 15 HIS HB2 2.500 . 2.500 2.462 2.431 2.520 0.020 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
181 1 15 HIS H 1 15 HIS HD2 5.000 . 5.000 3.950 3.816 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
182 1 15 HIS H 1 20 VAL MG2 5.000 . 5.000 4.442 3.788 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
183 1 15 HIS HA 1 15 HIS HB3 2.500 . 2.500 2.490 2.473 2.502 0.002 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
184 1 15 HIS HA 1 16 ASP H 2.500 . 2.500 2.313 2.247 2.567 0.067 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
185 1 15 HIS QB 1 20 VAL MG2 3.500 . 3.500 2.119 1.778 2.338 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
186 1 15 HIS HB2 1 15 HIS HD2 3.500 . 3.500 2.777 2.768 2.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
187 1 15 HIS HB2 1 17 SER H 5.000 . 5.000 4.756 4.009 5.003 0.003 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
188 1 15 HIS HB2 1 20 VAL MG1 3.500 . 3.500 1.926 1.843 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
189 1 15 HIS HB3 1 17 SER H 5.000 . 5.000 4.467 3.642 4.999 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
190 1 15 HIS HB3 1 20 VAL MG1 5.000 . 5.000 3.101 2.756 3.413 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
191 1 15 HIS HD2 1 20 VAL MG2 3.500 . 3.500 3.491 3.171 3.521 0.021 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
192 1 16 ASP H 1 16 ASP HB3 2.500 . 2.500 2.521 2.460 2.654 0.154 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
193 1 16 ASP H 1 17 SER H 5.000 . 5.000 3.938 3.603 4.395 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
194 1 16 ASP HA 1 16 ASP QB 2.500 . 2.500 2.353 2.205 2.385 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
195 1 16 ASP HA 1 17 SER H 2.500 . 2.500 2.374 2.278 2.579 0.079 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
196 1 16 ASP HA 1 20 VAL HB 5.000 . 5.000 3.789 3.679 3.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
197 1 16 ASP HA 1 20 VAL MG1 3.500 . 3.500 3.531 3.510 3.569 0.069 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
198 1 17 SER H 1 17 SER QB 3.500 . 3.500 2.561 2.229 3.041 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
199 1 17 SER H 1 18 PRO QD 5.000 . 5.000 4.390 4.365 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
200 1 17 SER H 1 20 VAL HB 3.500 . 3.500 2.171 2.127 2.300 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
201 1 17 SER H 1 20 VAL MG1 3.500 . 3.500 3.316 3.212 3.402 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
202 1 17 SER H 1 20 VAL MG2 5.000 . 5.000 3.345 2.586 3.522 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
203 1 17 SER H 1 21 ARG QD 5.000 . 5.000 3.570 2.844 4.981 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
204 1 17 SER H 1 21 ARG QG 6.000 . 6.000 2.669 2.323 3.885 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
205 1 17 SER HA 1 18 PRO HD2 3.500 . 3.500 2.881 2.806 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
206 1 17 SER HA 1 18 PRO HD3 2.500 . 2.500 2.532 2.514 2.545 0.045 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
207 1 17 SER QB 1 18 PRO QD 3.500 . 3.500 2.070 1.870 2.256 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
208 1 17 SER HB3 1 20 VAL MG2 3.500 . 3.500 2.755 2.393 3.501 0.001 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
209 1 18 PRO HA 1 21 ARG QB 3.500 . 3.500 3.341 3.067 3.509 0.009 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
210 1 18 PRO HA 1 21 ARG QD 5.000 . 5.000 3.583 2.774 5.001 0.001 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
211 1 18 PRO QB 1 19 SER H 5.000 . 5.000 3.284 3.176 3.364 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
212 1 18 PRO HG2 1 19 SER H 5.000 . 5.000 2.554 2.398 2.712 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
213 1 19 SER H 1 19 SER HB2 2.500 . 2.500 2.348 2.202 2.502 0.002 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
214 1 19 SER H 1 20 VAL H 3.500 . 3.500 2.422 2.348 2.569 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
215 1 19 SER H 1 20 VAL MG2 5.000 . 5.000 3.915 3.833 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
216 1 19 SER HA 1 20 VAL H 5.000 . 5.000 3.601 3.593 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
217 1 19 SER QB 1 20 VAL H 3.500 . 3.500 2.552 2.410 2.664 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
218 1 20 VAL H 1 20 VAL HB 2.500 . 2.500 2.476 2.427 2.506 0.006 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
219 1 20 VAL H 1 20 VAL MG2 3.500 . 3.500 2.152 2.101 2.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
220 1 20 VAL H 1 21 ARG H 3.500 . 3.500 2.863 2.694 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
221 1 20 VAL HA 1 21 ARG H 5.000 . 5.000 3.623 3.612 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
222 1 20 VAL HA 1 23 THR H 3.500 . 3.500 3.497 3.430 3.529 0.029 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
223 1 20 VAL HA 1 23 THR HB 3.500 . 3.500 2.392 2.329 2.451 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
224 1 20 VAL HA 1 23 THR MG 3.500 . 3.500 3.538 3.519 3.559 0.059 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
225 1 20 VAL HA 1 24 HIS H 5.000 . 5.000 4.098 3.944 4.227 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
226 1 20 VAL HB 1 21 ARG H 3.500 . 3.500 2.391 2.274 2.491 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
227 1 20 VAL MG1 1 21 ARG H 3.500 . 3.500 3.304 3.068 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
228 1 20 VAL MG1 1 21 ARG HA 5.000 . 5.000 3.598 3.349 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
229 1 20 VAL MG1 1 23 THR HB 5.000 . 5.000 3.535 3.321 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
230 1 21 ARG H 1 21 ARG HB2 2.500 . 2.500 2.357 2.276 2.444 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
231 1 21 ARG HA 1 22 LYS H 5.000 . 5.000 3.621 3.616 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
232 1 21 ARG HA 1 24 HIS H 3.500 . 3.500 3.504 3.459 3.521 0.021 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
233 1 21 ARG HA 1 24 HIS HB2 3.500 . 3.500 3.562 3.545 3.582 0.082 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
234 1 21 ARG QB 1 22 LYS H 3.500 . 3.500 2.382 2.297 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
235 1 22 LYS H 1 23 THR H 3.500 . 3.500 2.727 2.705 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
236 1 22 LYS HA 1 23 THR H 5.000 . 5.000 3.602 3.600 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
237 1 22 LYS HA 1 24 HIS H 5.000 . 5.000 4.336 4.288 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
238 1 22 LYS HA 1 25 CYS HB2 3.500 . 3.500 3.587 3.574 3.599 0.099 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
239 1 22 LYS HA 1 25 CYS QB 3.500 . 3.500 2.636 2.492 2.735 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
240 1 22 LYS HA 1 25 CYS HB3 3.500 . 3.500 2.713 2.542 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
241 1 22 LYS HB2 1 23 THR H 3.500 . 3.500 3.035 2.626 3.526 0.026 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
242 1 23 THR H 1 23 THR HB 2.500 . 2.500 2.491 2.382 2.519 0.019 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
243 1 23 THR H 1 24 HIS H 3.500 . 3.500 2.801 2.781 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
244 1 23 THR HA 1 23 THR MG 3.500 . 3.500 2.466 2.351 2.537 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
245 1 23 THR HA 1 24 HIS H 5.000 . 5.000 3.598 3.594 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
246 1 23 THR HA 1 26 SER H 5.000 . 5.000 4.492 4.097 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
247 1 23 THR HA 1 26 SER HB2 3.500 . 3.500 2.866 2.480 3.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
248 1 23 THR HB 1 24 HIS H 3.500 . 3.500 2.513 2.477 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
249 1 23 THR MG 1 24 HIS H 3.500 . 3.500 3.406 3.247 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
250 1 24 HIS H 1 24 HIS HB2 2.500 . 2.500 2.547 2.526 2.561 0.061 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
251 1 24 HIS H 1 25 CYS H 5.000 . 5.000 2.690 2.635 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
252 1 24 HIS H 1 26 SER H 5.000 . 5.000 4.863 4.618 5.016 0.016 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
253 1 24 HIS HA 1 24 HIS HB2 2.500 . 2.500 2.481 2.464 2.502 0.002 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
254 1 24 HIS HA 1 24 HIS HD2 5.000 . 5.000 4.327 4.248 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
255 1 24 HIS HA 1 25 CYS H 5.000 . 5.000 3.598 3.594 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
256 1 24 HIS HA 1 26 SER H 5.000 . 5.000 4.012 3.934 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
257 1 24 HIS HB2 1 25 CYS H 5.000 . 5.000 3.943 3.869 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
258 1 24 HIS HB3 1 24 HIS HD2 3.500 . 3.500 2.817 2.799 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
259 1 24 HIS HB3 1 25 CYS H 3.500 . 3.500 2.631 2.545 2.736 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
260 1 24 HIS HD2 1 25 CYS H 6.000 . 6.000 3.842 3.772 3.977 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
261 1 24 HIS HD2 1 30 HIS HD2 5.000 . 5.000 4.280 4.129 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
262 1 25 CYS H 1 25 CYS HB2 2.500 . 2.500 2.434 2.414 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
263 1 25 CYS H 1 25 CYS HB3 2.500 . 2.500 2.652 2.619 2.687 0.187 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
264 1 25 CYS H 1 26 SER H 3.500 . 3.500 3.364 3.103 3.512 0.012 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
265 1 25 CYS HA 1 27 GLY H 3.500 . 3.500 3.524 3.509 3.538 0.038 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
266 1 25 CYS QB 1 26 SER H 5.000 . 5.000 3.959 3.870 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
267 1 25 CYS HG 1 27 GLY H 5.000 . 5.000 4.651 4.397 4.911 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
268 1 25 CYS HG 1 30 HIS HD2 5.000 . 5.000 5.023 5.011 5.039 0.039 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
269 1 26 SER H 1 26 SER HB2 2.500 . 2.500 2.376 2.239 2.502 0.002 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
270 1 26 SER H 1 27 GLY H 5.000 . 5.000 2.842 2.780 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
271 1 26 SER HA 1 27 GLY H 5.000 . 5.000 2.957 2.922 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
272 1 27 GLY H 1 28 ARG H 5.000 . 5.000 4.285 4.122 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
273 1 27 GLY H 1 29 LYS H 5.000 . 5.000 5.077 4.932 5.130 0.130 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
274 1 27 GLY H 1 30 HIS HB2 6.000 . 6.000 3.461 3.334 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
275 1 27 GLY H 1 30 HIS HB3 5.000 . 5.000 4.128 3.943 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
276 1 27 GLY QA 1 28 ARG H 3.500 . 3.500 2.216 2.196 2.315 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
277 1 27 GLY HA2 1 30 HIS H 3.500 . 3.500 3.560 3.527 3.586 0.086 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
278 1 27 GLY HA3 1 28 ARG H 2.500 . 2.500 2.266 2.231 2.455 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
279 1 28 ARG H 1 28 ARG HB2 3.500 . 3.500 2.533 2.444 3.584 0.084 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
280 1 28 ARG H 1 28 ARG HB3 2.500 . 2.500 2.529 2.422 2.551 0.051 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
281 1 28 ARG H 1 29 LYS H 3.500 . 3.500 2.775 2.444 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
282 1 28 ARG HA 1 29 LYS H 5.000 . 5.000 3.548 3.464 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
283 1 28 ARG HA 1 31 LYS H 5.000 . 5.000 3.888 3.629 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
284 1 28 ARG HA 1 31 LYS QB 5.000 . 5.000 3.889 3.457 4.642 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
285 1 28 ARG QB 1 29 LYS H 3.500 . 3.500 2.941 2.797 3.541 0.041 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
286 1 28 ARG QG 1 29 LYS H 5.000 . 5.000 3.921 2.140 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
287 1 29 LYS H 1 29 LYS QB 3.500 . 3.500 2.200 2.084 2.423 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
288 1 29 LYS H 1 30 HIS H 3.500 . 3.500 2.711 2.378 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
289 1 29 LYS HA 1 30 HIS H 5.000 . 5.000 3.583 3.539 3.598 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
290 1 29 LYS HA 1 32 GLU H 3.500 . 3.500 3.383 3.224 3.511 0.011 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
291 1 29 LYS HA 1 32 GLU QB 3.500 . 3.500 2.859 2.648 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
292 1 29 LYS QB 1 30 HIS H 3.500 . 3.500 2.823 2.639 3.533 0.033 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
293 1 29 LYS QB 1 33 ASN HD21 6.000 . 6.000 3.557 2.506 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
294 1 29 LYS QB 1 33 ASN QD 5.000 . 5.000 2.832 2.057 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
295 1 29 LYS QD 1 33 ASN HD21 6.000 . 6.000 4.778 2.803 6.003 0.003 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
296 1 29 LYS QD 1 33 ASN QD 5.000 . 5.000 3.537 1.946 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
297 1 29 LYS QG 1 33 ASN QD 5.000 . 5.000 3.402 2.000 5.002 0.002 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
298 1 30 HIS H 1 30 HIS HB2 3.500 . 3.500 2.214 2.189 2.277 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
299 1 30 HIS H 1 31 LYS H 3.500 . 3.500 2.955 2.916 3.061 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
300 1 30 HIS H 1 33 ASN H 5.000 . 5.000 4.643 4.568 4.873 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
301 1 30 HIS HA 1 30 HIS HD2 5.000 . 5.000 2.949 2.820 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
302 1 30 HIS HA 1 31 LYS H 5.000 . 5.000 3.600 3.593 3.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
303 1 30 HIS HA 1 33 ASN H 3.500 . 3.500 3.480 3.310 3.517 0.017 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
304 1 30 HIS HA 1 33 ASN HB2 3.500 . 3.500 2.147 2.120 2.170 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
305 1 30 HIS HA 1 33 ASN HB3 3.500 . 3.500 3.538 3.526 3.567 0.067 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
306 1 30 HIS HA 1 33 ASN QD 3.500 . 3.500 2.558 2.159 3.491 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
307 1 30 HIS HA 1 34 VAL MG2 6.000 . 6.000 4.003 3.881 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
308 1 30 HIS QB 1 30 HIS HD2 3.500 . 3.500 2.865 2.841 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
309 1 30 HIS QB 1 31 LYS H 3.500 . 3.500 2.566 2.369 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
310 1 30 HIS HD2 1 34 VAL MG2 5.000 . 5.000 5.002 4.716 5.057 0.057 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
311 1 30 HIS HE1 1 34 VAL MG2 3.500 . 3.500 3.491 3.159 3.518 0.018 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
312 1 31 LYS H 1 31 LYS QB 3.500 . 3.500 2.163 2.111 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
313 1 31 LYS H 1 32 GLU H 3.500 . 3.500 2.858 2.803 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
314 1 31 LYS HA 1 32 GLU H 5.000 . 5.000 3.620 3.617 3.623 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
315 1 31 LYS HA 1 34 VAL H 3.500 . 3.500 3.554 3.536 3.567 0.067 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
316 1 31 LYS HA 1 34 VAL MG2 3.500 . 3.500 2.679 2.452 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
317 1 31 LYS QB 1 32 GLU H 3.500 . 3.500 2.256 2.175 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
318 1 31 LYS QG 1 50 ILE MG 3.500 . 3.500 3.402 2.956 3.522 0.022 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
319 1 31 LYS QG 1 54 THR MG 5.000 . 5.000 3.690 2.273 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
320 1 32 GLU H 1 32 GLU QB 2.500 . 2.500 2.195 2.133 2.266 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
321 1 32 GLU H 1 33 ASN H 3.500 . 3.500 2.733 2.709 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
322 1 32 GLU H 1 34 VAL H 5.000 . 5.000 4.280 4.238 4.338 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
323 1 32 GLU HA 1 35 LYS H 3.500 . 3.500 3.443 3.303 3.525 0.025 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
324 1 32 GLU HA 1 35 LYS QB 3.500 . 3.500 3.110 2.724 3.504 0.004 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
325 1 32 GLU QB 1 33 ASN H 3.500 . 3.500 2.602 2.521 2.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
326 1 32 GLU HB3 1 33 ASN H 3.500 . 3.500 2.977 2.559 3.504 0.004 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
327 1 33 ASN H 1 33 ASN HB2 3.500 . 3.500 2.255 2.208 2.267 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
328 1 33 ASN H 1 34 VAL H 3.500 . 3.500 2.826 2.812 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
329 1 33 ASN H 1 34 VAL MG2 5.000 . 5.000 4.294 4.228 4.386 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
330 1 33 ASN HA 1 34 VAL H 5.000 . 5.000 3.598 3.595 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
331 1 33 ASN HA 1 36 ASP QB 3.500 . 3.500 3.260 2.604 3.512 0.012 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
332 1 33 ASN HB2 1 34 VAL H 5.000 . 5.000 2.771 2.734 2.835 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
333 1 33 ASN HB2 1 34 VAL MG2 5.000 . 5.000 3.507 3.332 3.757 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
334 1 33 ASN HB3 1 34 VAL H 3.500 . 3.500 3.480 3.442 3.510 0.010 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
335 1 34 VAL H 1 34 VAL HB 2.500 . 2.500 2.420 2.358 2.487 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
336 1 34 VAL H 1 35 LYS H 3.500 . 3.500 2.810 2.706 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
337 1 34 VAL HA 1 37 TYR H 3.500 . 3.500 3.296 3.256 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
338 1 34 VAL HA 1 37 TYR QB 3.500 . 3.500 2.903 2.686 3.060 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
339 1 34 VAL MG1 1 35 LYS H 5.000 . 5.000 3.523 3.332 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
340 1 34 VAL MG1 1 38 TYR QD 2.500 . 2.500 2.437 1.974 2.525 0.025 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
341 1 34 VAL MG1 1 38 TYR QE 3.500 . 3.500 1.918 1.846 1.957 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
342 1 34 VAL MG1 1 50 ILE HB 5.000 . 5.000 4.146 3.801 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
343 1 34 VAL MG1 1 50 ILE MD 5.000 . 5.000 1.782 1.666 1.922 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
344 1 34 VAL MG1 1 50 ILE MG 3.500 . 3.500 2.161 1.877 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
345 1 34 VAL MG2 1 37 TYR H 5.000 . 5.000 5.071 5.034 5.097 0.097 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
346 1 34 VAL MG2 1 50 ILE MG 5.000 . 5.000 3.175 2.723 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
347 1 34 VAL MG2 1 54 THR MG 3.500 . 3.500 3.405 2.931 3.542 0.042 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
348 1 35 LYS H 1 35 LYS QB 3.500 . 3.500 2.203 2.115 2.421 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
349 1 35 LYS H 1 36 ASP H 3.500 . 3.500 2.850 2.729 2.898 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
350 1 35 LYS HA 1 36 ASP H 5.000 . 5.000 3.591 3.587 3.606 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
351 1 35 LYS HA 1 38 TYR H 3.500 . 3.500 3.568 3.543 3.591 0.091 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
352 1 35 LYS HA 1 38 TYR QD 6.000 . 6.000 3.438 3.313 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
353 1 35 LYS QB 1 36 ASP H 3.500 . 3.500 2.528 2.439 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
354 1 36 ASP H 1 36 ASP QB 2.500 . 2.500 2.231 2.228 2.234 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
355 1 36 ASP H 1 37 TYR H 3.500 . 3.500 2.788 2.762 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
356 1 36 ASP HA 1 36 ASP HB2 2.500 . 2.500 2.502 2.498 2.506 0.006 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
357 1 36 ASP HA 1 37 TYR H 5.000 . 5.000 3.579 3.562 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
358 1 36 ASP HA 1 39 GLN QB 3.500 . 3.500 2.330 2.082 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
359 1 36 ASP QB 1 37 TYR H 3.500 . 3.500 2.803 2.680 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
360 1 37 TYR H 1 37 TYR HB2 3.500 . 3.500 2.483 2.401 2.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
361 1 37 TYR H 1 38 TYR QE 5.000 . 5.000 5.039 5.017 5.060 0.060 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
362 1 37 TYR HA 1 37 TYR HB2 2.500 . 2.500 2.510 2.466 2.532 0.032 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
363 1 37 TYR HA 1 37 TYR QD 3.500 . 3.500 2.715 2.124 3.099 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
364 1 37 TYR HB3 1 38 TYR H 3.500 . 3.500 2.324 2.281 2.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
365 1 37 TYR QD 1 38 TYR HA 5.000 . 5.000 3.649 3.017 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
366 1 37 TYR QD 1 41 TRP HB2 6.000 . 6.000 5.281 4.528 6.003 0.003 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
367 1 37 TYR QE 1 41 TRP HB2 6.000 . 6.000 5.593 4.928 6.045 0.045 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
368 1 38 TYR H 1 39 GLN H 3.500 . 3.500 2.974 2.804 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
369 1 38 TYR HA 1 38 TYR QB 2.500 . 2.500 2.193 2.190 2.196 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
370 1 38 TYR HA 1 41 TRP H 3.500 . 3.500 3.397 2.960 3.537 0.037 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
371 1 38 TYR HA 1 41 TRP HB2 3.500 . 3.500 2.488 1.995 2.924 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
372 1 38 TYR HA 1 41 TRP HD1 6.000 . 6.000 5.540 4.752 6.014 0.014 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
373 1 38 TYR HA 1 41 TRP HE3 5.000 . 5.000 4.143 3.033 5.014 0.014 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
374 1 38 TYR QB 1 39 GLN H 5.000 . 5.000 4.119 4.084 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
375 1 38 TYR QD 1 46 ALA MB 5.000 . 5.000 2.402 1.970 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
376 1 38 TYR QD 1 49 LEU MD2 5.000 . 5.000 4.522 3.872 5.011 0.011 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
377 1 38 TYR QD 1 50 ILE MD 3.500 . 3.500 2.560 2.173 3.155 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
378 1 38 TYR QD 1 50 ILE MG 5.000 . 5.000 4.699 4.323 5.006 0.006 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
379 1 38 TYR QE 1 46 ALA MB 3.500 . 3.500 2.739 1.938 3.508 0.008 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
380 1 38 TYR QE 1 49 LEU MD2 5.000 . 5.000 4.858 4.229 5.022 0.022 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
381 1 39 GLN H 1 39 GLN QB 2.500 . 2.500 2.209 2.098 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
382 1 39 GLN H 1 40 LYS H 3.500 . 3.500 2.503 2.343 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
383 1 39 GLN HA 1 40 LYS H 3.500 . 3.500 3.581 3.575 3.599 0.099 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
384 1 39 GLN HA 1 41 TRP HB2 6.000 . 6.000 5.956 5.553 6.061 0.061 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
385 1 39 GLN QB 1 40 LYS H 3.500 . 3.500 2.628 2.119 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
386 1 40 LYS H 1 41 TRP H 4.000 . 4.000 2.691 2.343 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
387 1 40 LYS HA 1 41 TRP H 5.000 . 5.000 3.111 2.957 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
388 1 40 LYS QB 1 41 TRP H 3.500 . 3.500 3.659 2.704 3.782 0.282 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
389 1 41 TRP H 1 41 TRP QB 3.500 . 3.500 2.258 2.137 2.346 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
390 1 41 TRP H 1 41 TRP HD1 5.000 . 5.000 4.788 4.442 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
391 1 41 TRP H 1 42 MET H 3.500 . 3.500 2.552 2.331 3.070 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
392 1 41 TRP HA 1 41 TRP HB2 2.500 . 2.500 2.509 2.459 2.581 0.081 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
393 1 41 TRP HA 1 41 TRP HD1 3.500 . 3.500 2.153 1.998 2.315 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
394 1 41 TRP HA 1 42 MET H 5.000 . 5.000 3.612 3.588 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
395 1 41 TRP QB 1 42 MET H 5.000 . 5.000 2.432 2.127 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
396 1 41 TRP HB2 1 41 TRP HD1 3.500 . 3.500 3.205 2.984 3.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
397 1 41 TRP HB3 1 43 GLU H 5.000 . 5.000 4.558 3.693 5.089 0.089 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
398 1 41 TRP HD1 1 42 MET ME 3.500 . 3.500 3.517 3.344 3.554 0.054 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
399 1 41 TRP HE3 1 42 MET H 5.000 . 5.000 4.372 3.474 4.983 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
400 1 41 TRP HE3 1 42 MET ME 3.500 . 3.500 3.152 2.688 3.484 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
401 1 41 TRP HE3 1 46 ALA MB 5.000 . 5.000 4.051 2.868 5.023 0.023 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
402 1 41 TRP HE3 1 49 LEU MD2 5.000 . 5.000 4.323 3.704 4.835 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
403 1 41 TRP HH2 1 42 MET ME 3.500 . 3.500 3.369 3.147 3.519 0.019 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
404 1 41 TRP HH2 1 49 LEU MD2 5.000 . 5.000 4.795 3.926 5.022 0.022 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
405 1 41 TRP HZ3 1 42 MET ME 3.500 . 3.500 3.442 3.149 3.528 0.028 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
406 1 41 TRP HZ3 1 49 LEU MD2 5.000 . 5.000 3.228 2.291 3.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
407 1 42 MET H 1 43 GLU H 3.500 . 3.500 2.506 2.263 3.113 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
408 1 42 MET HA 1 43 GLU H 5.000 . 5.000 3.383 2.621 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
409 1 42 MET QB 1 43 GLU H 5.000 . 5.000 2.790 2.115 4.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
410 1 43 GLU HA 1 44 GLU H 5.000 . 5.000 2.917 2.374 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
411 1 44 GLU HA 1 45 GLN H 5.000 . 5.000 3.065 2.261 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
412 1 45 GLN HA 1 46 ALA H 2.500 . 2.500 2.434 2.252 2.550 0.050 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
413 1 46 ALA HA 1 47 GLN H 2.500 . 2.500 2.534 2.440 2.660 0.160 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
414 1 46 ALA HA 1 49 LEU MD2 3.500 . 3.500 3.544 3.520 3.566 0.066 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
415 1 46 ALA MB 1 47 GLN H 5.000 . 5.000 3.718 2.164 3.759 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
416 1 47 GLN H 1 48 SER H 5.000 . 5.000 2.788 2.397 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
417 1 47 GLN HA 1 48 SER H 3.500 . 3.500 2.982 2.952 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
418 1 47 GLN HA 1 50 ILE HB 3.500 . 3.500 3.322 3.083 3.512 0.012 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
419 1 47 GLN HA 1 50 ILE QG 3.500 . 3.500 3.029 2.928 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
420 1 47 GLN QE 1 50 ILE MG 6.000 . 6.000 5.157 3.007 6.017 0.017 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
421 1 47 GLN QG 1 50 ILE MD 5.000 . 5.000 5.036 5.020 5.052 0.052 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
422 1 48 SER H 1 49 LEU H 3.500 . 3.500 2.308 2.290 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
423 1 48 SER H 1 49 LEU MD2 3.500 . 3.500 2.913 2.694 3.506 0.006 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
424 1 48 SER HA 1 49 LEU H 5.000 . 5.000 3.619 3.613 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
425 1 48 SER HA 1 51 ASP QB 3.500 . 3.500 3.436 2.954 3.530 0.030 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
426 1 48 SER QB 1 49 LEU H 5.000 . 5.000 2.508 2.162 3.241 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
427 1 48 SER QB 1 49 LEU MD2 5.000 . 5.000 3.546 3.196 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
428 1 49 LEU H 1 49 LEU HB3 3.500 . 3.500 2.515 2.476 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
429 1 49 LEU H 1 49 LEU MD2 3.500 . 3.500 2.109 2.088 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
430 1 49 LEU HA 1 49 LEU QB 2.500 . 2.500 2.201 2.200 2.204 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
431 1 49 LEU HA 1 50 ILE H 3.500 . 3.500 3.536 3.530 3.558 0.058 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
432 1 49 LEU HB2 1 50 ILE H 5.000 . 5.000 4.089 3.971 4.113 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
433 1 49 LEU MD1 1 50 ILE HA 5.000 . 5.000 3.599 2.658 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
434 1 49 LEU HG 1 50 ILE MD 3.500 . 3.500 2.954 2.712 3.476 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
435 1 50 ILE H 1 50 ILE HB 2.500 . 2.500 2.439 2.421 2.472 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
436 1 50 ILE H 1 50 ILE MD 3.500 . 3.500 3.282 3.203 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
437 1 50 ILE H 1 50 ILE HG12 3.500 . 3.500 2.126 2.103 2.153 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
438 1 50 ILE H 1 50 ILE HG13 3.500 . 3.500 3.556 3.545 3.572 0.072 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
439 1 50 ILE H 1 51 ASP H 3.500 . 3.500 2.646 2.471 2.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
440 1 50 ILE HA 1 50 ILE MD 3.500 . 3.500 2.042 1.946 2.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
441 1 50 ILE HA 1 50 ILE MG 2.500 . 2.500 2.370 2.287 2.474 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
442 1 50 ILE HA 1 53 THR HB 3.500 . 3.500 3.222 2.540 3.516 0.016 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
443 1 50 ILE HB 1 51 ASP H 3.500 . 3.500 2.473 2.220 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
444 1 50 ILE MD 1 50 ILE MG 3.500 . 3.500 1.840 1.680 2.001 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
445 1 50 ILE MG 1 51 ASP H 3.500 . 3.500 3.372 3.129 3.513 0.013 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
446 1 51 ASP H 1 51 ASP QB 3.500 . 3.500 2.206 2.104 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
447 1 51 ASP H 1 52 LYS H 3.500 . 3.500 2.724 2.424 2.873 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
448 1 51 ASP HA 1 52 LYS H 5.000 . 5.000 3.594 3.588 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
449 1 51 ASP HA 1 54 THR MG 3.500 . 3.500 3.488 3.139 3.529 0.029 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
450 1 52 LYS H 1 52 LYS QB 3.500 . 3.500 2.208 2.106 2.441 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
451 1 52 LYS H 1 53 THR H 3.500 . 3.500 2.749 2.385 2.866 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
452 1 52 LYS HA 1 55 ALA MB 3.500 . 3.500 3.362 2.724 3.521 0.021 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
453 1 52 LYS QB 1 53 THR H 3.500 . 3.500 2.706 2.568 2.834 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
454 1 53 THR H 1 53 THR HB 2.500 . 2.500 2.480 2.451 2.525 0.025 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
455 1 53 THR H 1 54 THR H 3.500 . 3.500 2.452 2.364 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
456 1 53 THR HA 1 56 ALA MB 3.500 . 3.500 3.140 2.207 3.520 0.020 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
457 1 53 THR MG 1 54 THR H 5.000 . 5.000 3.561 3.386 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
458 1 54 THR H 1 54 THR MG 2.500 . 2.500 2.268 2.110 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
459 1 54 THR H 1 55 ALA H 3.500 . 3.500 2.720 2.463 2.856 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
460 1 54 THR HA 1 54 THR MG 2.500 . 2.500 2.302 2.106 2.436 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
461 1 54 THR HA 1 57 PHE QB 3.500 . 3.500 3.117 2.071 3.517 0.017 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
462 1 54 THR MG 1 57 PHE QD 5.000 . 5.000 4.580 3.582 5.014 0.014 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
463 1 55 ALA H 1 56 ALA H 3.500 . 3.500 2.562 2.366 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
464 1 55 ALA HA 1 56 ALA H 5.000 . 5.000 3.597 3.586 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
465 1 55 ALA MB 1 56 ALA H 3.500 . 3.500 2.541 2.318 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
466 1 56 ALA H 1 57 PHE H 3.500 . 3.500 3.048 2.382 3.519 0.019 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
467 1 56 ALA HA 1 57 PHE H 5.000 . 5.000 3.143 2.652 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
468 1 56 ALA MB 1 57 PHE H 3.500 . 3.500 3.249 2.539 3.735 0.235 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
469 1 57 PHE H 1 58 GLN H 3.500 . 3.500 2.588 2.347 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
470 1 57 PHE HA 1 58 GLN H 5.000 . 5.000 3.585 3.283 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
471 1 57 PHE QB 1 58 GLN H 3.500 . 3.500 2.577 2.145 3.575 0.075 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
472 1 58 GLN H 1 59 GLN H 3.500 . 3.500 2.943 2.330 3.557 0.057 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
473 1 58 GLN HA 1 59 GLN H 5.000 . 5.000 3.022 2.335 3.632 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
474 1 59 GLN H 1 60 GLY H 3.500 . 3.500 2.916 2.340 3.507 0.007 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
475 1 59 GLN HA 1 60 GLY H 5.000 . 5.000 3.011 2.394 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
476 1 59 GLN QB 1 60 GLY H 5.000 . 5.000 3.337 2.132 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
477 1 60 GLY H 1 61 LYS H 3.500 . 3.500 3.046 2.347 3.517 0.017 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
478 1 60 GLY QA 1 61 LYS H 5.000 . 5.000 2.479 2.211 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
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