NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454806 |
3gcc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_3gcc
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 938
_Distance_constraint_stats_list.Viol_count 1286
_Distance_constraint_stats_list.Viol_total 2432.246
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0411
_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 4 LYS 0.800 0.070 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 5 HIS 0.800 0.070 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 6 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 7 ARG 0.381 0.109 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 8 GLY 0.441 0.109 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 9 VAL 1.638 0.158 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 GLN 0.059 0.044 23 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 ARG 1.603 0.157 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 13 PRO 1.015 0.157 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 14 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 LYS 0.107 0.107 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 PHE 0.751 0.081 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 ALA 0.135 0.029 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 ALA 0.388 0.076 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 ILE 1.628 0.198 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 ASP 0.000 0.000 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 PRO 0.654 0.043 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 ALA 3.539 0.091 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 26 LYS 0.182 0.068 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 ASN 0.131 0.068 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 GLY 0.024 0.018 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 VAL 0.537 0.092 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 TRP 1.360 0.059 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 LEU 6.125 0.230 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 35 THR 1.175 0.059 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 36 PHE 0.709 0.076 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 THR 0.501 0.117 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 39 ALA 0.424 0.066 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 40 GLU 2.115 0.065 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 ASP 6.232 0.117 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 42 ALA 2.752 0.158 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 43 ALA 1.253 0.062 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 44 LEU 6.052 0.118 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 ALA 3.220 0.066 12 0 "[ . 1 . 2 . 3 . 4 . ]"
1 46 TYR 1.212 0.099 12 0 "[ . 1 . 2 . 3 . 4 . ]"
1 47 ASP 7.316 0.100 3 0 "[ . 1 . 2 . 3 . 4 . ]"
1 48 ARG 5.981 0.077 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 ALA 9.235 0.230 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 ALA 0.313 0.065 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 PHE 2.593 0.111 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 ARG 2.526 0.061 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 MET 3.940 0.198 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 54 ARG 3.754 0.162 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 GLY 0.544 0.063 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 ARG 0.249 0.071 12 0 "[ . 1 . 2 . 3 . 4 . ]"
1 58 ALA 0.844 0.162 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 59 LEU 0.595 0.105 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 60 LEU 2.616 0.077 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 61 ASN 0.253 0.027 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 62 PHE 1.681 0.118 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 63 PRO 1.133 0.065 30 0 "[ . 1 . 2 . 3 . 4 . ]"
1 64 LEU 0.376 0.073 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 65 ARG 0.562 0.073 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 66 VAL 0.299 0.070 46 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 4 LYS HA 1 4 LYS QD 4.000 . 5.000 3.512 1.885 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
2 1 5 HIS HA 1 5 HIS HD2 5.000 . 6.000 3.313 1.872 4.796 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
3 1 6 TYR H 1 6 TYR HB3 4.000 . 5.000 3.674 3.597 3.859 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
4 1 6 TYR H 1 6 TYR HB2 4.000 . 5.000 2.489 2.353 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
5 1 6 TYR H 1 6 TYR QD 4.000 . 5.000 3.364 2.756 3.832 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
6 1 6 TYR HA 1 6 TYR HB3 2.500 . 2.800 2.510 2.422 2.578 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
7 1 6 TYR HA 1 6 TYR HB2 3.000 . 3.500 3.030 3.019 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
8 1 6 TYR HA 1 6 TYR QD 3.000 . 3.500 1.961 1.817 2.376 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
9 1 6 TYR HA 1 6 TYR QE 4.000 . 5.000 4.225 4.135 4.395 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
10 1 6 TYR HB3 1 6 TYR QD 3.000 . 3.500 2.733 2.586 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
11 1 6 TYR HB3 1 6 TYR QE 4.000 . 5.000 4.516 4.487 4.530 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
12 1 6 TYR HB2 1 6 TYR QD 2.500 . 2.800 2.333 2.299 2.385 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
13 1 6 TYR HB2 1 6 TYR QE 4.000 . 5.000 4.419 4.404 4.436 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
14 1 7 ARG H 1 7 ARG QB 3.000 . 3.500 2.439 2.091 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
15 1 7 ARG H 1 7 ARG QG 3.000 . 3.500 2.523 1.811 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
16 1 7 ARG H 1 7 ARG QD 5.000 . 6.000 3.422 1.891 4.776 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
17 1 7 ARG HA 1 7 ARG QB 2.500 . 2.800 2.360 2.182 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
18 1 7 ARG HA 1 7 ARG QG 3.000 . 3.500 2.514 1.989 3.270 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
19 1 7 ARG HA 1 7 ARG QD 4.000 . 5.000 3.347 1.961 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
20 1 7 ARG QB 1 7 ARG QD 2.500 . 2.800 2.055 1.878 2.236 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
21 1 9 VAL H 1 9 VAL HB 2.500 . 2.800 2.608 2.465 2.833 0.033 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
22 1 9 VAL H 1 9 VAL MG2 4.000 . 5.000 2.562 2.099 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
23 1 9 VAL HA 1 9 VAL HB 3.000 . 3.500 3.033 3.023 3.037 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
24 1 10 ARG H 1 10 ARG HB3 4.000 . 5.000 3.331 2.411 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
25 1 10 ARG H 1 10 ARG HB2 4.000 . 5.000 2.486 2.161 3.700 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
26 1 10 ARG H 1 10 ARG QG 4.000 . 5.000 3.303 2.035 4.118 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
27 1 10 ARG HA 1 10 ARG HB3 3.000 . 3.500 2.719 2.390 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
28 1 10 ARG HA 1 10 ARG HB2 3.000 . 3.500 2.871 2.412 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
29 1 11 GLN HA 1 11 GLN QB 2.500 . 2.800 2.203 2.172 2.399 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
30 1 12 ARG H 1 12 ARG QB 3.000 . 3.500 2.479 2.023 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
31 1 12 ARG H 1 12 ARG QG 4.000 . 5.000 3.102 1.812 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
32 1 12 ARG QB 1 12 ARG QD 3.000 . 3.500 2.103 1.904 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
33 1 14 TRP HA 1 14 TRP HD1 5.000 . 6.000 3.496 2.124 4.632 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
34 1 14 TRP HA 1 14 TRP HE3 4.000 . 5.000 3.520 1.851 4.944 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
35 1 14 TRP QB 1 14 TRP HD1 3.000 . 3.500 2.669 2.476 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
36 1 16 LYS H 1 16 LYS QB 3.000 . 3.500 2.648 2.270 3.188 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
37 1 16 LYS H 1 16 LYS QG 4.000 . 5.000 3.162 2.462 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
38 1 17 PHE H 1 17 PHE HB3 4.000 . 5.000 3.847 3.647 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
39 1 17 PHE H 1 17 PHE HB2 4.000 . 5.000 2.738 2.387 2.916 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
40 1 17 PHE H 1 17 PHE QD 4.000 . 5.000 2.902 2.307 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
41 1 17 PHE HA 1 17 PHE HB3 3.000 . 3.500 2.544 2.476 2.584 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
42 1 17 PHE HA 1 17 PHE HB2 3.000 . 3.500 3.030 3.021 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
43 1 17 PHE HA 1 17 PHE QD 3.000 . 3.500 2.979 2.060 3.140 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
44 1 17 PHE HA 1 17 PHE QE 5.000 . 6.000 4.554 4.247 4.671 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
45 1 17 PHE HB3 1 17 PHE QD 3.000 . 3.500 2.358 2.302 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
46 1 17 PHE HB3 1 17 PHE QE 4.000 . 5.000 4.432 4.412 4.478 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
47 1 17 PHE HB2 1 17 PHE QD 3.000 . 3.500 2.525 2.372 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
48 1 17 PHE HB2 1 17 PHE QE 4.000 . 5.000 4.474 4.437 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
49 1 19 ALA H 1 19 ALA MB 3.000 . 3.500 2.256 2.102 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
50 1 20 GLU H 1 20 GLU QG 4.000 . 5.000 3.115 2.087 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
51 1 21 ILE H 1 21 ILE HB 4.000 . 5.000 3.326 3.091 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
52 1 21 ILE H 1 21 ILE HG13 5.000 . 6.000 4.786 4.687 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
53 1 21 ILE H 1 21 ILE HG12 4.000 . 5.000 4.409 4.264 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
54 1 21 ILE H 1 21 ILE MG 4.000 . 5.000 2.094 1.845 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
55 1 21 ILE H 1 21 ILE MD 5.000 . 6.000 4.662 4.482 4.939 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
56 1 21 ILE HA 1 21 ILE HB 2.500 . 2.800 2.452 2.386 2.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
57 1 21 ILE HA 1 21 ILE HG13 2.500 . 2.800 2.559 2.372 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
58 1 21 ILE HA 1 21 ILE HG12 3.000 . 3.500 3.061 2.865 3.288 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
59 1 21 ILE HB 1 21 ILE HG13 2.500 . 2.800 2.456 2.397 2.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
60 1 21 ILE HB 1 21 ILE HG12 3.000 . 3.500 3.034 3.026 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
61 1 21 ILE HB 1 21 ILE MD 3.000 . 3.500 2.355 2.126 2.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
62 1 22 ARG H 1 22 ARG QB 3.000 . 3.500 2.372 2.198 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
63 1 22 ARG H 1 22 ARG QG 4.000 . 5.000 3.418 1.933 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
64 1 23 ASP H 1 23 ASP HA 3.000 . 3.500 2.985 2.956 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
65 1 23 ASP H 1 23 ASP HB3 3.000 . 3.500 2.746 2.495 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
66 1 23 ASP H 1 23 ASP HB2 3.000 . 3.500 2.904 2.595 3.245 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
67 1 23 ASP HA 1 23 ASP HB3 3.000 . 3.500 3.024 3.000 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
68 1 23 ASP HA 1 23 ASP HB2 2.500 . 2.800 2.547 2.455 2.634 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
69 1 25 ALA H 1 25 ALA HA 2.500 . 2.800 2.862 2.836 2.891 0.091 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
70 1 25 ALA H 1 25 ALA MB 3.000 . 3.500 2.152 2.041 2.261 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
71 1 26 LYS H 1 26 LYS HB3 4.000 . 5.000 3.682 3.592 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
72 1 26 LYS H 1 26 LYS HB2 3.000 . 3.500 2.490 2.308 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
73 1 26 LYS H 1 26 LYS QG 4.000 . 5.000 2.597 2.172 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
74 1 26 LYS HA 1 26 LYS HB3 3.000 . 3.500 2.492 2.384 2.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
75 1 26 LYS HA 1 26 LYS HB2 3.000 . 3.500 3.031 3.013 3.037 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
76 1 26 LYS HA 1 26 LYS QG 3.000 . 3.500 2.563 2.138 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
77 1 26 LYS HB3 1 26 LYS QG 2.500 . 2.800 2.469 2.342 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
78 1 26 LYS HB3 1 26 LYS QD 2.500 . 2.800 2.182 1.935 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
79 1 26 LYS HB3 1 26 LYS QE 4.000 . 5.000 3.487 2.268 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
80 1 26 LYS QE 1 26 LYS QG 3.000 . 3.500 2.085 1.879 2.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
81 1 27 ASN H 1 27 ASN HA 2.500 . 2.800 2.369 2.344 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
82 1 29 ALA H 1 29 ALA HA 3.000 . 3.500 2.910 2.346 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
83 1 29 ALA H 1 29 ALA MB 3.000 . 3.500 2.521 2.085 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
84 1 30 ARG H 1 30 ARG QB 2.500 . 2.800 2.403 2.130 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
85 1 30 ARG H 1 30 ARG QG 3.000 . 3.500 2.439 1.955 3.121 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
86 1 30 ARG H 1 30 ARG QD 5.000 . 6.000 3.480 2.018 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
87 1 30 ARG HA 1 30 ARG QB 2.500 . 2.800 2.321 2.195 2.517 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
88 1 30 ARG QB 1 30 ARG QD 2.500 . 2.800 2.060 1.880 2.209 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
89 1 31 VAL H 1 31 VAL HA 3.000 . 3.500 2.982 2.879 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
90 1 31 VAL H 1 31 VAL HB 2.500 . 2.800 2.594 2.334 2.816 0.016 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
91 1 31 VAL H 1 31 VAL MG2 4.000 . 5.000 3.081 2.423 3.361 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
92 1 31 VAL HA 1 31 VAL HB 3.000 . 3.500 3.025 3.013 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
93 1 31 VAL HA 1 31 VAL MG1 3.000 . 3.500 2.463 2.364 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
94 1 31 VAL HA 1 31 VAL MG2 3.000 . 3.500 2.209 2.096 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
95 1 32 TRP H 1 32 TRP HA 3.000 . 3.500 2.918 2.855 2.993 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
96 1 32 TRP H 1 32 TRP HB3 3.000 . 3.500 2.534 2.476 2.616 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
97 1 32 TRP H 1 32 TRP HB2 3.000 . 3.500 2.653 2.516 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
98 1 32 TRP H 1 32 TRP HD1 5.000 . 6.000 4.770 4.606 4.896 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
99 1 32 TRP H 1 32 TRP HE3 5.000 . 6.000 5.026 4.824 5.460 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
100 1 32 TRP HA 1 32 TRP HB2 3.000 . 3.500 2.487 2.471 2.506 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
101 1 32 TRP HA 1 32 TRP HD1 4.000 . 5.000 3.642 3.469 3.809 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
102 1 32 TRP HA 1 32 TRP HE3 4.000 . 5.000 3.874 3.639 4.062 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
103 1 32 TRP HB3 1 32 TRP HD1 3.000 . 3.500 2.863 2.779 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
104 1 32 TRP HB3 1 32 TRP HE3 4.000 . 5.000 3.953 3.877 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
105 1 32 TRP HB2 1 32 TRP HE3 3.000 . 3.500 2.485 2.464 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
106 1 33 LEU H 1 33 LEU HB3 4.000 . 5.000 3.597 3.453 3.632 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
107 1 33 LEU H 1 33 LEU HB2 3.000 . 3.500 2.455 2.133 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
108 1 33 LEU H 1 33 LEU HG 4.000 . 5.000 2.493 1.814 3.645 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
109 1 33 LEU H 1 33 LEU MD1 5.000 . 6.000 2.860 2.025 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
110 1 33 LEU H 1 33 LEU MD2 5.000 . 6.000 3.802 3.007 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
111 1 33 LEU HA 1 33 LEU HB3 3.000 . 3.500 2.545 2.381 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
112 1 33 LEU HA 1 33 LEU HB2 3.000 . 3.500 3.017 2.927 3.037 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
113 1 33 LEU HA 1 33 LEU HG 3.000 . 3.500 2.482 1.954 3.174 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
114 1 33 LEU HA 1 33 LEU MD1 4.000 . 5.000 3.674 2.989 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
115 1 33 LEU HA 1 33 LEU MD2 4.000 . 5.000 2.629 1.941 3.447 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
116 1 33 LEU HB3 1 33 LEU HG 3.000 . 3.500 2.928 2.693 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
117 1 33 LEU HB3 1 33 LEU MD2 3.000 . 3.500 2.076 1.875 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
118 1 33 LEU HB2 1 33 LEU HG 3.000 . 3.500 2.735 2.508 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
119 1 33 LEU HB2 1 33 LEU MD1 3.000 . 3.500 2.093 1.893 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
120 1 35 THR H 1 35 THR HB 4.000 . 5.000 3.594 3.574 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
121 1 35 THR H 1 35 THR MG 3.000 . 3.500 1.883 1.808 2.077 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
122 1 35 THR HA 1 35 THR HB 3.000 . 3.500 2.319 2.249 2.353 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
123 1 36 PHE H 1 36 PHE HA 3.000 . 3.500 2.978 2.930 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
124 1 36 PHE H 1 36 PHE HB3 4.000 . 5.000 3.794 3.714 3.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
125 1 36 PHE H 1 36 PHE HB2 3.000 . 3.500 2.652 2.501 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
126 1 36 PHE H 1 36 PHE QD 4.000 . 5.000 2.976 2.625 3.408 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
127 1 36 PHE H 1 36 PHE QE 5.000 . 6.000 5.099 4.826 5.374 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
128 1 36 PHE HA 1 36 PHE HB3 3.000 . 3.500 2.561 2.529 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
129 1 36 PHE HA 1 36 PHE HB2 3.000 . 3.500 3.023 3.017 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
130 1 36 PHE HA 1 36 PHE QD 3.000 . 3.500 2.952 2.818 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
131 1 36 PHE HA 1 36 PHE QE 4.000 . 5.000 4.497 4.460 4.522 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
132 1 36 PHE HB3 1 36 PHE QD 2.500 . 2.800 2.373 2.346 2.425 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
133 1 36 PHE HB3 1 36 PHE QE 4.000 . 5.000 4.435 4.425 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
134 1 36 PHE HB2 1 36 PHE QD 2.500 . 2.800 2.460 2.408 2.499 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
135 1 36 PHE HB2 1 36 PHE QE 4.000 . 5.000 4.462 4.447 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
136 1 37 GLU H 1 37 GLU HA 3.000 . 3.500 2.954 2.909 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
137 1 37 GLU H 1 37 GLU QB 3.000 . 3.500 2.362 2.110 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
138 1 37 GLU H 1 37 GLU QG 4.000 . 5.000 3.302 1.801 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
139 1 38 THR H 1 38 THR HA 3.000 . 3.500 2.972 2.947 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
140 1 38 THR H 1 38 THR HB 4.000 . 5.000 3.950 3.895 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
141 1 38 THR H 1 38 THR MG 4.000 . 5.000 2.548 2.412 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
142 1 38 THR HA 1 38 THR HB 2.500 . 2.800 2.337 2.300 2.375 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
143 1 39 ALA H 1 39 ALA HA 3.000 . 3.500 2.906 2.871 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
144 1 39 ALA H 1 39 ALA MB 3.000 . 3.500 2.106 2.045 2.276 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
145 1 40 GLU H 1 40 GLU HA 3.000 . 3.500 2.898 2.852 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
146 1 40 GLU H 1 40 GLU HB3 3.000 . 3.500 2.663 2.445 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
147 1 40 GLU H 1 40 GLU HB2 2.500 . 2.800 2.485 2.237 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
148 1 40 GLU H 1 40 GLU QG 4.000 . 5.000 3.979 3.862 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
149 1 40 GLU HA 1 40 GLU HB3 3.000 . 3.500 3.023 2.977 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
150 1 40 GLU HA 1 40 GLU HB2 3.000 . 3.500 2.548 2.434 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
151 1 40 GLU HA 1 40 GLU QG 3.000 . 3.500 2.253 2.059 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
152 1 41 ASP H 1 41 ASP HA 3.000 . 3.500 2.895 2.740 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
153 1 41 ASP H 1 41 ASP HB3 3.000 . 3.500 3.555 3.090 3.587 0.087 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
154 1 41 ASP H 1 41 ASP HB2 4.000 . 5.000 2.921 2.829 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
155 1 41 ASP HA 1 41 ASP HB3 2.500 . 2.800 2.308 2.267 2.332 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
156 1 41 ASP HA 1 41 ASP HB2 3.000 . 3.500 2.981 2.768 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
157 1 42 ALA H 1 42 ALA HA 3.000 . 3.500 2.879 2.780 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
158 1 42 ALA H 1 42 ALA MB 3.000 . 3.500 2.114 2.042 2.232 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
159 1 43 ALA H 1 43 ALA HA 3.000 . 3.500 2.888 2.807 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
160 1 43 ALA H 1 43 ALA MB 3.000 . 3.500 2.116 2.056 2.269 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
161 1 44 LEU H 1 44 LEU HA 3.000 . 3.500 2.859 2.831 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
162 1 44 LEU H 1 44 LEU HB3 3.000 . 3.500 2.863 2.558 3.267 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
163 1 44 LEU H 1 44 LEU HB2 3.000 . 3.500 2.307 2.064 2.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
164 1 44 LEU H 1 44 LEU HG 4.000 . 5.000 4.351 3.574 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
165 1 44 LEU HA 1 44 LEU HG 3.000 . 3.500 2.932 1.968 3.613 0.113 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
166 1 44 LEU HA 1 44 LEU QD 4.000 . 5.000 2.062 1.772 2.904 0.028 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
167 1 44 LEU HB3 1 44 LEU HG 3.000 . 3.500 2.624 2.337 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
168 1 44 LEU HB3 1 44 LEU QD 3.000 . 3.500 2.193 1.904 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
169 1 44 LEU HB2 1 44 LEU HG 3.000 . 3.500 2.724 2.373 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
170 1 44 LEU HB2 1 44 LEU QD 3.000 . 3.500 2.138 1.867 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
171 1 45 ALA H 1 45 ALA HA 3.000 . 3.500 2.877 2.850 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
172 1 45 ALA H 1 45 ALA MB 3.000 . 3.500 2.164 2.048 2.261 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
173 1 46 TYR H 1 46 TYR HA 3.000 . 3.500 2.887 2.851 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
174 1 46 TYR H 1 46 TYR HB3 3.000 . 3.500 2.399 2.312 2.499 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
175 1 46 TYR H 1 46 TYR HB2 3.000 . 3.500 2.736 2.606 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
176 1 46 TYR HA 1 46 TYR HB2 2.500 . 2.800 2.419 2.381 2.450 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
177 1 46 TYR HA 1 46 TYR QD 3.000 . 3.500 3.110 2.907 3.168 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
178 1 46 TYR HA 1 46 TYR QE 5.000 . 6.000 4.754 4.649 4.815 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
179 1 46 TYR HB3 1 46 TYR QD 3.000 . 3.500 2.498 2.408 2.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
180 1 46 TYR HB3 1 46 TYR QE 4.000 . 5.000 4.468 4.446 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
181 1 46 TYR HB2 1 46 TYR QD 3.000 . 3.500 2.348 2.313 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
182 1 46 TYR HB2 1 46 TYR QE 4.000 . 5.000 4.430 4.416 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
183 1 47 ASP H 1 47 ASP HA 3.000 . 3.500 2.866 2.824 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
184 1 47 ASP H 1 47 ASP HB3 3.000 . 3.500 3.581 3.524 3.600 0.100 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
185 1 47 ASP H 1 47 ASP HB2 3.000 . 3.500 2.476 2.204 2.714 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
186 1 47 ASP HA 1 47 ASP HB3 3.000 . 3.500 2.483 2.376 2.653 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
187 1 47 ASP HA 1 47 ASP HB2 3.000 . 3.500 3.026 2.995 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
188 1 48 ARG H 1 48 ARG QB 3.000 . 3.500 2.246 2.060 2.685 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
189 1 48 ARG H 1 48 ARG QG 4.000 . 5.000 3.300 1.822 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
190 1 48 ARG H 1 48 ARG QD 5.000 . 6.000 4.011 2.341 4.761 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
191 1 48 ARG HA 1 48 ARG QD 4.000 . 5.000 3.277 1.853 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
192 1 48 ARG QB 1 48 ARG QD 3.000 . 3.500 2.095 1.877 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
193 1 49 ALA H 1 49 ALA HA 3.000 . 3.500 2.928 2.876 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
194 1 49 ALA H 1 49 ALA MB 3.000 . 3.500 2.156 2.074 2.326 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
195 1 50 ALA H 1 50 ALA HA 3.000 . 3.500 2.942 2.851 2.965 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
196 1 50 ALA H 1 50 ALA MB 3.000 . 3.500 2.210 2.050 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
197 1 51 PHE H 1 51 PHE HA 3.000 . 3.500 2.971 2.909 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
198 1 51 PHE H 1 51 PHE HB3 3.000 . 3.500 2.916 2.687 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
199 1 51 PHE H 1 51 PHE HB2 2.500 . 2.800 2.512 2.282 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
200 1 51 PHE H 1 51 PHE QD 4.000 . 5.000 4.182 3.866 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
201 1 51 PHE HA 1 51 PHE HB3 3.000 . 3.500 2.984 2.929 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
202 1 51 PHE HA 1 51 PHE HB2 3.000 . 3.500 2.686 2.570 2.783 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
203 1 51 PHE HA 1 51 PHE QD 3.000 . 3.500 2.834 1.771 3.008 0.029 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
204 1 51 PHE HA 1 51 PHE QE 4.000 . 5.000 4.380 4.064 4.487 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
205 1 51 PHE HB3 1 51 PHE QD 2.500 . 2.800 2.420 2.319 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
206 1 51 PHE HB3 1 51 PHE QE 4.000 . 5.000 4.448 4.422 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
207 1 51 PHE HB2 1 51 PHE QD 2.500 . 2.800 2.425 2.328 2.555 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
208 1 51 PHE HB2 1 51 PHE QE 4.000 . 5.000 4.450 4.424 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
209 1 52 ARG H 1 52 ARG QB 3.000 . 3.500 2.285 2.119 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
210 1 52 ARG H 1 52 ARG QG 4.000 . 5.000 3.436 2.119 4.082 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
211 1 52 ARG H 1 52 ARG QD 5.000 . 6.000 4.293 3.326 4.811 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
212 1 52 ARG HA 1 52 ARG QB 2.500 . 2.800 2.427 2.335 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
213 1 52 ARG HA 1 52 ARG QG 3.000 . 3.500 2.315 1.952 2.993 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
214 1 52 ARG HA 1 52 ARG QD 4.000 . 5.000 3.406 1.896 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
215 1 52 ARG QB 1 52 ARG QD 3.000 . 3.500 2.125 1.883 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
216 1 53 MET H 1 53 MET HA 3.000 . 3.500 2.908 2.866 2.933 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
217 1 53 MET H 1 53 MET ME 4.000 . 5.000 4.042 3.698 4.170 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
218 1 53 MET H 1 53 MET QB 3.000 . 3.500 2.209 2.062 2.291 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
219 1 53 MET H 1 53 MET QG 4.000 . 5.000 3.721 2.664 4.074 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
220 1 53 MET HA 1 53 MET ME 5.000 . 6.000 4.107 3.691 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
221 1 53 MET QB 1 53 MET ME 4.000 . 5.000 2.140 1.754 3.075 0.046 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
222 1 54 ARG H 1 54 ARG QB 3.000 . 3.500 2.336 2.117 2.668 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
223 1 54 ARG H 1 54 ARG QG 4.000 . 5.000 2.991 2.177 3.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
224 1 54 ARG H 1 54 ARG QD 5.000 . 6.000 3.977 2.431 4.601 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
225 1 54 ARG HA 1 54 ARG QD 4.000 . 5.000 3.688 2.423 4.163 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
226 1 57 ARG HA 1 57 ARG QG 2.500 . 2.800 2.184 1.897 2.530 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
227 1 58 ALA H 1 58 ALA HA 3.000 . 3.500 2.788 2.343 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
228 1 58 ALA H 1 58 ALA MB 3.000 . 3.500 2.740 2.047 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
229 1 59 LEU H 1 59 LEU HA 3.000 . 3.500 2.920 2.366 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
230 1 59 LEU H 1 59 LEU HB3 4.000 . 5.000 3.403 2.590 4.040 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
231 1 59 LEU H 1 59 LEU HB2 4.000 . 5.000 2.542 2.127 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
232 1 59 LEU H 1 59 LEU HG 4.000 . 5.000 3.648 1.956 4.828 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
233 1 59 LEU HA 1 59 LEU HB2 3.000 . 3.500 2.888 2.478 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
234 1 59 LEU HA 1 59 LEU HG 3.000 . 3.500 2.549 1.913 3.570 0.070 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
235 1 59 LEU HA 1 59 LEU QD 4.000 . 5.000 2.471 1.820 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
236 1 59 LEU HB3 1 59 LEU HG 3.000 . 3.500 2.803 2.398 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
237 1 59 LEU HB2 1 59 LEU HG 3.000 . 3.500 2.740 2.400 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
238 1 60 LEU H 1 60 LEU HG 2.500 . 2.800 1.873 1.811 2.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
239 1 60 LEU H 1 60 LEU MD1 5.000 . 6.000 3.630 3.554 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
240 1 60 LEU H 1 60 LEU MD2 4.000 . 5.000 2.681 2.306 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
241 1 60 LEU H 1 60 LEU QB 3.000 . 3.500 3.132 2.950 3.204 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
242 1 60 LEU HA 1 60 LEU HG 3.000 . 3.500 3.524 3.442 3.577 0.077 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
243 1 60 LEU QB 1 60 LEU MD1 3.000 . 3.500 2.037 1.961 2.105 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
244 1 61 ASN H 1 61 ASN HB3 4.000 . 5.000 3.561 3.512 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
245 1 61 ASN H 1 61 ASN HB2 4.000 . 5.000 3.054 2.950 3.194 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
246 1 61 ASN H 1 61 ASN QD 4.000 . 5.000 2.821 2.641 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
247 1 61 ASN HA 1 61 ASN HB3 2.500 . 2.800 2.294 2.277 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
248 1 61 ASN HA 1 61 ASN HB2 3.000 . 3.500 2.967 2.943 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
249 1 61 ASN HB3 1 61 ASN QD 3.000 . 3.500 3.160 3.109 3.208 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
250 1 61 ASN HB2 1 61 ASN QD 3.000 . 3.500 2.205 2.189 2.221 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
251 1 62 PHE H 1 62 PHE HB3 4.000 . 5.000 3.821 3.760 3.894 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
252 1 62 PHE H 1 62 PHE HB2 4.000 . 5.000 2.794 2.678 3.014 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
253 1 62 PHE H 1 62 PHE QD 4.000 . 5.000 3.323 3.227 3.364 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
254 1 62 PHE HA 1 62 PHE HB3 3.000 . 3.500 2.381 2.325 2.412 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
255 1 62 PHE HA 1 62 PHE HB2 3.000 . 3.500 3.024 2.997 3.034 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
256 1 62 PHE HA 1 62 PHE QD 3.000 . 3.500 2.099 1.968 2.432 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
257 1 62 PHE HB3 1 62 PHE QD 3.000 . 3.500 2.769 2.709 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
258 1 62 PHE HB3 1 62 PHE QE 4.000 . 5.000 4.528 4.515 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
259 1 62 PHE HB2 1 62 PHE QD 3.000 . 3.500 2.368 2.303 2.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
260 1 62 PHE HB2 1 62 PHE QE 4.000 . 5.000 4.434 4.414 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
261 1 64 LEU H 1 64 LEU HA 3.000 . 3.500 2.757 2.342 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
262 1 64 LEU H 1 64 LEU HG 4.000 . 5.000 3.833 1.957 4.720 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
263 1 64 LEU H 1 64 LEU QB 3.000 . 3.500 2.653 2.060 3.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
264 1 64 LEU HA 1 64 LEU HG 4.000 . 5.000 2.477 1.919 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
265 1 64 LEU HA 1 64 LEU QD 4.000 . 5.000 2.435 1.733 3.418 0.067 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
266 1 65 ARG H 1 65 ARG QG 4.000 . 5.000 3.244 1.902 4.379 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
267 1 65 ARG H 1 65 ARG QD 5.000 . 6.000 4.323 2.474 5.347 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
268 1 65 ARG HA 1 65 ARG QD 4.000 . 5.000 3.508 1.895 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
269 1 65 ARG QB 1 65 ARG QD 3.000 . 3.500 2.127 1.882 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
270 1 66 VAL H 1 66 VAL HA 3.000 . 3.500 2.802 2.336 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
271 1 66 VAL H 1 66 VAL HB 4.000 . 5.000 3.158 2.404 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
272 1 66 VAL HA 1 66 VAL HB 3.000 . 3.500 2.746 2.392 3.034 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
273 1 4 LYS HA 1 5 HIS H 3.000 . 3.500 3.067 2.192 3.570 0.070 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
274 1 5 HIS HA 1 6 TYR H 2.500 . 2.800 2.376 2.186 2.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
275 1 5 HIS HA 1 6 TYR QD 5.000 . 6.000 4.648 4.216 5.253 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
276 1 5 HIS QB 1 6 TYR H 4.000 . 5.000 3.089 1.917 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
277 1 6 TYR H 1 7 ARG H 5.000 . 6.000 4.585 4.406 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
278 1 6 TYR HA 1 7 ARG H 2.500 . 2.800 2.310 2.194 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
279 1 6 TYR HB3 1 7 ARG H 3.000 . 3.500 2.882 2.353 3.436 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
280 1 6 TYR HB2 1 7 ARG H 4.000 . 5.000 3.968 3.618 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
281 1 6 TYR QD 1 7 ARG H 5.000 . 6.000 3.609 3.242 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
282 1 7 ARG H 1 8 GLY H 5.000 . 6.000 4.047 2.973 4.594 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
283 1 7 ARG HA 1 8 GLY H 2.500 . 2.800 2.369 2.184 2.909 0.109 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
284 1 7 ARG QB 1 8 GLY H 4.000 . 5.000 3.764 3.285 4.058 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
285 1 7 ARG QG 1 8 GLY H 5.000 . 6.000 4.351 3.477 4.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
286 1 7 ARG QD 1 8 GLY H 5.000 . 6.000 4.966 3.458 5.404 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
287 1 8 GLY H 1 9 VAL H 3.000 . 3.500 2.140 1.779 3.061 0.021 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
288 1 8 GLY QA 1 9 VAL H 4.000 . 5.000 2.879 2.787 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
289 1 9 VAL H 1 10 ARG H 5.000 . 6.000 4.340 3.967 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
290 1 9 VAL HA 1 10 ARG H 2.500 . 2.800 2.195 2.160 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
291 1 9 VAL HB 1 10 ARG H 4.000 . 5.000 4.279 3.951 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
292 1 9 VAL MG1 1 10 ARG H 3.000 . 3.500 2.796 2.178 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
293 1 9 VAL MG2 1 10 ARG H 4.000 . 5.000 4.131 3.870 4.225 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
294 1 10 ARG HA 1 11 GLN H 3.000 . 3.500 2.259 2.186 2.569 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
295 1 10 ARG HB3 1 11 GLN H 4.000 . 5.000 3.750 2.334 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
296 1 10 ARG HB2 1 11 GLN H 4.000 . 5.000 4.375 3.141 4.687 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
297 1 11 GLN HA 1 12 ARG H 2.500 . 2.800 2.287 2.150 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
298 1 11 GLN QB 1 12 ARG H 3.000 . 3.500 2.914 2.484 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
299 1 11 GLN QG 1 12 ARG H 4.000 . 5.000 3.800 1.756 4.460 0.044 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
300 1 12 ARG HA 1 13 PRO QB 5.000 . 6.000 4.619 4.546 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
301 1 12 ARG HA 1 13 PRO QD 2.500 . 2.800 2.050 1.879 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
302 1 12 ARG QB 1 13 PRO QD 4.000 . 5.000 1.913 1.643 3.021 0.157 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
303 1 12 ARG QG 1 13 PRO QD 4.000 . 5.000 2.726 1.729 3.719 0.071 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
304 1 15 GLY H 1 16 LYS H 4.000 . 5.000 2.497 1.841 4.043 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
305 1 15 GLY QA 1 16 LYS H 4.000 . 5.000 2.588 2.131 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
306 1 16 LYS H 1 17 PHE H 5.000 . 6.000 4.426 4.162 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
307 1 16 LYS HA 1 17 PHE H 4.000 . 5.000 2.521 2.215 2.743 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
308 1 16 LYS QB 1 17 PHE H 4.000 . 5.000 2.369 1.841 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
309 1 16 LYS QG 1 17 PHE H 4.000 . 5.000 3.704 2.154 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
310 1 17 PHE H 1 18 ALA H 5.000 . 6.000 4.365 3.818 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
311 1 17 PHE HA 1 18 ALA H 2.500 . 2.800 2.569 2.196 2.829 0.029 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
312 1 17 PHE HB3 1 18 ALA H 4.000 . 5.000 2.342 1.839 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
313 1 17 PHE HB2 1 18 ALA H 4.000 . 5.000 3.557 3.097 4.498 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
314 1 17 PHE QD 1 18 ALA H 4.000 . 5.000 3.732 3.289 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
315 1 18 ALA H 1 19 ALA H 5.000 . 6.000 4.045 3.808 4.609 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
316 1 18 ALA HA 1 19 ALA H 2.500 . 2.800 2.194 2.153 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
317 1 18 ALA HA 1 19 ALA HA 5.000 . 6.000 4.472 4.437 4.493 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
318 1 18 ALA MB 1 19 ALA H 4.000 . 5.000 3.336 2.644 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
319 1 19 ALA H 1 20 GLU H 5.000 . 6.000 4.435 4.172 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
320 1 19 ALA HA 1 20 GLU H 2.500 . 2.800 2.204 2.180 2.234 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
321 1 19 ALA HA 1 20 GLU HA 5.000 . 6.000 4.462 4.450 4.494 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
322 1 19 ALA MB 1 20 GLU H 4.000 . 5.000 3.326 3.074 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
323 1 20 GLU H 1 21 ILE H 4.000 . 5.000 4.433 4.246 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
324 1 20 GLU HA 1 21 ILE H 2.500 . 2.800 2.372 2.218 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
325 1 20 GLU QB 1 21 ILE H 4.000 . 5.000 2.883 2.033 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
326 1 21 ILE H 1 22 ARG H 4.000 . 5.000 4.322 4.097 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
327 1 21 ILE HA 1 22 ARG H 2.500 . 2.800 2.258 2.188 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
328 1 21 ILE HB 1 22 ARG H 4.000 . 5.000 4.135 3.766 4.361 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
329 1 21 ILE HG13 1 22 ARG H 3.000 . 3.500 2.864 1.951 3.361 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
330 1 21 ILE HG12 1 22 ARG H 3.000 . 3.500 2.678 1.953 3.364 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
331 1 21 ILE MG 1 22 ARG H 5.000 . 6.000 3.857 3.243 4.148 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
332 1 21 ILE MD 1 22 ARG H 5.000 . 6.000 4.158 3.507 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
333 1 22 ARG HA 1 23 ASP H 2.500 . 2.800 2.221 2.178 2.340 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
334 1 22 ARG HA 1 23 ASP HB2 4.000 . 5.000 4.445 4.164 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
335 1 22 ARG QB 1 23 ASP H 5.000 . 6.000 3.558 2.769 4.004 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
336 1 23 ASP H 1 24 PRO QD 4.000 . 5.000 3.713 3.263 4.082 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
337 1 23 ASP HA 1 24 PRO QG 4.000 . 5.000 3.830 3.802 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
338 1 23 ASP HA 1 24 PRO QD 2.500 . 2.800 1.892 1.865 1.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
339 1 24 PRO HA 1 25 ALA H 3.000 . 3.500 3.510 3.483 3.543 0.043 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
340 1 24 PRO HB3 1 25 ALA H 4.000 . 5.000 4.233 4.125 4.293 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
341 1 24 PRO HB2 1 25 ALA H 3.000 . 3.500 3.441 3.253 3.538 0.038 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
342 1 24 PRO QG 1 25 ALA H 3.000 . 3.500 2.772 2.554 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
343 1 24 PRO QD 1 25 ALA H 3.000 . 3.500 2.303 2.250 2.351 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
344 1 25 ALA H 1 26 LYS H 2.500 . 2.800 2.609 2.483 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
345 1 25 ALA H 1 26 LYS HA 5.000 . 6.000 5.268 5.155 5.358 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
346 1 25 ALA H 1 26 LYS HB2 4.000 . 5.000 4.846 4.497 5.015 0.015 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
347 1 25 ALA H 1 26 LYS QG 4.000 . 5.000 4.172 3.568 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
348 1 25 ALA HA 1 26 LYS H 4.000 . 5.000 3.444 3.336 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
349 1 25 ALA MB 1 26 LYS H 4.000 . 5.000 2.971 2.590 3.264 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
350 1 26 LYS H 1 27 ASN H 4.000 . 5.000 3.003 2.487 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
351 1 26 LYS HA 1 27 ASN H 3.000 . 3.500 2.888 2.562 3.568 0.068 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
352 1 27 ASN HA 1 28 GLY H 3.000 . 3.500 2.810 2.469 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
353 1 27 ASN QB 1 28 GLY H 5.000 . 6.000 3.876 3.670 4.070 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
354 1 28 GLY H 1 29 ALA H 4.000 . 5.000 3.226 2.431 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
355 1 28 GLY QA 1 29 ALA H 4.000 . 5.000 2.441 2.159 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
356 1 29 ALA H 1 30 ARG H 5.000 . 6.000 4.089 3.054 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
357 1 29 ALA HA 1 30 ARG H 2.500 . 2.800 2.276 2.187 2.750 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
358 1 29 ALA MB 1 30 ARG H 4.000 . 5.000 3.262 2.049 3.681 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
359 1 30 ARG H 1 31 VAL H 5.000 . 6.000 4.650 4.258 4.712 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
360 1 30 ARG H 1 31 VAL MG2 5.000 . 6.000 4.772 4.240 5.009 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
361 1 30 ARG HA 1 31 VAL H 2.500 . 2.800 2.342 2.186 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
362 1 30 ARG HA 1 31 VAL MG2 5.000 . 6.000 3.758 3.531 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
363 1 30 ARG QB 1 31 VAL H 4.000 . 5.000 2.765 2.124 3.747 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
364 1 30 ARG QG 1 31 VAL H 5.000 . 6.000 3.789 3.060 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
365 1 31 VAL H 1 32 TRP H 5.000 . 6.000 3.846 3.508 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
366 1 31 VAL HA 1 32 TRP H 2.500 . 2.800 2.287 2.191 2.373 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
367 1 31 VAL HA 1 32 TRP HB3 4.000 . 5.000 4.744 4.641 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
368 1 31 VAL HA 1 32 TRP HB2 4.000 . 5.000 4.829 4.561 4.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
369 1 31 VAL HB 1 32 TRP H 4.000 . 5.000 4.529 4.228 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
370 1 31 VAL MG1 1 32 TRP H 4.000 . 5.000 3.327 2.324 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
371 1 31 VAL MG2 1 32 TRP H 4.000 . 5.000 4.151 3.929 4.196 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
372 1 32 TRP HA 1 33 LEU H 2.500 . 2.800 2.259 2.176 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
373 1 32 TRP HB3 1 33 LEU H 4.000 . 5.000 4.440 4.310 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
374 1 32 TRP HB2 1 33 LEU H 4.000 . 5.000 4.566 4.433 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
375 1 32 TRP HD1 1 33 LEU H 5.000 . 6.000 3.800 3.182 4.164 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
376 1 32 TRP HE3 1 33 LEU H 5.000 . 6.000 5.941 5.787 6.041 0.041 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
377 1 33 LEU H 1 34 GLY H 3.000 . 3.500 2.837 2.665 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
378 1 33 LEU HA 1 34 GLY H 4.000 . 5.000 3.570 3.532 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
379 1 33 LEU HB3 1 34 GLY H 4.000 . 5.000 3.419 2.748 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
380 1 33 LEU HB2 1 34 GLY H 4.000 . 5.000 2.552 2.191 2.960 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
381 1 33 LEU HG 1 34 GLY H 4.000 . 5.000 4.443 3.797 4.853 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
382 1 33 LEU MD1 1 34 GLY H 5.000 . 6.000 4.144 3.743 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
383 1 33 LEU MD2 1 34 GLY H 5.000 . 6.000 4.689 4.381 4.876 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
384 1 34 GLY H 1 35 THR H 4.000 . 5.000 4.268 4.168 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
385 1 34 GLY QA 1 35 THR H 2.500 . 2.800 2.267 2.233 2.334 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
386 1 35 THR H 1 36 PHE H 5.000 . 6.000 4.648 4.578 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
387 1 35 THR HA 1 36 PHE H 2.500 . 2.800 2.405 2.242 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
388 1 35 THR HA 1 36 PHE QD 3.000 . 3.500 3.053 2.934 3.141 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
389 1 35 THR HA 1 36 PHE QE 5.000 . 6.000 4.479 4.295 4.676 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
390 1 35 THR HB 1 36 PHE H 4.000 . 5.000 2.790 2.312 3.103 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
391 1 35 THR MG 1 36 PHE H 4.000 . 5.000 4.096 3.860 4.218 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
392 1 37 GLU H 1 38 THR H 3.000 . 3.500 2.270 1.990 2.498 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
393 1 37 GLU H 1 38 THR MG 4.000 . 5.000 3.781 3.524 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
394 1 37 GLU HA 1 38 THR H 4.000 . 5.000 3.503 3.446 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
395 1 37 GLU QB 1 38 THR H 4.000 . 5.000 2.945 2.745 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
396 1 37 GLU QB 1 38 THR MG 5.000 . 6.000 2.262 1.948 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
397 1 38 THR HA 1 39 ALA H 2.500 . 2.800 2.546 2.410 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
398 1 38 THR HB 1 39 ALA H 2.500 . 2.800 2.495 2.289 2.796 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
399 1 38 THR MG 1 39 ALA H 4.000 . 5.000 3.955 3.832 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
400 1 39 ALA H 1 40 GLU HB3 4.000 . 5.000 4.925 4.637 5.044 0.044 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
401 1 39 ALA H 1 40 GLU HB2 4.000 . 5.000 4.664 4.167 4.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
402 1 39 ALA HA 1 40 GLU H 3.000 . 3.500 3.482 3.454 3.518 0.018 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
403 1 39 ALA MB 1 40 GLU H 3.000 . 3.500 2.914 2.658 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
404 1 40 GLU H 1 41 ASP H 3.000 . 3.500 2.570 2.467 2.966 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
405 1 40 GLU HA 1 41 ASP H 3.000 . 3.500 3.539 3.515 3.565 0.065 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
406 1 40 GLU HB3 1 41 ASP H 4.000 . 5.000 2.650 1.897 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
407 1 40 GLU HB2 1 41 ASP H 4.000 . 5.000 3.807 3.437 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
408 1 41 ASP H 1 42 ALA H 3.000 . 3.500 2.591 2.413 3.219 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
409 1 41 ASP HA 1 42 ALA H 4.000 . 5.000 3.563 3.530 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
410 1 41 ASP HB3 1 42 ALA H 4.000 . 5.000 3.926 3.393 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
411 1 41 ASP HB2 1 42 ALA H 3.000 . 3.500 2.587 1.892 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
412 1 42 ALA H 1 43 ALA H 3.000 . 3.500 2.587 2.418 2.873 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
413 1 42 ALA HA 1 43 ALA H 3.000 . 3.500 3.517 3.453 3.562 0.062 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
414 1 42 ALA MB 1 43 ALA H 4.000 . 5.000 2.732 2.358 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
415 1 43 ALA H 1 44 LEU H 3.000 . 3.500 2.571 2.408 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
416 1 43 ALA HA 1 44 LEU H 4.000 . 5.000 3.549 3.523 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
417 1 43 ALA MB 1 44 LEU H 4.000 . 5.000 2.627 2.289 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
418 1 44 LEU H 1 45 ALA H 3.000 . 3.500 2.682 2.570 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
419 1 44 LEU HA 1 45 ALA H 3.000 . 3.500 3.550 3.513 3.566 0.066 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
420 1 44 LEU HB3 1 45 ALA H 3.000 . 3.500 2.577 2.313 3.120 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
421 1 44 LEU HB2 1 45 ALA H 4.000 . 5.000 3.558 3.069 3.834 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
422 1 45 ALA H 1 46 TYR H 3.000 . 3.500 2.545 2.366 2.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
423 1 45 ALA HA 1 46 TYR H 4.000 . 5.000 3.484 3.433 3.546 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
424 1 45 ALA MB 1 46 TYR H 4.000 . 5.000 2.833 2.586 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
425 1 46 TYR H 1 47 ASP H 3.000 . 3.500 2.544 2.416 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
426 1 46 TYR HA 1 47 ASP H 4.000 . 5.000 3.521 3.491 3.563 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
427 1 46 TYR HB3 1 47 ASP H 3.000 . 3.500 2.793 2.583 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
428 1 46 TYR HB2 1 47 ASP H 4.000 . 5.000 4.053 3.924 4.150 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
429 1 46 TYR QD 1 47 ASP H 3.000 . 3.500 3.100 2.778 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
430 1 46 TYR QD 1 47 ASP HA 4.000 . 5.000 2.649 2.478 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
431 1 46 TYR QE 1 47 ASP H 5.000 . 6.000 5.325 5.050 5.371 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
432 1 46 TYR QE 1 47 ASP HA 4.000 . 5.000 3.860 3.601 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
433 1 47 ASP H 1 48 ARG H 3.000 . 3.500 2.673 2.524 2.842 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
434 1 47 ASP HA 1 48 ARG H 3.000 . 3.500 3.554 3.528 3.572 0.072 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
435 1 47 ASP HB3 1 48 ARG H 3.000 . 3.500 3.503 3.285 3.563 0.063 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
436 1 47 ASP HB2 1 48 ARG H 3.000 . 3.500 2.436 2.188 2.868 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
437 1 48 ARG H 1 49 ALA H 3.000 . 3.500 2.748 2.526 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
438 1 48 ARG HA 1 49 ALA H 3.000 . 3.500 3.541 3.491 3.577 0.077 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
439 1 48 ARG QB 1 49 ALA H 3.000 . 3.500 2.683 2.435 3.006 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
440 1 49 ALA H 1 50 ALA H 3.000 . 3.500 2.415 2.244 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
441 1 49 ALA HA 1 50 ALA H 4.000 . 5.000 3.482 3.422 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
442 1 49 ALA MB 1 50 ALA H 4.000 . 5.000 2.880 2.333 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
443 1 49 ALA MB 1 50 ALA HA 5.000 . 6.000 3.868 3.658 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
444 1 50 ALA H 1 51 PHE H 3.000 . 3.500 2.396 2.237 2.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
445 1 50 ALA H 1 51 PHE HB3 5.000 . 6.000 5.069 4.856 5.385 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
446 1 50 ALA H 1 51 PHE HB2 5.000 . 6.000 4.270 3.989 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
447 1 50 ALA HA 1 51 PHE H 4.000 . 5.000 3.364 3.213 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
448 1 50 ALA MB 1 51 PHE H 4.000 . 5.000 3.154 2.818 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
449 1 51 PHE H 1 52 ARG H 3.000 . 3.500 2.125 1.874 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
450 1 51 PHE HA 1 52 ARG H 3.000 . 3.500 3.509 3.452 3.552 0.052 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
451 1 51 PHE HB3 1 52 ARG H 3.000 . 3.500 2.865 2.558 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
452 1 51 PHE HB2 1 52 ARG H 4.000 . 5.000 3.648 3.366 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
453 1 51 PHE QD 1 52 ARG HA 5.000 . 6.000 4.033 3.504 4.807 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
454 1 52 ARG H 1 53 MET H 3.000 . 3.500 2.449 2.281 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
455 1 52 ARG HA 1 53 MET H 3.000 . 3.500 3.534 3.514 3.561 0.061 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
456 1 52 ARG QB 1 53 MET H 2.500 . 2.800 2.525 2.497 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
457 1 53 MET H 1 54 ARG H 3.000 . 3.500 2.504 2.373 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
458 1 53 MET HA 1 54 ARG H 3.000 . 3.500 3.533 3.505 3.569 0.069 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
459 1 53 MET QB 1 54 ARG H 3.000 . 3.500 2.686 2.189 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
460 1 53 MET QG 1 54 ARG H 5.000 . 6.000 4.165 3.316 4.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
461 1 54 ARG H 1 55 GLY H 2.500 . 2.800 2.402 2.090 2.853 0.053 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
462 1 54 ARG HA 1 55 GLY H 3.000 . 3.500 3.294 2.864 3.563 0.063 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
463 1 54 ARG QB 1 55 GLY H 4.000 . 5.000 3.242 2.245 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
464 1 54 ARG QG 1 55 GLY H 5.000 . 6.000 4.405 3.917 4.822 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
465 1 57 ARG HA 1 58 ALA H 3.000 . 3.500 2.588 2.176 3.571 0.071 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
466 1 57 ARG QB 1 58 ALA H 5.000 . 6.000 3.050 1.788 3.972 0.012 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
467 1 57 ARG QG 1 58 ALA H 4.000 . 5.000 3.406 1.964 4.515 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
468 1 58 ALA H 1 59 LEU H 5.000 . 6.000 4.195 2.047 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
469 1 58 ALA HA 1 59 LEU H 2.500 . 2.800 2.446 2.198 2.905 0.105 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
470 1 58 ALA MB 1 59 LEU H 4.000 . 5.000 2.718 2.220 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
471 1 59 LEU HA 1 60 LEU H 2.500 . 2.800 2.206 2.179 2.293 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
472 1 60 LEU H 1 61 ASN H 5.000 . 6.000 4.470 4.390 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
473 1 60 LEU HA 1 61 ASN H 3.000 . 3.500 2.500 2.255 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
474 1 60 LEU HG 1 61 ASN H 4.000 . 5.000 4.677 4.214 5.024 0.024 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
475 1 60 LEU MD1 1 61 ASN H 5.000 . 6.000 4.373 3.776 4.935 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
476 1 60 LEU MD2 1 61 ASN H 5.000 . 6.000 4.477 4.201 4.683 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
477 1 61 ASN H 1 62 PHE H 4.000 . 5.000 2.521 2.296 2.774 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
478 1 61 ASN HA 1 62 PHE H 4.000 . 5.000 3.510 3.485 3.539 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
479 1 61 ASN HA 1 62 PHE QD 5.000 . 6.000 4.221 4.099 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
480 1 61 ASN HB3 1 62 PHE H 4.000 . 5.000 4.113 4.035 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
481 1 61 ASN HB2 1 62 PHE H 3.000 . 3.500 2.851 2.728 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
482 1 61 ASN HB2 1 62 PHE QD 3.000 . 3.500 3.134 2.940 3.173 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
483 1 61 ASN HB2 1 62 PHE QE 4.000 . 5.000 3.055 2.759 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
484 1 62 PHE H 1 63 PRO HD3 4.000 . 5.000 3.274 2.809 3.796 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
485 1 62 PHE H 1 63 PRO HD2 5.000 . 6.000 4.326 3.972 4.635 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
486 1 62 PHE HA 1 63 PRO HD3 2.500 . 2.800 2.488 2.284 2.758 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
487 1 62 PHE HA 1 63 PRO HD2 2.500 . 2.800 2.110 2.011 2.242 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
488 1 62 PHE HA 1 63 PRO QG 4.000 . 5.000 3.949 3.830 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
489 1 62 PHE QD 1 63 PRO HD3 4.000 . 5.000 3.877 3.654 4.220 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
490 1 62 PHE QD 1 63 PRO HD2 4.000 . 5.000 3.786 3.596 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
491 1 63 PRO HA 1 64 LEU H 2.500 . 2.800 2.429 2.212 2.813 0.013 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
492 1 63 PRO HB3 1 64 LEU H 4.000 . 5.000 4.031 3.242 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
493 1 63 PRO HB2 1 64 LEU H 4.000 . 5.000 3.465 2.098 4.361 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
494 1 63 PRO HD3 1 64 LEU H 5.000 . 6.000 5.472 4.652 5.768 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
495 1 63 PRO HD2 1 64 LEU H 5.000 . 6.000 5.139 3.968 5.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
496 1 64 LEU H 1 65 ARG H 4.000 . 5.000 3.830 2.002 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
497 1 64 LEU HA 1 65 ARG H 3.000 . 3.500 2.711 2.191 3.573 0.073 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
498 1 65 ARG H 1 66 VAL H 4.000 . 5.000 3.755 1.925 4.701 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
499 1 65 ARG HA 1 66 VAL H 3.000 . 3.500 2.686 2.184 3.570 0.070 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
500 1 7 ARG HA 1 9 VAL H 4.000 . 5.000 3.913 3.454 4.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
501 1 9 VAL MG1 1 11 GLN HA 5.000 . 6.000 3.891 3.426 4.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
502 1 15 GLY QA 1 17 PHE QE 5.000 . 6.000 4.005 2.652 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
503 1 22 ARG QG 1 24 PRO HB3 4.000 . 5.000 4.124 3.505 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
504 1 23 ASP HA 1 25 ALA H 4.000 . 5.000 3.477 3.316 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
505 1 23 ASP HB3 1 25 ALA H 5.000 . 6.000 4.554 4.126 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
506 1 24 PRO HA 1 26 LYS H 4.000 . 5.000 3.727 3.414 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
507 1 25 ALA H 1 27 ASN H 5.000 . 6.000 4.731 4.146 5.342 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
508 1 26 LYS H 1 28 GLY H 4.000 . 5.000 3.463 2.770 4.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
509 1 29 ALA MB 1 31 VAL MG2 5.000 . 6.000 3.468 3.103 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
510 1 32 TRP HA 1 34 GLY H 4.000 . 5.000 3.843 3.488 4.259 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
511 1 32 TRP HD1 1 34 GLY H 4.000 . 5.000 2.580 2.290 3.101 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
512 1 32 TRP HD1 1 34 GLY QA 5.000 . 6.000 2.124 1.905 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
513 1 32 TRP HE1 1 34 GLY H 5.000 . 6.000 3.087 2.834 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
514 1 32 TRP HE1 1 34 GLY QA 5.000 . 6.000 1.836 1.819 1.867 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
515 1 32 TRP HZ2 1 34 GLY QA 4.000 . 5.000 4.496 4.454 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
516 1 34 GLY H 1 36 PHE QE 5.000 . 6.000 3.317 2.884 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
517 1 34 GLY QA 1 36 PHE QE 5.000 . 6.000 3.725 3.416 3.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
518 1 36 PHE HB3 1 38 THR H 3.000 . 3.500 2.618 2.439 2.838 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
519 1 36 PHE HB2 1 38 THR H 3.000 . 3.500 3.466 3.143 3.567 0.067 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
520 1 38 THR HB 1 40 GLU H 3.000 . 3.500 3.144 2.931 3.373 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
521 1 39 ALA H 1 41 ASP H 4.000 . 5.000 4.236 4.001 4.832 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
522 1 40 GLU H 1 42 ALA H 5.000 . 6.000 4.121 3.898 4.900 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
523 1 41 ASP H 1 43 ALA H 5.000 . 6.000 3.899 3.605 4.333 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
524 1 42 ALA H 1 44 LEU H 5.000 . 6.000 4.134 3.867 4.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
525 1 42 ALA HA 1 44 LEU H 5.000 . 6.000 4.421 4.102 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
526 1 43 ALA H 1 45 ALA H 4.000 . 5.000 4.104 3.790 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
527 1 44 LEU H 1 46 TYR H 4.000 . 5.000 3.842 3.681 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
528 1 44 LEU HA 1 46 TYR H 4.000 . 5.000 4.035 3.797 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
529 1 45 ALA H 1 47 ASP H 4.000 . 5.000 4.152 3.985 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
530 1 46 TYR H 1 48 ARG H 4.000 . 5.000 4.294 4.077 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
531 1 46 TYR HA 1 48 ARG H 4.000 . 5.000 4.569 4.183 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
532 1 47 ASP H 1 49 ALA H 4.000 . 5.000 4.069 3.796 4.421 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
533 1 47 ASP HA 1 49 ALA H 4.000 . 5.000 4.315 3.964 4.845 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
534 1 48 ARG H 1 50 ALA H 4.000 . 5.000 3.997 3.743 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
535 1 48 ARG HA 1 50 ALA H 4.000 . 5.000 4.274 3.954 4.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
536 1 49 ALA H 1 51 PHE H 5.000 . 6.000 3.852 3.568 4.124 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
537 1 50 ALA H 1 52 ARG H 5.000 . 6.000 4.028 3.804 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
538 1 50 ALA HA 1 52 ARG H 5.000 . 6.000 4.408 3.997 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
539 1 50 ALA MB 1 52 ARG H 5.000 . 6.000 4.754 4.402 4.998 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
540 1 51 PHE H 1 53 MET H 5.000 . 6.000 3.658 3.123 4.365 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
541 1 52 ARG H 1 54 ARG H 5.000 . 6.000 3.812 3.569 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
542 1 53 MET QB 1 55 GLY H 4.000 . 5.000 4.485 4.438 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
543 1 58 ALA MB 1 60 LEU MD1 5.000 . 6.000 3.883 3.458 4.178 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
544 1 58 ALA MB 1 60 LEU MD2 4.000 . 5.000 2.053 1.744 2.348 0.056 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
545 1 60 LEU HA 1 62 PHE H 4.000 . 5.000 4.259 3.892 4.581 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
546 1 60 LEU HG 1 62 PHE H 4.000 . 5.000 4.460 4.006 4.837 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
547 1 60 LEU MD1 1 62 PHE H 5.000 . 6.000 3.508 2.894 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
548 1 60 LEU MD2 1 62 PHE H 5.000 . 6.000 5.008 4.907 5.054 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
549 1 6 TYR H 1 9 VAL HB 4.000 . 5.000 3.097 2.598 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
550 1 6 TYR H 1 9 VAL MG1 5.000 . 6.000 4.130 3.603 4.786 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
551 1 6 TYR H 1 9 VAL MG2 4.000 . 5.000 4.085 3.761 4.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
552 1 6 TYR HB3 1 9 VAL H 4.000 . 5.000 3.740 2.906 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
553 1 6 TYR HB3 1 9 VAL MG2 4.000 . 5.000 2.412 1.942 3.359 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
554 1 6 TYR HB2 1 9 VAL H 4.000 . 5.000 3.123 2.730 3.783 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
555 1 6 TYR HB2 1 9 VAL MG1 5.000 . 6.000 3.356 3.125 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
556 1 6 TYR HB2 1 9 VAL MG2 4.000 . 5.000 2.046 1.838 2.423 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
557 1 6 TYR QD 1 9 VAL HB 3.000 . 3.500 2.969 2.578 3.156 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
558 1 6 TYR QD 1 9 VAL MG1 4.000 . 5.000 2.804 2.579 3.236 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
559 1 6 TYR QD 1 9 VAL MG2 4.000 . 5.000 2.360 1.871 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
560 1 6 TYR QE 1 9 VAL MG1 5.000 . 6.000 4.317 4.101 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
561 1 6 TYR QE 1 9 VAL MG2 5.000 . 6.000 4.185 3.837 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
562 1 23 ASP HB3 1 26 LYS H 4.000 . 5.000 3.578 3.079 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
563 1 23 ASP HB3 1 26 LYS HB2 3.000 . 3.500 2.813 2.132 3.500 0.000 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
564 1 23 ASP HB3 1 26 LYS QG 4.000 . 5.000 3.064 2.226 4.098 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
565 1 23 ASP HB2 1 26 LYS H 5.000 . 6.000 4.855 4.510 5.260 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
566 1 26 LYS HB2 1 29 ALA H 5.000 . 6.000 3.460 2.265 5.843 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
567 1 26 LYS HB2 1 29 ALA MB 3.000 . 3.500 2.363 1.865 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
568 1 32 TRP HE1 1 35 THR H 5.000 . 6.000 2.338 2.048 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
569 1 32 TRP HE1 1 35 THR HA 5.000 . 6.000 3.453 3.316 3.717 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
570 1 32 TRP HE1 1 35 THR HB 5.000 . 6.000 4.631 4.485 4.814 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
571 1 32 TRP HE1 1 35 THR MG 5.000 . 6.000 2.222 1.979 2.524 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
572 1 32 TRP HZ2 1 35 THR H 4.000 . 5.000 3.913 3.697 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
573 1 32 TRP HZ2 1 35 THR HB 3.000 . 3.500 3.523 3.389 3.559 0.059 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
574 1 32 TRP HZ2 1 35 THR MG 5.000 . 6.000 1.962 1.792 2.597 0.008 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
575 1 33 LEU HA 1 36 PHE QE 5.000 . 6.000 5.321 5.078 5.383 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
576 1 38 THR H 1 41 ASP HB3 4.000 . 5.000 4.310 4.057 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
577 1 38 THR H 1 41 ASP HB2 3.000 . 3.500 2.939 2.724 3.617 0.117 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
578 1 38 THR HB 1 41 ASP H 4.000 . 5.000 4.204 3.946 4.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
579 1 40 GLU HA 1 43 ALA H 4.000 . 5.000 3.604 3.445 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
580 1 40 GLU HA 1 43 ALA MB 3.000 . 3.500 2.614 2.287 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
581 1 41 ASP HA 1 44 LEU H 3.000 . 3.500 3.476 3.330 3.537 0.037 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
582 1 41 ASP HA 1 44 LEU HB3 3.000 . 3.500 3.248 2.792 3.555 0.055 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
583 1 41 ASP HA 1 44 LEU HB2 3.000 . 3.500 3.183 2.584 3.550 0.050 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
584 1 42 ALA HA 1 45 ALA H 3.000 . 3.500 3.497 3.353 3.540 0.040 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
585 1 42 ALA HA 1 45 ALA MB 4.000 . 5.000 2.776 2.470 3.006 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
586 1 43 ALA HA 1 46 TYR H 3.000 . 3.500 3.289 3.162 3.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
587 1 43 ALA HA 1 46 TYR HB3 4.000 . 5.000 2.479 2.176 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
588 1 43 ALA HA 1 46 TYR HB2 3.000 . 3.500 3.075 2.792 3.424 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
589 1 44 LEU HA 1 47 ASP H 3.000 . 3.500 3.400 3.078 3.507 0.007 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
590 1 44 LEU HA 1 47 ASP HB3 4.000 . 5.000 4.698 4.375 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
591 1 44 LEU HA 1 47 ASP HB2 4.000 . 5.000 3.293 2.874 3.768 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
592 1 44 LEU QD 1 47 ASP HB2 5.000 . 6.000 3.084 2.387 4.059 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
593 1 45 ALA HA 1 48 ARG H 3.000 . 3.500 3.443 3.269 3.533 0.033 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
594 1 46 TYR HA 1 49 ALA H 3.000 . 3.500 3.517 3.414 3.599 0.099 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
595 1 46 TYR HA 1 49 ALA MB 4.000 . 5.000 2.879 2.554 3.218 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
596 1 47 ASP HA 1 50 ALA H 4.000 . 5.000 3.309 3.111 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
597 1 47 ASP HA 1 50 ALA MB 3.000 . 3.500 2.506 2.006 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
598 1 48 ARG HA 1 51 PHE H 4.000 . 5.000 3.641 3.412 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
599 1 48 ARG HA 1 51 PHE HB3 3.000 . 3.500 3.364 2.830 3.534 0.034 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
600 1 48 ARG HA 1 51 PHE HB2 3.000 . 3.500 3.384 3.053 3.532 0.032 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
601 1 48 ARG HA 1 51 PHE QD 5.000 . 6.000 4.938 4.274 5.158 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
602 1 49 ALA HA 1 52 ARG H 3.000 . 3.500 3.470 3.374 3.543 0.043 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
603 1 49 ALA HA 1 52 ARG QB 3.000 . 3.500 3.004 2.641 3.172 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
604 1 50 ALA HA 1 53 MET H 4.000 . 5.000 3.803 3.476 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
605 1 50 ALA HA 1 53 MET QB 3.000 . 3.500 3.131 3.021 3.166 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
606 1 50 ALA HA 1 53 MET QG 5.000 . 6.000 5.051 4.679 5.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
607 1 51 PHE HA 1 54 ARG H 3.000 . 3.500 3.516 3.254 3.611 0.111 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
608 1 51 PHE HA 1 54 ARG QB 3.000 . 3.500 3.058 2.700 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
609 1 52 ARG H 1 55 GLY H 5.000 . 6.000 4.460 3.972 5.086 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
610 1 60 LEU HG 1 63 PRO HA 2.500 . 2.800 2.823 2.766 2.865 0.065 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
611 1 60 LEU HG 1 63 PRO HB3 4.000 . 5.000 2.927 2.144 3.908 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
612 1 60 LEU HG 1 63 PRO HD3 5.000 . 6.000 4.462 3.581 5.076 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
613 1 60 LEU MD1 1 63 PRO HB3 5.000 . 6.000 3.668 3.026 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
614 1 12 ARG H 1 16 LYS H 5.000 . 6.000 3.224 2.790 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
615 1 12 ARG H 1 16 LYS QB 4.000 . 5.000 4.274 3.848 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
616 1 12 ARG QB 1 16 LYS H 3.000 . 3.500 2.613 1.921 3.140 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
617 1 12 ARG QG 1 16 LYS H 5.000 . 6.000 3.886 1.693 5.253 0.107 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
618 1 24 PRO HA 1 28 GLY H 3.000 . 3.500 2.545 1.965 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
619 1 24 PRO HA 1 28 GLY QA 4.000 . 5.000 2.583 1.847 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
620 1 24 PRO HB3 1 28 GLY H 5.000 . 6.000 4.675 4.182 5.125 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
621 1 24 PRO HB2 1 28 GLY H 4.000 . 5.000 4.696 4.163 5.018 0.018 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
622 1 37 GLU H 1 41 ASP HB3 4.000 . 5.000 4.131 3.744 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
623 1 37 GLU H 1 41 ASP HB2 3.000 . 3.500 3.068 2.726 3.428 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
624 1 38 THR H 1 42 ALA MB 5.000 . 6.000 4.222 3.784 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
625 1 40 GLU HA 1 44 LEU H 4.000 . 5.000 3.994 3.779 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
626 1 41 ASP HA 1 45 ALA H 4.000 . 5.000 4.159 3.992 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
627 1 42 ALA HA 1 46 TYR H 4.000 . 5.000 4.298 4.060 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
628 1 42 ALA MB 1 46 TYR H 5.000 . 6.000 4.752 4.615 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
629 1 43 ALA HA 1 47 ASP H 4.000 . 5.000 4.505 4.305 4.757 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
630 1 44 LEU HA 1 48 ARG H 4.000 . 5.000 4.685 4.311 4.859 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
631 1 44 LEU QD 1 48 ARG H 5.000 . 6.000 4.041 3.304 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
632 1 45 ALA HA 1 49 ALA H 4.000 . 5.000 4.439 4.027 4.730 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
633 1 46 TYR HA 1 50 ALA H 4.000 . 5.000 4.144 3.743 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
634 1 46 TYR QE 1 50 ALA MB 4.000 . 5.000 2.459 2.059 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
635 1 47 ASP HA 1 51 PHE H 4.000 . 5.000 4.306 4.010 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
636 1 49 ALA MB 1 53 MET ME 5.000 . 6.000 3.341 2.366 4.104 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
637 1 50 ALA HA 1 54 ARG H 4.000 . 5.000 3.710 3.365 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
638 1 50 ALA HA 1 54 ARG QB 5.000 . 6.000 3.937 2.870 4.311 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
639 1 51 PHE HA 1 55 GLY H 4.000 . 5.000 3.725 1.893 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
640 1 51 PHE QD 1 55 GLY H 5.000 . 6.000 4.853 3.772 5.354 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
641 1 54 ARG QB 1 58 ALA H 5.000 . 6.000 4.666 3.399 5.302 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
642 1 54 ARG QB 1 58 ALA HA 4.000 . 5.000 3.293 2.228 4.224 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
643 1 54 ARG QG 1 58 ALA MB 4.000 . 5.000 3.198 2.052 3.712 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
644 1 54 ARG QD 1 58 ALA HA 4.000 . 5.000 3.274 1.871 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
645 1 54 ARG QD 1 58 ALA MB 4.000 . 5.000 2.394 1.638 3.730 0.162 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
646 1 60 LEU MD1 1 64 LEU H 5.000 . 6.000 3.369 2.218 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
647 1 6 TYR QD 1 39 ALA H 5.000 . 6.000 5.362 5.195 5.412 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
648 1 6 TYR QD 1 39 ALA HA 5.000 . 6.000 3.461 3.128 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
649 1 6 TYR QD 1 39 ALA MB 3.000 . 3.500 2.445 2.005 2.624 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
650 1 6 TYR QE 1 39 ALA HA 5.000 . 6.000 4.068 3.793 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
651 1 6 TYR QE 1 39 ALA MB 3.000 . 3.500 2.321 1.934 2.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
652 1 6 TYR QD 1 40 GLU HA 5.000 . 6.000 3.926 3.626 4.429 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
653 1 6 TYR QE 1 40 GLU H 4.000 . 5.000 3.266 2.977 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
654 1 6 TYR QE 1 40 GLU HA 4.000 . 5.000 2.134 1.862 2.822 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
655 1 6 TYR QE 1 40 GLU QG 4.000 . 5.000 3.794 3.456 3.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
656 1 6 TYR QD 1 42 ALA MB 5.000 . 6.000 4.177 3.905 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
657 1 6 TYR HB3 1 43 ALA MB 4.000 . 5.000 2.538 2.091 3.439 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
658 1 6 TYR HB2 1 43 ALA HA 5.000 . 6.000 4.134 3.754 4.595 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
659 1 6 TYR HB2 1 43 ALA MB 5.000 . 6.000 2.940 2.475 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
660 1 6 TYR QD 1 43 ALA H 5.000 . 6.000 3.529 3.172 4.166 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
661 1 6 TYR QD 1 43 ALA HA 5.000 . 6.000 3.940 3.801 4.211 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
662 1 6 TYR QD 1 43 ALA MB 3.000 . 3.500 2.104 1.916 2.315 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
663 1 6 TYR QE 1 43 ALA MB 3.000 . 3.500 2.628 2.598 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
664 1 6 TYR HB3 1 61 ASN QD 4.000 . 5.000 3.213 2.927 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
665 1 6 TYR QD 1 61 ASN HA 4.000 . 5.000 4.033 3.555 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
666 1 6 TYR QD 1 61 ASN HB3 4.000 . 5.000 2.362 1.860 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
667 1 6 TYR QD 1 61 ASN HB2 4.000 . 5.000 3.774 3.368 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
668 1 6 TYR QE 1 61 ASN HB3 4.000 . 5.000 3.485 2.614 3.987 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
669 1 6 TYR QE 1 61 ASN HB2 5.000 . 6.000 4.143 3.525 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
670 1 6 TYR QD 1 62 PHE QE 4.000 . 5.000 3.730 3.387 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
671 1 6 TYR QE 1 62 PHE HZ 3.000 . 3.500 2.704 2.415 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
672 1 6 TYR QE 1 62 PHE QE 3.000 . 3.500 2.316 1.980 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
673 1 7 ARG H 1 61 ASN HA 5.000 . 6.000 4.467 3.808 5.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
674 1 7 ARG H 1 61 ASN QD 5.000 . 6.000 4.794 4.216 5.349 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
675 1 8 GLY QA 1 19 ALA HA 5.000 . 6.000 4.359 3.754 4.669 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
676 1 8 GLY QA 1 20 GLU H 4.000 . 5.000 3.227 2.708 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
677 1 8 GLY QA 1 46 TYR HB2 4.000 . 5.000 4.091 3.358 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
678 1 8 GLY QA 1 46 TYR QD 3.000 . 3.500 2.712 2.252 2.811 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
679 1 8 GLY QA 1 46 TYR QE 4.000 . 5.000 2.721 2.337 3.255 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
680 1 9 VAL HB 1 17 PHE HB3 4.000 . 5.000 4.876 4.460 5.081 0.081 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
681 1 9 VAL HB 1 17 PHE QD 4.000 . 5.000 4.116 3.683 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
682 1 9 VAL MG1 1 17 PHE HB3 4.000 . 5.000 2.094 1.807 2.331 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
683 1 9 VAL MG1 1 17 PHE HB2 4.000 . 5.000 3.375 3.077 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
684 1 9 VAL MG1 1 17 PHE QD 3.000 . 3.500 1.887 1.781 2.186 0.019 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
685 1 9 VAL MG1 1 17 PHE QE 4.000 . 5.000 3.572 3.297 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
686 1 9 VAL MG2 1 17 PHE QD 5.000 . 6.000 4.452 4.274 4.492 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
687 1 9 VAL HA 1 18 ALA MB 4.000 . 5.000 4.158 3.955 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
688 1 9 VAL MG1 1 18 ALA H 5.000 . 6.000 2.598 2.138 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
689 1 9 VAL HA 1 19 ALA HA 3.000 . 3.500 2.608 2.378 2.763 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
690 1 9 VAL HA 1 19 ALA MB 4.000 . 5.000 4.047 3.819 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
691 1 9 VAL MG1 1 19 ALA H 5.000 . 6.000 4.450 3.992 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
692 1 9 VAL MG1 1 19 ALA HA 5.000 . 6.000 3.659 3.299 4.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
693 1 9 VAL MG2 1 19 ALA H 5.000 . 6.000 4.771 4.356 5.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
694 1 9 VAL MG2 1 19 ALA HA 5.000 . 6.000 2.735 2.218 3.082 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
695 1 9 VAL MG1 1 39 ALA HA 3.000 . 3.500 1.991 1.734 2.312 0.066 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
696 1 9 VAL MG1 1 39 ALA MB 4.000 . 5.000 2.427 1.837 2.859 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
697 1 9 VAL MG2 1 39 ALA HA 4.000 . 5.000 3.622 3.001 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
698 1 9 VAL MG2 1 40 GLU HA 5.000 . 6.000 4.885 4.520 5.031 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
699 1 9 VAL HA 1 42 ALA MB 5.000 . 6.000 3.195 2.902 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
700 1 9 VAL HB 1 42 ALA MB 4.000 . 5.000 3.991 3.685 4.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
701 1 9 VAL MG1 1 42 ALA MB 4.000 . 5.000 1.835 1.642 2.024 0.158 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
702 1 9 VAL MG2 1 42 ALA MB 4.000 . 5.000 2.200 1.818 2.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
703 1 9 VAL MG1 1 43 ALA H 5.000 . 6.000 3.227 2.857 3.714 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
704 1 9 VAL MG1 1 43 ALA HA 5.000 . 6.000 4.065 3.879 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
705 1 9 VAL MG1 1 43 ALA MB 4.000 . 5.000 3.471 3.233 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
706 1 9 VAL MG2 1 43 ALA H 4.000 . 5.000 2.608 2.268 3.238 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
707 1 9 VAL MG2 1 43 ALA HA 3.000 . 3.500 2.096 1.927 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
708 1 9 VAL MG2 1 43 ALA MB 4.000 . 5.000 2.175 1.852 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
709 1 9 VAL MG2 1 46 TYR HB3 5.000 . 6.000 3.525 3.247 3.796 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
710 1 9 VAL MG2 1 46 TYR HB2 4.000 . 5.000 3.157 2.812 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
711 1 9 VAL MG2 1 61 ASN QD 5.000 . 6.000 2.961 2.685 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
712 1 10 ARG H 1 18 ALA H 4.000 . 5.000 2.480 1.881 3.377 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
713 1 10 ARG H 1 18 ALA MB 4.000 . 5.000 2.742 2.332 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
714 1 10 ARG HB3 1 18 ALA H 5.000 . 6.000 4.208 2.746 5.180 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
715 1 10 ARG HB2 1 18 ALA H 5.000 . 6.000 3.788 2.873 5.280 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
716 1 10 ARG H 1 42 ALA MB 5.000 . 6.000 4.171 3.623 4.554 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
717 1 11 GLN HA 1 17 PHE HA 3.000 . 3.500 2.333 1.825 2.790 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
718 1 11 GLN HA 1 17 PHE QD 3.000 . 3.500 2.676 2.223 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
719 1 11 GLN HA 1 17 PHE QE 4.000 . 5.000 3.418 2.684 4.070 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
720 1 11 GLN QB 1 17 PHE QD 3.000 . 3.500 2.674 2.017 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
721 1 11 GLN QB 1 17 PHE QE 3.000 . 3.500 1.943 1.798 2.457 0.002 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
722 1 11 GLN QG 1 17 PHE QD 5.000 . 6.000 4.393 3.319 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
723 1 11 GLN QG 1 17 PHE QE 4.000 . 5.000 3.732 2.581 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
724 1 11 GLN HA 1 18 ALA H 4.000 . 5.000 4.080 3.589 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
725 1 12 ARG H 1 17 PHE HA 3.000 . 3.500 3.377 2.907 3.554 0.054 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
726 1 12 ARG H 1 17 PHE QD 4.000 . 5.000 4.136 3.195 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
727 1 12 ARG H 1 17 PHE QE 4.000 . 5.000 4.289 3.617 4.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
728 1 12 ARG H 1 18 ALA H 5.000 . 6.000 5.669 4.360 6.024 0.024 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
729 1 16 LYS QB 1 36 PHE H 4.000 . 5.000 3.936 2.770 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
730 1 17 PHE H 1 35 THR MG 5.000 . 6.000 4.983 4.767 5.045 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
731 1 17 PHE H 1 36 PHE H 3.000 . 3.500 2.494 2.003 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
732 1 17 PHE H 1 36 PHE HB2 5.000 . 6.000 3.935 3.139 4.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
733 1 17 PHE HB2 1 36 PHE H 4.000 . 5.000 3.174 2.546 3.819 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
734 1 17 PHE QD 1 36 PHE HB2 4.000 . 5.000 4.256 3.888 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
735 1 17 PHE H 1 37 GLU HA 5.000 . 6.000 4.207 3.549 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
736 1 17 PHE QD 1 37 GLU HA 5.000 . 6.000 4.082 3.543 4.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
737 1 17 PHE H 1 38 THR H 5.000 . 6.000 5.020 4.546 5.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
738 1 17 PHE QD 1 38 THR HA 3.000 . 3.500 2.555 1.879 3.152 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
739 1 17 PHE QD 1 38 THR HB 5.000 . 6.000 4.685 4.124 5.053 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
740 1 17 PHE QE 1 38 THR HA 2.500 . 2.800 2.309 1.981 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
741 1 17 PHE QE 1 38 THR HB 4.000 . 5.000 3.904 3.523 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
742 1 17 PHE QD 1 39 ALA H 4.000 . 5.000 3.601 3.176 3.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
743 1 17 PHE QD 1 39 ALA HA 3.000 . 3.500 2.601 2.015 3.071 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
744 1 17 PHE QD 1 39 ALA MB 4.000 . 5.000 2.510 1.989 3.242 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
745 1 17 PHE QE 1 39 ALA H 3.000 . 3.500 3.046 1.974 3.155 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
746 1 17 PHE QE 1 39 ALA HA 4.000 . 5.000 3.670 3.238 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
747 1 17 PHE QE 1 39 ALA MB 4.000 . 5.000 2.130 1.803 2.628 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
748 1 17 PHE HB3 1 42 ALA MB 4.000 . 5.000 2.454 1.919 2.966 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
749 1 17 PHE HB2 1 42 ALA MB 4.000 . 5.000 2.571 2.116 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
750 1 17 PHE QD 1 42 ALA MB 4.000 . 5.000 3.599 3.155 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
751 1 18 ALA HA 1 32 TRP HE1 5.000 . 6.000 3.951 3.676 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
752 1 18 ALA MB 1 32 TRP HD1 5.000 . 6.000 5.024 4.999 5.061 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
753 1 18 ALA MB 1 32 TRP HE1 4.000 . 5.000 3.632 3.330 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
754 1 18 ALA MB 1 32 TRP HE3 5.000 . 6.000 4.128 3.855 4.702 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
755 1 18 ALA MB 1 32 TRP HZ2 4.000 . 5.000 2.159 1.930 2.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
756 1 18 ALA MB 1 32 TRP HH2 5.000 . 6.000 2.381 2.104 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
757 1 18 ALA HA 1 35 THR HA 2.500 . 2.800 1.852 1.791 1.947 0.009 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
758 1 18 ALA HA 1 35 THR HB 5.000 . 6.000 3.714 3.384 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
759 1 18 ALA HA 1 35 THR MG 5.000 . 6.000 3.611 3.456 3.936 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
760 1 18 ALA MB 1 35 THR HA 4.000 . 5.000 3.122 2.907 3.262 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
761 1 18 ALA MB 1 35 THR MG 4.000 . 5.000 3.282 3.059 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
762 1 18 ALA HA 1 36 PHE H 4.000 . 5.000 3.341 2.664 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
763 1 18 ALA HA 1 36 PHE QD 3.000 . 3.500 3.075 2.632 3.152 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
764 1 18 ALA HA 1 36 PHE QE 4.000 . 5.000 4.425 4.217 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
765 1 18 ALA MB 1 36 PHE H 5.000 . 6.000 4.438 3.987 4.829 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
766 1 18 ALA H 1 42 ALA MB 5.000 . 6.000 3.314 2.770 4.083 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
767 1 18 ALA HA 1 42 ALA MB 5.000 . 6.000 3.555 3.153 3.874 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
768 1 19 ALA H 1 32 TRP HE1 5.000 . 6.000 4.421 4.022 4.865 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
769 1 19 ALA H 1 33 LEU H 5.000 . 6.000 5.010 4.500 5.224 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
770 1 19 ALA MB 1 33 LEU H 5.000 . 6.000 3.802 3.660 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
771 1 19 ALA H 1 34 GLY H 4.000 . 5.000 3.281 2.775 3.702 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
772 1 19 ALA MB 1 34 GLY H 5.000 . 6.000 3.282 2.955 3.695 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
773 1 19 ALA H 1 35 THR HA 4.000 . 5.000 3.210 3.045 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
774 1 19 ALA H 1 36 PHE H 5.000 . 6.000 4.407 3.985 4.943 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
775 1 19 ALA H 1 36 PHE QD 4.000 . 5.000 2.316 2.029 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
776 1 19 ALA H 1 36 PHE QE 4.000 . 5.000 2.648 2.447 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
777 1 19 ALA HA 1 36 PHE QE 5.000 . 6.000 4.333 4.160 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
778 1 19 ALA MB 1 36 PHE QD 3.000 . 3.500 2.598 2.510 2.628 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
779 1 19 ALA MB 1 36 PHE QE 3.000 . 3.500 1.845 1.724 2.150 0.076 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
780 1 19 ALA H 1 42 ALA MB 5.000 . 6.000 2.820 2.406 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
781 1 19 ALA HA 1 42 ALA MB 5.000 . 6.000 2.921 2.543 3.471 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
782 1 19 ALA MB 1 42 ALA HA 5.000 . 6.000 2.272 1.867 2.652 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
783 1 19 ALA MB 1 45 ALA MB 5.000 . 6.000 2.496 2.203 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
784 1 19 ALA HA 1 46 TYR HB3 5.000 . 6.000 5.055 4.675 5.375 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
785 1 19 ALA HA 1 46 TYR HB2 5.000 . 6.000 3.508 3.151 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
786 1 19 ALA MB 1 46 TYR H 4.000 . 5.000 3.042 2.651 3.301 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
787 1 19 ALA MB 1 46 TYR HB2 4.000 . 5.000 2.457 2.241 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
788 1 20 GLU HA 1 31 VAL H 5.000 . 6.000 4.747 4.286 5.547 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
789 1 20 GLU HA 1 32 TRP HA 3.000 . 3.500 2.611 2.413 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
790 1 20 GLU QB 1 32 TRP HZ3 5.000 . 6.000 5.228 4.762 5.387 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
791 1 20 GLU QG 1 32 TRP HB2 4.000 . 5.000 3.258 2.596 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
792 1 20 GLU QG 1 32 TRP HD1 5.000 . 6.000 4.573 3.770 5.360 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
793 1 20 GLU QG 1 32 TRP HE3 5.000 . 6.000 3.205 2.442 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
794 1 20 GLU QG 1 32 TRP HZ3 5.000 . 6.000 4.518 3.738 5.357 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
795 1 20 GLU HA 1 33 LEU H 3.000 . 3.500 2.121 1.955 2.283 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
796 1 20 GLU HA 1 33 LEU MD1 5.000 . 6.000 2.742 1.912 3.301 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
797 1 20 GLU QG 1 33 LEU H 5.000 . 6.000 3.255 2.728 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
798 1 21 ILE H 1 30 ARG HA 5.000 . 6.000 5.067 4.332 5.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
799 1 21 ILE H 1 31 VAL H 3.000 . 3.500 3.083 2.673 3.515 0.015 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
800 1 21 ILE H 1 31 VAL HB 3.000 . 3.500 2.882 2.429 3.350 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
801 1 21 ILE H 1 31 VAL MG1 5.000 . 6.000 3.364 2.985 3.984 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
802 1 21 ILE H 1 31 VAL MG2 5.000 . 6.000 4.445 4.084 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
803 1 21 ILE MG 1 31 VAL H 5.000 . 6.000 3.601 3.220 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
804 1 21 ILE MG 1 31 VAL HB 4.000 . 5.000 1.912 1.708 2.329 0.092 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
805 1 21 ILE MG 1 31 VAL MG2 5.000 . 6.000 2.925 2.570 3.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
806 1 21 ILE MD 1 31 VAL HB 5.000 . 6.000 4.369 4.111 4.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
807 1 21 ILE MD 1 31 VAL MG1 5.000 . 6.000 4.144 3.988 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
808 1 21 ILE H 1 33 LEU H 4.000 . 5.000 3.857 3.467 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
809 1 21 ILE H 1 33 LEU MD1 5.000 . 6.000 3.575 2.626 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
810 1 21 ILE HA 1 46 TYR QE 3.000 . 3.500 2.148 1.824 2.615 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
811 1 21 ILE HB 1 46 TYR HA 4.000 . 5.000 4.188 3.636 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
812 1 21 ILE HB 1 46 TYR QD 4.000 . 5.000 3.183 2.774 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
813 1 21 ILE HB 1 46 TYR QE 3.000 . 3.500 2.735 2.178 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
814 1 21 ILE HG13 1 46 TYR QE 3.000 . 3.500 2.897 2.347 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
815 1 21 ILE HG12 1 46 TYR QE 4.000 . 5.000 4.243 3.890 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
816 1 21 ILE MD 1 46 TYR HA 5.000 . 6.000 4.680 4.215 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
817 1 21 ILE MD 1 46 TYR QD 5.000 . 6.000 4.307 3.997 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
818 1 21 ILE MD 1 46 TYR QE 4.000 . 5.000 3.620 3.329 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
819 1 21 ILE MD 1 49 ALA H 5.000 . 6.000 4.789 4.360 5.006 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
820 1 21 ILE MD 1 49 ALA HA 5.000 . 6.000 4.458 3.943 4.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
821 1 21 ILE MD 1 49 ALA MB 4.000 . 5.000 2.833 2.351 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
822 1 21 ILE MD 1 50 ALA H 4.000 . 5.000 3.335 2.773 3.755 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
823 1 21 ILE MD 1 50 ALA HA 3.000 . 3.500 1.925 1.735 2.342 0.065 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
824 1 21 ILE MD 1 50 ALA MB 4.000 . 5.000 2.113 1.766 2.722 0.034 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
825 1 21 ILE MD 1 51 PHE H 5.000 . 6.000 4.459 4.122 4.867 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
826 1 21 ILE MG 1 53 MET ME 4.000 . 5.000 2.178 1.602 3.404 0.198 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
827 1 21 ILE MD 1 53 MET H 5.000 . 6.000 4.304 3.813 4.819 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
828 1 21 ILE MD 1 53 MET ME 4.000 . 5.000 2.264 1.759 3.205 0.041 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
829 1 21 ILE MD 1 53 MET QG 5.000 . 6.000 3.866 2.832 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
830 1 21 ILE MD 1 54 ARG H 5.000 . 6.000 4.391 3.952 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
831 1 21 ILE MD 1 54 ARG QB 5.000 . 6.000 4.431 3.719 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
832 1 21 ILE MD 1 54 ARG QG 5.000 . 6.000 3.640 2.717 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
833 1 21 ILE MD 1 54 ARG QD 5.000 . 6.000 3.612 2.462 4.453 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
834 1 22 ARG HA 1 30 ARG HA 3.000 . 3.500 2.732 1.912 3.384 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
835 1 22 ARG HA 1 31 VAL H 4.000 . 5.000 3.462 2.758 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
836 1 22 ARG H 1 46 TYR QE 4.000 . 5.000 3.834 3.340 4.450 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
837 1 23 ASP H 1 29 ALA H 4.000 . 5.000 3.824 2.842 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
838 1 23 ASP H 1 29 ALA MB 5.000 . 6.000 4.431 3.781 5.016 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
839 1 23 ASP HB3 1 29 ALA MB 4.000 . 5.000 3.360 2.019 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
840 1 23 ASP H 1 30 ARG HA 3.000 . 3.500 3.262 2.827 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
841 1 23 ASP H 1 31 VAL H 4.000 . 5.000 4.249 3.033 4.857 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
842 1 23 ASP H 1 31 VAL HB 5.000 . 6.000 4.610 3.844 5.327 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
843 1 23 ASP H 1 31 VAL MG2 4.000 . 5.000 3.546 2.518 4.100 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
844 1 23 ASP HB3 1 31 VAL MG2 4.000 . 5.000 2.893 2.035 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
845 1 23 ASP HB2 1 31 VAL MG2 4.000 . 5.000 2.385 1.800 3.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
846 1 23 ASP HA 1 53 MET ME 4.000 . 5.000 3.726 2.257 4.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
847 1 23 ASP HB3 1 53 MET ME 5.000 . 6.000 3.704 2.748 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
848 1 26 LYS QG 1 53 MET ME 5.000 . 6.000 4.210 3.286 4.450 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
849 1 26 LYS QG 1 53 MET QG 5.000 . 6.000 4.387 3.460 4.757 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
850 1 31 VAL MG1 1 53 MET ME 5.000 . 6.000 2.786 1.854 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
851 1 31 VAL MG2 1 53 MET ME 5.000 . 6.000 2.335 1.829 3.162 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
852 1 33 LEU HB3 1 45 ALA MB 4.000 . 5.000 3.270 2.678 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
853 1 33 LEU HB2 1 45 ALA MB 5.000 . 6.000 3.768 3.148 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
854 1 33 LEU MD1 1 46 TYR H 5.000 . 6.000 3.831 3.383 4.810 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
855 1 33 LEU MD1 1 46 TYR HA 3.000 . 3.500 2.002 1.785 2.660 0.015 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
856 1 33 LEU MD1 1 46 TYR HB2 4.000 . 5.000 3.212 2.846 3.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
857 1 33 LEU MD1 1 46 TYR QD 5.000 . 6.000 3.082 2.637 3.396 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
858 1 33 LEU MD1 1 46 TYR QE 5.000 . 6.000 4.422 4.114 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
859 1 33 LEU MD1 1 49 ALA H 4.000 . 5.000 3.630 3.045 4.156 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
860 1 33 LEU MD1 1 49 ALA MB 3.000 . 3.500 1.990 1.692 2.380 0.108 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
861 1 33 LEU MD2 1 49 ALA H 4.000 . 5.000 3.394 2.423 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
862 1 33 LEU MD2 1 49 ALA MB 3.000 . 3.500 1.697 1.570 2.069 0.230 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
863 1 33 LEU MD1 1 50 ALA H 5.000 . 6.000 4.384 3.824 4.868 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
864 1 33 LEU MD2 1 50 ALA H 5.000 . 6.000 4.712 3.909 4.987 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
865 1 36 PHE HB3 1 41 ASP HB3 4.000 . 5.000 3.558 3.353 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
866 1 36 PHE HB3 1 41 ASP HB2 3.000 . 3.500 2.020 1.830 2.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
867 1 36 PHE HB2 1 41 ASP HB3 5.000 . 6.000 5.081 4.842 5.608 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
868 1 36 PHE HB2 1 41 ASP HB2 4.000 . 5.000 3.442 3.140 3.958 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
869 1 36 PHE QD 1 41 ASP HB3 4.000 . 5.000 2.775 2.464 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
870 1 36 PHE QD 1 41 ASP HB2 3.000 . 3.500 2.429 2.179 2.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
871 1 36 PHE QE 1 41 ASP HB3 5.000 . 6.000 4.257 3.997 5.332 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
872 1 36 PHE QE 1 41 ASP HB2 4.000 . 5.000 4.425 4.145 4.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
873 1 36 PHE H 1 42 ALA MB 5.000 . 6.000 3.576 3.158 4.205 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
874 1 36 PHE HB3 1 42 ALA H 4.000 . 5.000 3.034 2.465 3.414 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
875 1 36 PHE HB3 1 42 ALA MB 4.000 . 5.000 3.153 2.832 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
876 1 36 PHE HB2 1 42 ALA H 4.000 . 5.000 3.061 2.772 3.447 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
877 1 36 PHE HB2 1 42 ALA HA 3.000 . 3.500 3.325 3.149 3.525 0.025 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
878 1 36 PHE HB2 1 42 ALA MB 4.000 . 5.000 1.974 1.825 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
879 1 36 PHE QD 1 42 ALA HA 3.000 . 3.500 2.766 2.568 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
880 1 36 PHE QD 1 42 ALA MB 3.000 . 3.500 1.984 1.840 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
881 1 36 PHE QE 1 42 ALA HA 3.000 . 3.500 3.090 2.962 3.149 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
882 1 36 PHE QE 1 42 ALA MB 4.000 . 5.000 3.434 3.246 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
883 1 36 PHE QD 1 45 ALA MB 4.000 . 5.000 3.713 3.632 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
884 1 36 PHE QE 1 45 ALA MB 3.000 . 3.500 2.366 2.197 2.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
885 1 40 GLU HA 1 62 PHE HZ 3.000 . 3.500 2.295 1.874 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
886 1 40 GLU HA 1 62 PHE QE 3.000 . 3.500 3.133 3.027 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
887 1 40 GLU HB2 1 62 PHE HZ 5.000 . 6.000 4.310 3.847 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
888 1 40 GLU QG 1 62 PHE HZ 3.000 . 3.500 2.865 2.475 3.131 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
889 1 40 GLU QG 1 62 PHE QE 4.000 . 5.000 2.896 2.611 3.320 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
890 1 43 ALA HA 1 61 ASN QD 3.000 . 3.500 2.031 1.820 2.234 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
891 1 43 ALA MB 1 61 ASN HB2 4.000 . 5.000 2.447 2.130 2.688 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
892 1 43 ALA MB 1 61 ASN QD 4.000 . 5.000 1.825 1.773 1.913 0.027 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
893 1 43 ALA H 1 62 PHE HZ 4.000 . 5.000 4.408 4.090 4.717 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
894 1 43 ALA MB 1 62 PHE HZ 4.000 . 5.000 2.162 1.769 2.348 0.031 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
895 1 43 ALA MB 1 62 PHE QD 4.000 . 5.000 3.604 3.464 3.712 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
896 1 43 ALA MB 1 62 PHE QE 3.000 . 3.500 2.310 1.950 2.568 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
897 1 44 LEU H 1 62 PHE QD 5.000 . 6.000 3.956 3.559 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
898 1 44 LEU H 1 62 PHE QE 4.000 . 5.000 2.402 1.986 2.675 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
899 1 44 LEU HA 1 62 PHE QD 4.000 . 5.000 2.264 1.982 2.633 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
900 1 44 LEU HA 1 62 PHE QE 3.000 . 3.500 3.030 2.712 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
901 1 44 LEU HB3 1 62 PHE QD 5.000 . 6.000 4.399 3.871 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
902 1 44 LEU HB3 1 62 PHE QE 4.000 . 5.000 4.047 3.636 4.321 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
903 1 44 LEU HB2 1 62 PHE HZ 4.000 . 5.000 4.935 4.715 5.041 0.041 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
904 1 44 LEU HB2 1 62 PHE QD 4.000 . 5.000 3.243 2.495 3.772 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
905 1 44 LEU HB2 1 62 PHE QE 4.000 . 5.000 2.568 2.272 2.786 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
906 1 44 LEU QD 1 62 PHE HB3 4.000 . 5.000 3.674 3.306 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
907 1 44 LEU QD 1 62 PHE HB2 5.000 . 6.000 2.984 2.715 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
908 1 44 LEU QD 1 62 PHE QD 4.000 . 5.000 1.855 1.682 2.408 0.118 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
909 1 44 LEU QD 1 62 PHE QE 4.000 . 5.000 2.973 2.066 3.327 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
910 1 46 TYR QD 1 60 LEU HA 5.000 . 6.000 3.288 2.850 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
911 1 46 TYR QE 1 60 LEU HA 3.000 . 3.500 2.437 1.841 3.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
912 1 46 TYR H 1 61 ASN QD 4.000 . 5.000 3.609 3.421 3.702 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
913 1 46 TYR HB3 1 61 ASN QD 3.000 . 3.500 1.852 1.793 1.981 0.007 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
914 1 46 TYR HB2 1 61 ASN QD 3.000 . 3.500 3.136 2.935 3.183 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
915 1 46 TYR QE 1 61 ASN H 5.000 . 6.000 3.828 3.270 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
916 1 46 TYR QE 1 61 ASN QD 5.000 . 6.000 4.367 3.872 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
917 1 47 ASP HA 1 60 LEU MD2 3.000 . 3.500 2.889 2.674 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
918 1 47 ASP HB2 1 60 LEU MD1 5.000 . 6.000 3.384 3.089 4.099 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
919 1 47 ASP HB2 1 60 LEU MD2 5.000 . 6.000 4.826 4.482 5.034 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
920 1 50 ALA HA 1 58 ALA MB 5.000 . 6.000 4.335 3.766 5.034 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
921 1 50 ALA MB 1 58 ALA MB 5.000 . 6.000 2.994 2.270 3.734 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
922 1 50 ALA H 1 60 LEU MD2 5.000 . 6.000 4.307 3.954 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
923 1 51 PHE QD 1 57 ARG HA 5.000 . 6.000 5.017 3.595 5.360 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
924 1 51 PHE QE 1 57 ARG HA 4.000 . 5.000 3.348 2.062 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
925 1 51 PHE H 1 58 ALA MB 5.000 . 6.000 4.365 3.872 4.849 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
926 1 51 PHE HA 1 58 ALA MB 3.000 . 3.500 2.536 2.068 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
927 1 51 PHE QD 1 58 ALA MB 4.000 . 5.000 2.817 2.112 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
928 1 51 PHE QE 1 58 ALA MB 5.000 . 6.000 3.596 2.858 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
929 1 51 PHE H 1 60 LEU MD2 5.000 . 6.000 3.960 3.488 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
930 1 51 PHE HB3 1 60 LEU MD1 5.000 . 6.000 4.675 3.349 5.015 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
931 1 51 PHE HB3 1 60 LEU MD2 5.000 . 6.000 4.577 3.750 4.948 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
932 1 51 PHE HB2 1 60 LEU MD1 4.000 . 5.000 3.255 2.014 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
933 1 51 PHE HB2 1 60 LEU MD2 4.000 . 5.000 3.124 2.256 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
934 1 51 PHE QD 1 60 LEU MD1 5.000 . 6.000 2.510 1.914 3.049 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
935 1 51 PHE QD 1 60 LEU MD2 5.000 . 6.000 2.141 1.763 3.149 0.037 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
936 1 51 PHE QD 1 60 LEU QB 5.000 . 6.000 4.574 4.081 4.770 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
937 1 51 PHE QE 1 60 LEU MD1 5.000 . 6.000 3.454 2.531 3.964 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
938 1 51 PHE QE 1 60 LEU MD2 5.000 . 6.000 3.495 2.248 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 61
_Distance_constraint_stats_list.Viol_count 341
_Distance_constraint_stats_list.Viol_total 1136.724
_Distance_constraint_stats_list.Viol_max 0.684
_Distance_constraint_stats_list.Viol_rms 0.0524
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0725
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 6 TYR 0.873 0.126 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 8 GLY 0.003 0.003 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 9 VAL 0.873 0.126 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 10 ARG 0.431 0.051 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 PHE 0.088 0.019 8 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 ALA 0.431 0.051 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 ALA 1.124 0.082 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 GLU 0.003 0.003 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 ILE 0.152 0.022 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 ASP 0.092 0.024 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 ALA 0.092 0.024 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 VAL 0.152 0.022 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 GLY 1.124 0.082 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 36 PHE 0.088 0.019 8 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 THR 0.413 0.133 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 40 GLU 0.273 0.133 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 ASP 0.091 0.045 46 0 "[ . 1 . 2 . 3 . 4 . ]"
1 42 ALA 0.051 0.027 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 43 ALA 1.833 0.071 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 44 LEU 0.821 0.073 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 ALA 0.037 0.023 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 46 TYR 0.002 0.002 27 0 "[ . 1 . 2 . 3 . 4 . ]"
1 47 ASP 18.311 0.684 7 7 "[ . + *1 . *- 2 .* * 3 *. 4 . ]"
1 48 ARG 0.876 0.073 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 ALA 0.566 0.051 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 PHE 0.009 0.009 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 ARG 0.055 0.016 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 MET 0.529 0.051 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 61 ASN 1.781 0.071 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 62 PHE 18.250 0.684 7 7 "[ . + *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 6 TYR O 1 9 VAL H 2.300 . 2.500 2.474 2.159 2.626 0.126 32 0 "[ . 1 . 2 . 3 . 4 . ]" 2
2 1 6 TYR O 1 9 VAL N 3.300 2.500 3.500 3.359 3.083 3.519 0.019 34 0 "[ . 1 . 2 . 3 . 4 . ]" 2
3 1 10 ARG H 1 18 ALA O 2.300 . 2.500 2.134 2.070 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
4 1 10 ARG N 1 18 ALA O 3.300 2.500 3.500 3.031 2.797 3.252 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
5 1 12 ARG H 1 16 LYS O 2.300 . 2.500 2.154 2.013 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
6 1 12 ARG N 1 16 LYS O 3.300 2.500 3.500 2.984 2.612 3.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
7 1 17 PHE H 1 36 PHE O 2.300 . 2.500 2.350 2.089 2.518 0.018 2 0 "[ . 1 . 2 . 3 . 4 . ]" 2
8 1 17 PHE N 1 36 PHE O 3.300 2.500 3.500 3.200 2.772 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
9 1 10 ARG O 1 18 ALA H 2.300 . 2.500 2.468 2.242 2.551 0.051 2 0 "[ . 1 . 2 . 3 . 4 . ]" 2
10 1 10 ARG O 1 18 ALA N 3.300 2.500 3.500 3.066 2.773 3.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
11 1 19 ALA H 1 34 GLY O 2.300 . 2.500 2.160 2.083 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
12 1 19 ALA N 1 34 GLY O 3.300 2.500 3.500 3.084 2.855 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
13 1 8 GLY O 1 20 GLU H 2.300 . 2.500 2.173 2.064 2.503 0.003 16 0 "[ . 1 . 2 . 3 . 4 . ]" 2
14 1 8 GLY O 1 20 GLU N 3.300 2.500 3.500 3.041 2.822 3.405 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
15 1 21 ILE H 1 31 VAL O 2.300 . 2.500 2.205 2.087 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
16 1 21 ILE N 1 31 VAL O 3.300 2.500 3.500 3.091 2.861 3.321 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
17 1 21 ILE O 1 31 VAL H 2.300 . 2.500 2.396 2.111 2.522 0.022 19 0 "[ . 1 . 2 . 3 . 4 . ]" 2
18 1 21 ILE O 1 31 VAL N 3.300 2.500 3.500 3.094 2.850 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
19 1 19 ALA O 1 33 LEU H 2.300 . 2.500 2.111 2.030 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
20 1 19 ALA O 1 33 LEU N 3.300 2.500 3.500 2.751 2.649 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
21 1 19 ALA O 1 34 GLY H 2.300 . 2.500 2.521 2.452 2.582 0.082 24 0 "[ . 1 . 2 . 3 . 4 . ]" 2
22 1 19 ALA O 1 34 GLY N 3.300 2.500 3.500 3.406 3.333 3.494 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
23 1 17 PHE O 1 36 PHE H 2.300 . 2.500 2.170 2.071 2.504 0.004 26 0 "[ . 1 . 2 . 3 . 4 . ]" 2
24 1 17 PHE O 1 36 PHE N 3.300 2.500 3.500 2.973 2.481 3.400 0.019 8 0 "[ . 1 . 2 . 3 . 4 . ]" 2
25 1 38 THR O 1 42 ALA H 2.300 . 2.500 2.319 2.131 2.527 0.027 11 0 "[ . 1 . 2 . 3 . 4 . ]" 2
26 1 38 THR O 1 42 ALA N 3.300 2.500 3.500 3.265 3.101 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
27 1 39 ALA O 1 43 ALA H 2.300 . 2.500 2.084 2.053 2.161 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
28 1 39 ALA O 1 43 ALA N 3.300 2.500 3.500 2.911 2.730 3.006 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
29 1 40 GLU O 1 44 LEU H 2.300 . 2.500 2.136 2.007 2.304 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
30 1 40 GLU O 1 44 LEU N 3.300 2.500 3.500 3.031 2.871 3.196 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
31 1 41 ASP O 1 45 ALA H 2.300 . 2.500 2.142 2.082 2.386 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
32 1 41 ASP O 1 45 ALA N 3.300 2.500 3.500 3.084 2.922 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
33 1 42 ALA O 1 46 TYR H 2.300 . 2.500 2.268 2.094 2.502 0.002 27 0 "[ . 1 . 2 . 3 . 4 . ]" 2
34 1 42 ALA O 1 46 TYR N 3.300 2.500 3.500 3.018 2.841 3.232 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
35 1 43 ALA O 1 47 ASP H 2.300 . 2.500 2.317 2.172 2.531 0.031 14 0 "[ . 1 . 2 . 3 . 4 . ]" 2
36 1 43 ALA O 1 47 ASP N 3.300 2.500 3.500 3.131 2.950 3.340 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
37 1 44 LEU O 1 48 ARG H 2.300 . 2.500 2.478 2.165 2.573 0.073 22 0 "[ . 1 . 2 . 3 . 4 . ]" 2
38 1 44 LEU O 1 48 ARG N 3.300 2.500 3.500 3.424 3.121 3.514 0.014 22 0 "[ . 1 . 2 . 3 . 4 . ]" 2
39 1 45 ALA O 1 49 ALA H 2.300 . 2.500 2.395 2.207 2.523 0.023 10 0 "[ . 1 . 2 . 3 . 4 . ]" 2
40 1 45 ALA O 1 49 ALA N 3.300 2.500 3.500 3.293 3.091 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
41 1 46 TYR O 1 50 ALA H 2.300 . 2.500 2.072 2.026 2.102 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
42 1 46 TYR O 1 50 ALA N 3.300 2.500 3.500 2.835 2.693 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
43 1 47 ASP O 1 51 PHE H 2.300 . 2.500 2.231 2.087 2.509 0.009 36 0 "[ . 1 . 2 . 3 . 4 . ]" 2
44 1 47 ASP O 1 51 PHE N 3.300 2.500 3.500 2.827 2.577 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
45 1 48 ARG O 1 52 ARG H 2.300 . 2.500 2.362 2.104 2.516 0.016 45 0 "[ . 1 . 2 . 3 . 4 . ]" 2
46 1 48 ARG O 1 52 ARG N 3.300 2.500 3.500 3.230 3.026 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
47 1 49 ALA O 1 53 MET H 2.300 . 2.500 2.472 2.107 2.551 0.051 16 0 "[ . 1 . 2 . 3 . 4 . ]" 2
48 1 49 ALA O 1 53 MET N 3.300 2.500 3.500 3.375 3.067 3.504 0.004 6 0 "[ . 1 . 2 . 3 . 4 . ]" 2
49 1 23 ASP OD1 1 25 ALA H 2.300 . 2.500 2.391 2.108 2.524 0.024 5 0 "[ . 1 . 2 . 3 . 4 . ]" 2
50 1 23 ASP OD1 1 25 ALA N 3.300 2.500 3.500 3.019 2.839 3.263 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
51 1 38 THR H 1 41 ASP OD2 2.300 . 2.500 2.287 2.108 2.528 0.028 11 0 "[ . 1 . 2 . 3 . 4 . ]" 2
52 1 38 THR N 1 41 ASP OD2 3.300 2.500 3.500 2.848 2.662 3.099 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
53 1 38 THR OG1 1 40 GLU H 2.300 . 2.500 2.432 2.172 2.633 0.133 38 0 "[ . 1 . 2 . 3 . 4 . ]" 2
54 1 38 THR OG1 1 40 GLU N 3.300 2.500 3.500 3.116 2.932 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
55 1 38 THR OG1 1 41 ASP H 2.300 . 2.500 2.318 2.109 2.545 0.045 46 0 "[ . 1 . 2 . 3 . 4 . ]" 2
56 1 38 THR OG1 1 41 ASP N 3.300 2.500 3.500 3.244 3.021 3.429 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
57 1 43 ALA O 1 61 ASN HD21 2.300 . 2.500 2.100 2.052 2.149 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
58 1 43 ALA O 1 61 ASN HD22 2.300 . 2.500 2.539 2.514 2.571 0.071 40 0 "[ . 1 . 2 . 3 . 4 . ]" 2
59 1 43 ALA O 1 61 ASN ND2 3.300 2.500 3.500 2.621 2.574 2.655 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
60 1 47 ASP OD1 1 62 PHE H 2.300 . 2.500 2.709 2.401 3.184 0.684 7 7 "[ . + *1 . *- 2 .* * 3 *. 4 . ]" 2
61 1 47 ASP OD1 1 62 PHE N 3.300 2.500 3.500 3.674 3.371 4.105 0.605 7 5 "[ . + *1 . * 2 .- 3 *. 4 . ]" 2
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