NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
380990 |
1irh   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1irh
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 607
_Distance_constraint_stats_list.Viol_count 158
_Distance_constraint_stats_list.Viol_total 79.182
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0251
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.039 0.039 9 0 "[ . 1 . 2]"
1 6 SER 0.201 0.048 1 0 "[ . 1 . 2]"
1 7 TRP 0.103 0.039 9 0 "[ . 1 . 2]"
1 8 CYS 0.152 0.048 1 0 "[ . 1 . 2]"
1 9 LEU 0.193 0.062 20 0 "[ . 1 . 2]"
1 10 THR 0.003 0.003 9 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.071 0.028 2 0 "[ . 1 . 2]"
1 16 LEU 0.071 0.028 2 0 "[ . 1 . 2]"
1 17 CYS 0.255 0.177 5 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.107 0.076 4 0 "[ . 1 . 2]"
1 21 GLU 0.199 0.092 11 0 "[ . 1 . 2]"
1 22 ASN 0.092 0.092 11 0 "[ . 1 . 2]"
1 23 ARG 0.006 0.006 8 0 "[ . 1 . 2]"
1 24 PHE 0.122 0.048 2 0 "[ . 1 . 2]"
1 25 TYR 0.153 0.038 13 0 "[ . 1 . 2]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 0.167 0.041 16 0 "[ . 1 . 2]"
1 28 SER 0.091 0.045 17 0 "[ . 1 . 2]"
1 29 VAL 0.566 0.061 10 0 "[ . 1 . 2]"
1 30 ILE 0.738 0.067 19 0 "[ . 1 . 2]"
1 31 GLY 0.341 0.053 8 0 "[ . 1 . 2]"
1 32 LYS 0.591 0.067 19 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.153 0.038 13 0 "[ . 1 . 2]"
1 35 PRO 0.006 0.006 8 0 "[ . 1 . 2]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.002 0.002 17 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 CYS 0.255 0.177 5 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASN 0.129 0.058 15 0 "[ . 1 . 2]"
1 47 ASN 0.188 0.058 15 0 "[ . 1 . 2]"
1 48 PHE 0.196 0.058 5 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.156 0.058 5 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.194 0.057 18 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.496 0.074 20 0 "[ . 1 . 2]"
1 56 ARG 0.639 0.142 9 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.625 0.142 9 0 "[ . 1 . 2]"
1 59 LYS 0.302 0.074 20 0 "[ . 1 . 2]"
1 60 LYS 0.073 0.025 17 0 "[ . 1 . 2]"
1 61 GLY 0.059 0.025 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 ALA HA 1 25 TYR QD 5.000 . 7.000 3.311 2.200 4.321 . 0 0 "[ . 1 . 2]" 1
2 1 12 ALA MB 1 36 PHE QB 5.000 . 6.900 3.147 2.139 3.891 . 0 0 "[ . 1 . 2]" 1
3 1 12 ALA MB 1 36 PHE QD 4.000 . 7.000 3.073 2.568 3.874 . 0 0 "[ . 1 . 2]" 1
4 1 12 ALA MB 1 25 TYR HA 5.000 . 6.000 4.070 3.380 4.688 . 0 0 "[ . 1 . 2]" 1
5 1 12 ALA MB 1 25 TYR QD 4.000 . 7.000 2.627 2.262 2.890 . 0 0 "[ . 1 . 2]" 1
6 1 12 ALA MB 1 25 TYR QE 5.000 . 8.000 3.150 2.753 3.549 . 0 0 "[ . 1 . 2]" 1
7 1 19 ALA HA 1 20 ASN QB 5.000 . 5.900 4.248 4.003 4.510 . 0 0 "[ . 1 . 2]" 1
8 1 19 ALA MB 1 21 GLU QG 5.000 . 6.900 2.918 2.126 4.592 . 0 0 "[ . 1 . 2]" 1
9 1 19 ALA MB 1 40 GLY QA 5.000 . 6.900 3.386 2.440 4.961 . 0 0 "[ . 1 . 2]" 1
10 1 19 ALA MB 1 20 ASN QB 5.000 . 6.900 4.715 4.271 4.962 . 0 0 "[ . 1 . 2]" 1
11 1 19 ALA MB 1 39 SER HA 4.000 . 5.000 2.508 1.925 4.283 . 0 0 "[ . 1 . 2]" 1
12 1 33 CYS HA 1 34 ARG QB 5.000 . 5.900 4.165 3.997 4.352 . 0 0 "[ . 1 . 2]" 1
13 1 33 CYS HA 1 34 ARG QG 5.000 . 5.900 4.440 3.843 4.950 . 0 0 "[ . 1 . 2]" 1
14 1 33 CYS QB 1 51 LYS HA 4.000 . 4.900 3.404 2.832 3.919 . 0 0 "[ . 1 . 2]" 1
15 1 33 CYS QB 1 51 LYS QB 5.000 . 6.800 4.230 3.659 5.044 . 0 0 "[ . 1 . 2]" 1
16 1 33 CYS QB 1 51 LYS QG 4.000 . 5.800 2.726 2.153 3.667 . 0 0 "[ . 1 . 2]" 1
17 1 33 CYS QB 1 55 LEU QD 5.000 . 8.500 3.624 2.582 4.427 . 0 0 "[ . 1 . 2]" 1
18 1 33 CYS QB 1 34 ARG QG 5.000 . 6.800 5.204 4.597 5.471 . 0 0 "[ . 1 . 2]" 1
19 1 54 CYS HA 1 57 ALA MB 4.000 . 5.000 2.990 2.621 3.525 . 0 0 "[ . 1 . 2]" 1
20 1 8 CYS HA 1 46 ASN QB 5.000 . 5.900 3.696 2.856 4.335 . 0 0 "[ . 1 . 2]" 1
21 1 8 CYS QB 1 58 CYS QB 5.000 . 6.800 3.871 1.933 4.481 . 0 0 "[ . 1 . 2]" 1
22 1 8 CYS QB 1 9 LEU QD 5.000 . 8.500 3.343 2.299 4.365 . 0 0 "[ . 1 . 2]" 1
23 1 8 CYS QB 1 9 LEU HG 5.000 . 5.900 3.308 2.283 4.435 . 0 0 "[ . 1 . 2]" 1
24 1 8 CYS QB 1 26 TYR QE 5.000 . 7.900 4.943 3.871 5.677 . 0 0 "[ . 1 . 2]" 1
25 1 13 ASP QB 1 43 GLY QA 5.000 . 6.800 2.586 2.194 3.589 . 0 0 "[ . 1 . 2]" 1
26 1 21 GLU HA 1 22 ASN QB 5.000 . 5.900 3.926 3.653 4.294 . 0 0 "[ . 1 . 2]" 1
27 1 21 GLU QB 1 23 ARG QG 5.000 . 6.800 2.885 2.329 3.425 . 0 0 "[ . 1 . 2]" 1
28 1 21 GLU QB 1 38 TYR QB 5.000 . 6.800 2.177 1.801 3.072 . 0 0 "[ . 1 . 2]" 1
29 1 21 GLU QB 1 38 TYR QD 5.000 . 7.900 3.134 2.424 3.798 . 0 0 "[ . 1 . 2]" 1
30 1 21 GLU QG 1 23 ARG QG 5.000 . 6.800 4.426 3.759 5.097 . 0 0 "[ . 1 . 2]" 1
31 1 53 GLU HA 1 56 ARG QB 4.000 . 4.900 2.467 2.123 2.911 . 0 0 "[ . 1 . 2]" 1
32 1 53 GLU HA 1 56 ARG QD 4.000 . 4.900 3.503 2.721 4.182 . 0 0 "[ . 1 . 2]" 1
33 1 53 GLU HA 1 56 ARG QG 5.000 . 5.900 4.449 3.796 4.799 . 0 0 "[ . 1 . 2]" 1
34 1 2 PHE HA 1 2 PHE QD 4.000 . 6.000 2.876 2.215 3.716 . 0 0 "[ . 1 . 2]" 1
35 1 2 PHE QB 1 9 LEU QD 5.000 . 8.500 4.314 2.069 5.654 . 0 0 "[ . 1 . 2]" 1
36 1 2 PHE QD 1 9 LEU QD 5.000 . 9.600 4.184 2.341 5.749 . 0 0 "[ . 1 . 2]" 1
37 1 24 PHE HA 1 24 PHE QD 4.000 . 6.000 2.819 2.523 3.024 . 0 0 "[ . 1 . 2]" 1
38 1 24 PHE HA 1 36 PHE QD 4.000 . 6.000 3.342 3.109 3.591 . 0 0 "[ . 1 . 2]" 1
39 1 24 PHE HA 1 35 PRO HA 4.000 . 4.000 2.024 1.954 2.345 . 0 0 "[ . 1 . 2]" 1
40 1 24 PHE HA 1 35 PRO QB 5.000 . 5.900 3.518 3.278 3.935 . 0 0 "[ . 1 . 2]" 1
41 1 24 PHE QD 1 33 CYS QB 4.000 . 6.900 2.207 1.852 3.004 . 0 0 "[ . 1 . 2]" 1
42 1 24 PHE QD 1 51 LYS QB 5.000 . 7.900 3.752 3.168 4.623 . 0 0 "[ . 1 . 2]" 1
43 1 24 PHE QD 1 35 PRO HA 4.000 . 6.000 3.647 3.196 3.927 . 0 0 "[ . 1 . 2]" 1
44 1 24 PHE QD 1 35 PRO QB 5.000 . 7.900 3.653 2.970 3.968 . 0 0 "[ . 1 . 2]" 1
45 1 24 PHE QD 1 35 PRO QD 5.000 . 7.900 3.504 2.840 4.527 . 0 0 "[ . 1 . 2]" 1
46 1 24 PHE QD 1 34 ARG HA 4.000 . 6.000 4.524 3.888 5.381 . 0 0 "[ . 1 . 2]" 1
47 1 24 PHE QD 1 50 SER HA 4.000 . 6.000 3.453 2.372 4.567 . 0 0 "[ . 1 . 2]" 1
48 1 24 PHE QD 1 49 THR HA 5.000 . 7.000 4.074 2.754 5.052 . 0 0 "[ . 1 . 2]" 1
49 1 24 PHE QE 1 51 LYS QB 5.000 . 7.900 3.170 2.244 4.053 . 0 0 "[ . 1 . 2]" 1
50 1 36 PHE QE 1 38 TYR QB 5.000 . 7.900 2.913 2.437 4.138 . 0 0 "[ . 1 . 2]" 1
51 1 36 PHE QE 1 38 TYR QD 4.000 . 8.000 2.091 1.974 2.252 . 0 0 "[ . 1 . 2]" 1
52 1 48 PHE HA 1 48 PHE QD 4.000 . 6.000 2.299 2.003 2.609 . 0 0 "[ . 1 . 2]" 1
53 1 48 PHE HA 1 49 THR MG 5.000 . 6.000 3.726 3.420 5.042 . 0 0 "[ . 1 . 2]" 1
54 1 48 PHE QB 1 54 CYS HA 4.000 . 4.900 3.275 2.914 3.632 . 0 0 "[ . 1 . 2]" 1
55 1 48 PHE QB 1 53 GLU QB 4.000 . 5.800 3.240 2.733 3.584 . 0 0 "[ . 1 . 2]" 1
56 1 48 PHE QD 1 54 CYS HA 4.000 . 6.000 3.078 2.860 3.521 . 0 0 "[ . 1 . 2]" 1
57 1 48 PHE QD 1 54 CYS QB 4.000 . 6.900 3.375 2.404 3.805 . 0 0 "[ . 1 . 2]" 1
58 1 48 PHE QD 1 53 GLU QB 4.000 . 6.900 2.827 2.170 3.632 . 0 0 "[ . 1 . 2]" 1
59 1 48 PHE QD 1 53 GLU QG 4.000 . 6.900 3.388 2.065 4.396 . 0 0 "[ . 1 . 2]" 1
60 1 48 PHE HZ 1 57 ALA MB 4.000 . 5.000 2.440 1.893 3.232 . 0 0 "[ . 1 . 2]" 1
61 1 48 PHE HZ 1 54 CYS HA 5.000 . 5.000 3.853 3.321 4.358 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLY QA 1 5 PRO QD 3.000 . 4.800 2.013 1.944 2.202 . 0 0 "[ . 1 . 2]" 1
63 1 42 GLY QA 1 43 GLY QA 5.000 . 6.800 3.707 3.596 3.832 . 0 0 "[ . 1 . 2]" 1
64 1 30 ILE HA 1 30 ILE HB 3.000 . 3.000 2.508 2.467 3.024 0.024 2 0 "[ . 1 . 2]" 1
65 1 30 ILE MD 1 32 LYS QG 5.000 . 6.900 2.373 1.733 3.352 0.067 19 0 "[ . 1 . 2]" 1
66 1 30 ILE MD 1 34 ARG QB 5.000 . 6.900 3.624 2.625 4.326 . 0 0 "[ . 1 . 2]" 1
67 1 30 ILE MD 1 34 ARG QG 4.000 . 5.900 2.444 1.865 3.994 . 0 0 "[ . 1 . 2]" 1
68 1 37 LYS HA 1 38 TYR QB 5.000 . 5.900 4.127 4.013 4.212 . 0 0 "[ . 1 . 2]" 1
69 1 51 LYS HA 1 54 CYS QB 3.000 . 3.900 2.491 2.148 3.447 . 0 0 "[ . 1 . 2]" 1
70 1 51 LYS HA 1 51 LYS QE 5.000 . 5.900 4.302 3.481 4.614 . 0 0 "[ . 1 . 2]" 1
71 1 51 LYS QG 1 55 LEU HG 4.000 . 4.900 3.572 2.655 4.425 . 0 0 "[ . 1 . 2]" 1
72 1 51 LYS QG 1 52 GLN HA 5.000 . 5.900 4.254 3.791 4.988 . 0 0 "[ . 1 . 2]" 1
73 1 59 LYS HA 1 59 LYS QD 4.000 . 4.900 3.071 2.058 3.977 . 0 0 "[ . 1 . 2]" 1
74 1 16 LEU HA 1 16 LEU QD 4.000 . 6.600 2.345 2.005 2.927 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU QD 1 42 GLY QA 5.000 . 8.500 3.398 1.883 4.822 . 0 0 "[ . 1 . 2]" 1
76 1 55 LEU HA 1 59 LYS HA 5.000 . 5.000 4.831 4.435 5.028 0.028 1 0 "[ . 1 . 2]" 1
77 1 55 LEU HA 1 59 LYS QB 4.000 . 4.900 2.493 1.872 3.903 . 0 0 "[ . 1 . 2]" 1
78 1 55 LEU HA 1 55 LEU QD 4.000 . 6.600 2.132 1.852 2.533 . 0 0 "[ . 1 . 2]" 1
79 1 55 LEU QD 1 59 LYS QB 4.000 . 7.500 2.461 1.882 3.853 . 0 0 "[ . 1 . 2]" 1
80 1 55 LEU QD 1 59 LYS QD 5.000 . 8.500 2.381 1.764 4.396 0.036 10 0 "[ . 1 . 2]" 1
81 1 9 LEU HA 1 9 LEU HG 4.000 . 4.000 2.804 2.291 3.552 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU HA 1 28 SER HA 5.000 . 5.000 4.722 3.972 5.045 0.045 17 0 "[ . 1 . 2]" 1
83 1 9 LEU HA 1 28 SER QB 4.000 . 4.900 3.202 2.202 3.978 . 0 0 "[ . 1 . 2]" 1
84 1 9 LEU QD 1 28 SER HA 5.000 . 7.600 3.567 2.649 5.259 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU QD 1 28 SER QB 4.000 . 7.500 2.349 1.779 3.780 0.021 1 0 "[ . 1 . 2]" 1
86 1 9 LEU QD 1 26 TYR QD 5.000 . 9.600 3.833 2.542 5.295 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU QD 1 26 TYR QE 5.000 . 9.600 3.434 2.019 5.170 . 0 0 "[ . 1 . 2]" 1
88 1 20 ASN QB 1 37 LYS QB 5.000 . 6.800 4.415 1.982 5.331 . 0 0 "[ . 1 . 2]" 1
89 1 20 ASN QB 1 37 LYS QD 5.000 . 6.800 3.456 2.138 4.565 . 0 0 "[ . 1 . 2]" 1
90 1 27 ASN QB 1 30 ILE MD 5.000 . 6.900 2.663 2.263 2.863 . 0 0 "[ . 1 . 2]" 1
91 1 27 ASN QB 1 30 ILE QG 4.000 . 5.800 1.888 1.787 2.267 0.013 17 0 "[ . 1 . 2]" 1
92 1 44 ASN QB 1 45 GLU QB 5.000 . 6.800 4.246 3.882 4.542 . 0 0 "[ . 1 . 2]" 1
93 1 11 PRO HA 1 12 ALA MB 5.000 . 6.000 3.974 3.636 4.177 . 0 0 "[ . 1 . 2]" 1
94 1 11 PRO HA 1 11 PRO QD 4.000 . 4.900 3.427 3.384 3.501 . 0 0 "[ . 1 . 2]" 1
95 1 11 PRO HA 1 25 TYR QD 4.000 . 6.000 4.872 4.047 5.420 . 0 0 "[ . 1 . 2]" 1
96 1 11 PRO HA 1 25 TYR QE 4.000 . 6.000 3.119 2.459 3.795 . 0 0 "[ . 1 . 2]" 1
97 1 11 PRO QB 1 12 ALA MB 5.000 . 6.900 4.049 3.733 4.377 . 0 0 "[ . 1 . 2]" 1
98 1 35 PRO HA 1 36 PHE QD 4.000 . 6.000 3.228 2.835 3.594 . 0 0 "[ . 1 . 2]" 1
99 1 5 PRO QB 1 7 TRP HD1 5.000 . 5.900 2.533 1.987 3.311 . 0 0 "[ . 1 . 2]" 1
100 1 5 PRO QB 1 7 TRP HZ2 5.000 . 5.900 4.047 3.406 4.804 . 0 0 "[ . 1 . 2]" 1
101 1 5 PRO QG 1 7 TRP HZ2 4.000 . 4.900 3.834 3.005 4.421 . 0 0 "[ . 1 . 2]" 1
102 1 52 GLN HA 1 55 LEU QB 4.000 . 4.900 3.320 2.763 3.696 . 0 0 "[ . 1 . 2]" 1
103 1 52 GLN HA 1 55 LEU QD 4.000 . 6.600 3.578 2.792 4.506 . 0 0 "[ . 1 . 2]" 1
104 1 14 ARG HA 1 36 PHE QD 4.000 . 6.000 3.993 3.231 4.402 . 0 0 "[ . 1 . 2]" 1
105 1 14 ARG HA 1 36 PHE QE 4.000 . 6.000 3.222 2.684 3.714 . 0 0 "[ . 1 . 2]" 1
106 1 14 ARG HA 1 39 SER H 4.000 . 4.000 3.133 2.097 3.998 . 0 0 "[ . 1 . 2]" 1
107 1 14 ARG HA 1 38 TYR QD 4.000 . 6.000 3.420 2.371 4.711 . 0 0 "[ . 1 . 2]" 1
108 1 14 ARG QG 1 39 SER QB 5.000 . 6.800 4.585 3.440 5.370 . 0 0 "[ . 1 . 2]" 1
109 1 23 ARG QB 1 36 PHE QE 4.000 . 6.900 2.238 2.088 2.462 . 0 0 "[ . 1 . 2]" 1
110 1 23 ARG QB 1 38 TYR QB 5.000 . 6.800 2.058 1.915 2.569 . 0 0 "[ . 1 . 2]" 1
111 1 23 ARG QD 1 49 THR HA 4.000 . 4.900 2.633 1.956 3.158 . 0 0 "[ . 1 . 2]" 1
112 1 23 ARG QD 1 49 THR MG 5.000 . 6.900 4.051 2.576 4.951 . 0 0 "[ . 1 . 2]" 1
113 1 23 ARG QG 1 38 TYR QB 5.000 . 6.800 2.024 1.845 2.423 . 0 0 "[ . 1 . 2]" 1
114 1 23 ARG QG 1 38 TYR QD 5.000 . 7.900 2.633 2.348 3.141 . 0 0 "[ . 1 . 2]" 1
115 1 34 ARG HA 1 35 PRO QB 5.000 . 5.900 4.786 4.775 4.792 . 0 0 "[ . 1 . 2]" 1
116 1 34 ARG HA 1 35 PRO QD 3.000 . 3.900 1.964 1.920 1.983 . 0 0 "[ . 1 . 2]" 1
117 1 34 ARG HA 1 34 ARG QD 4.000 . 4.900 3.167 1.976 3.964 . 0 0 "[ . 1 . 2]" 1
118 1 34 ARG QD 1 35 PRO QD 4.000 . 5.800 3.435 2.396 4.602 . 0 0 "[ . 1 . 2]" 1
119 1 56 ARG HA 1 56 ARG QD 4.000 . 4.900 3.833 2.632 4.142 . 0 0 "[ . 1 . 2]" 1
120 1 56 ARG QB 1 57 ALA HA 5.000 . 5.900 4.191 4.000 4.368 . 0 0 "[ . 1 . 2]" 1
121 1 50 SER QB 1 51 LYS QB 5.000 . 6.800 4.218 3.824 4.745 . 0 0 "[ . 1 . 2]" 1
122 1 10 THR HA 1 11 PRO QD 3.000 . 3.900 2.005 1.918 2.050 . 0 0 "[ . 1 . 2]" 1
123 1 10 THR HA 1 11 PRO QG 4.000 . 4.900 3.953 3.867 3.992 . 0 0 "[ . 1 . 2]" 1
124 1 10 THR HA 1 10 THR HB 3.000 . 3.000 2.495 2.455 3.003 0.003 9 0 "[ . 1 . 2]" 1
125 1 10 THR HB 1 46 ASN QB 5.000 . 5.900 4.896 3.356 5.329 . 0 0 "[ . 1 . 2]" 1
126 1 10 THR HB 1 11 PRO QD 4.000 . 4.900 3.509 3.455 3.881 . 0 0 "[ . 1 . 2]" 1
127 1 10 THR MG 1 44 ASN QB 5.000 . 6.900 3.205 2.453 3.930 . 0 0 "[ . 1 . 2]" 1
128 1 10 THR MG 1 46 ASN QB 5.000 . 6.900 2.755 1.966 4.324 . 0 0 "[ . 1 . 2]" 1
129 1 10 THR MG 1 11 PRO QD 4.000 . 5.900 3.529 1.851 3.977 . 0 0 "[ . 1 . 2]" 1
130 1 49 THR HA 1 49 THR HB 3.000 . 3.000 2.508 2.451 2.965 . 0 0 "[ . 1 . 2]" 1
131 1 29 VAL HB 1 30 ILE MG 5.000 . 6.000 2.877 2.641 5.069 . 0 0 "[ . 1 . 2]" 1
132 1 29 VAL QG 1 30 ILE HA 5.000 . 7.600 3.548 3.362 3.637 . 0 0 "[ . 1 . 2]" 1
133 1 7 TRP QB 1 45 GLU QB 5.000 . 6.800 3.455 2.609 4.351 . 0 0 "[ . 1 . 2]" 1
134 1 7 TRP HE3 1 8 CYS HA 4.000 . 4.000 3.573 2.545 3.858 . 0 0 "[ . 1 . 2]" 1
135 1 7 TRP HE3 1 45 GLU QB 5.000 . 5.900 4.469 3.013 5.147 . 0 0 "[ . 1 . 2]" 1
136 1 7 TRP HE3 1 48 PHE HZ 5.000 . 5.000 4.310 3.857 4.782 . 0 0 "[ . 1 . 2]" 1
137 1 7 TRP HE3 1 46 ASN HA 5.000 . 5.000 2.851 2.294 3.417 . 0 0 "[ . 1 . 2]" 1
138 1 7 TRP HE3 1 46 ASN QB 4.000 . 4.900 2.533 1.870 3.301 . 0 0 "[ . 1 . 2]" 1
139 1 7 TRP HZ3 1 57 ALA MB 5.000 . 6.000 3.616 2.805 4.431 . 0 0 "[ . 1 . 2]" 1
140 1 7 TRP HZ3 1 48 PHE HZ 4.000 . 4.000 2.463 2.017 3.203 . 0 0 "[ . 1 . 2]" 1
141 1 7 TRP HZ3 1 46 ASN HA 5.000 . 5.000 3.336 2.409 4.276 . 0 0 "[ . 1 . 2]" 1
142 1 7 TRP HZ3 1 46 ASN QB 5.000 . 5.900 4.131 2.877 5.106 . 0 0 "[ . 1 . 2]" 1
143 1 25 TYR HA 1 36 PHE QE 4.000 . 6.000 3.150 2.854 3.415 . 0 0 "[ . 1 . 2]" 1
144 1 25 TYR HA 1 48 PHE QD 4.000 . 6.000 3.719 3.464 4.021 . 0 0 "[ . 1 . 2]" 1
145 1 25 TYR HA 1 25 TYR QD 4.000 . 6.000 2.418 2.202 2.850 . 0 0 "[ . 1 . 2]" 1
146 1 25 TYR QD 1 27 ASN HA 5.000 . 7.000 4.287 3.575 4.509 . 0 0 "[ . 1 . 2]" 1
147 1 25 TYR QD 1 34 ARG QB 5.000 . 7.900 3.331 2.824 4.139 . 0 0 "[ . 1 . 2]" 1
148 1 25 TYR QE 1 36 PHE QB 4.000 . 6.900 5.332 5.107 5.623 . 0 0 "[ . 1 . 2]" 1
149 1 25 TYR QE 1 27 ASN HA 4.000 . 6.000 3.313 2.407 3.746 . 0 0 "[ . 1 . 2]" 1
150 1 25 TYR QE 1 27 ASN QB 4.000 . 6.900 4.428 3.763 5.170 . 0 0 "[ . 1 . 2]" 1
151 1 25 TYR QE 1 34 ARG QB 4.000 . 6.900 4.608 3.894 5.091 . 0 0 "[ . 1 . 2]" 1
152 1 26 TYR HA 1 33 CYS HA 3.000 . 3.000 2.207 2.050 2.352 . 0 0 "[ . 1 . 2]" 1
153 1 26 TYR HA 1 33 CYS QB 5.000 . 5.900 3.600 3.279 3.994 . 0 0 "[ . 1 . 2]" 1
154 1 26 TYR HA 1 58 CYS QB 5.000 . 5.900 5.280 5.107 5.441 . 0 0 "[ . 1 . 2]" 1
155 1 26 TYR HA 1 27 ASN QB 5.000 . 5.900 4.079 3.978 4.301 . 0 0 "[ . 1 . 2]" 1
156 1 26 TYR HA 1 26 TYR QD 4.000 . 6.000 2.772 2.324 3.036 . 0 0 "[ . 1 . 2]" 1
157 1 26 TYR HA 1 26 TYR QE 4.000 . 6.000 4.550 4.364 4.701 . 0 0 "[ . 1 . 2]" 1
158 1 26 TYR QB 1 33 CYS HA 5.000 . 5.900 4.200 4.040 4.406 . 0 0 "[ . 1 . 2]" 1
159 1 26 TYR QB 1 58 CYS QB 4.000 . 5.800 3.490 3.267 3.934 . 0 0 "[ . 1 . 2]" 1
160 1 26 TYR QB 1 26 TYR QE 4.000 . 6.900 3.965 3.961 3.976 . 0 0 "[ . 1 . 2]" 1
161 1 26 TYR QD 1 33 CYS HA 4.000 . 6.000 4.057 3.330 4.582 . 0 0 "[ . 1 . 2]" 1
162 1 26 TYR QD 1 58 CYS QB 4.000 . 6.900 3.055 2.449 3.392 . 0 0 "[ . 1 . 2]" 1
163 1 26 TYR QD 1 55 LEU QD 5.000 . 9.600 3.833 2.921 5.122 . 0 0 "[ . 1 . 2]" 1
164 1 26 TYR QD 1 28 SER QB 4.000 . 6.900 3.963 3.471 4.675 . 0 0 "[ . 1 . 2]" 1
165 1 26 TYR QE 1 58 CYS QB 4.000 . 6.900 2.995 2.477 3.505 . 0 0 "[ . 1 . 2]" 1
166 1 26 TYR QE 1 59 LYS QB 5.000 . 7.900 3.341 2.261 5.604 . 0 0 "[ . 1 . 2]" 1
167 1 26 TYR QE 1 59 LYS QD 5.000 . 7.900 3.636 2.279 5.622 . 0 0 "[ . 1 . 2]" 1
168 1 26 TYR QE 1 59 LYS QG 5.000 . 7.900 4.261 2.894 5.131 . 0 0 "[ . 1 . 2]" 1
169 1 26 TYR QE 1 55 LEU QD 5.000 . 9.600 3.109 1.937 4.337 . 0 0 "[ . 1 . 2]" 1
170 1 26 TYR QE 1 28 SER HA 3.000 . 5.000 2.893 2.301 3.634 . 0 0 "[ . 1 . 2]" 1
171 1 26 TYR QE 1 28 SER QB 4.000 . 6.900 3.957 3.399 4.475 . 0 0 "[ . 1 . 2]" 1
172 1 38 TYR QE 1 43 GLY QA 4.000 . 6.900 2.853 1.951 5.221 . 0 0 "[ . 1 . 2]" 1
173 1 12 ALA HA 1 13 ASP H 3.000 . 3.000 2.248 2.201 2.322 . 0 0 "[ . 1 . 2]" 1
174 1 12 ALA MB 1 13 ASP H 5.000 . 6.000 3.434 2.979 3.629 . 0 0 "[ . 1 . 2]" 1
175 1 12 ALA MB 1 14 ARG H 5.000 . 6.000 4.547 3.580 4.858 . 0 0 "[ . 1 . 2]" 1
176 1 12 ALA MB 1 25 TYR H 5.000 . 6.000 4.751 4.445 4.967 . 0 0 "[ . 1 . 2]" 1
177 1 12 ALA H 1 13 ASP H 5.000 . 5.000 4.380 3.617 4.625 . 0 0 "[ . 1 . 2]" 1
178 1 12 ALA H 1 25 TYR QE 5.000 . 7.000 3.268 2.745 3.718 . 0 0 "[ . 1 . 2]" 1
179 1 19 ALA HA 1 20 ASN H 3.000 . 3.000 2.244 2.192 2.632 . 0 0 "[ . 1 . 2]" 1
180 1 19 ALA MB 1 20 ASN H 3.000 . 4.000 3.256 2.771 3.671 . 0 0 "[ . 1 . 2]" 1
181 1 19 ALA H 1 20 ASN H 5.000 . 5.000 4.204 3.494 4.539 . 0 0 "[ . 1 . 2]" 1
182 1 19 ALA H 1 39 SER QB 5.000 . 5.900 3.656 2.479 5.019 . 0 0 "[ . 1 . 2]" 1
183 1 57 ALA H 1 57 ALA HA 3.000 . 3.000 2.961 2.923 2.979 . 0 0 "[ . 1 . 2]" 1
184 1 57 ALA HA 1 58 CYS H 4.000 . 4.000 3.602 3.582 3.619 . 0 0 "[ . 1 . 2]" 1
185 1 57 ALA H 1 57 ALA MB 3.000 . 4.000 2.158 2.008 2.238 . 0 0 "[ . 1 . 2]" 1
186 1 57 ALA MB 1 58 CYS H 4.000 . 5.000 2.142 1.961 2.469 . 0 0 "[ . 1 . 2]" 1
187 1 57 ALA H 1 58 CYS QB 5.000 . 5.900 4.353 4.113 4.639 . 0 0 "[ . 1 . 2]" 1
188 1 57 ALA H 1 58 CYS H 3.000 . 3.000 2.609 2.368 2.791 . 0 0 "[ . 1 . 2]" 1
189 1 57 ALA H 1 59 LYS H 5.000 . 5.000 3.719 3.437 4.016 . 0 0 "[ . 1 . 2]" 1
190 1 17 CYS QB 1 19 ALA H 5.000 . 5.900 4.207 2.586 5.161 . 0 0 "[ . 1 . 2]" 1
191 1 17 CYS QB 1 41 CYS H 5.000 . 5.900 3.251 1.835 5.265 . 0 0 "[ . 1 . 2]" 1
192 1 17 CYS QB 1 18 ARG H 5.000 . 5.900 2.377 1.870 3.719 . 0 0 "[ . 1 . 2]" 1
193 1 17 CYS H 1 41 CYS H 5.000 . 5.000 4.304 2.979 5.177 0.177 5 0 "[ . 1 . 2]" 1
194 1 17 CYS H 1 39 SER QB 5.000 . 5.900 2.982 2.023 4.506 . 0 0 "[ . 1 . 2]" 1
195 1 33 CYS HA 1 34 ARG H 3.000 . 3.000 2.229 2.203 2.262 . 0 0 "[ . 1 . 2]" 1
196 1 33 CYS QB 1 34 ARG H 4.000 . 4.900 3.712 3.428 3.953 . 0 0 "[ . 1 . 2]" 1
197 1 33 CYS H 1 51 LYS QG 4.000 . 4.900 3.750 2.853 4.366 . 0 0 "[ . 1 . 2]" 1
198 1 33 CYS H 1 55 LEU QD 5.000 . 7.600 3.532 2.704 4.567 . 0 0 "[ . 1 . 2]" 1
199 1 41 CYS HA 1 42 GLY H 4.000 . 4.000 2.676 2.180 3.587 . 0 0 "[ . 1 . 2]" 1
200 1 41 CYS QB 1 42 GLY H 5.000 . 5.900 2.955 1.911 3.926 . 0 0 "[ . 1 . 2]" 1
201 1 54 CYS HA 1 58 CYS H 5.000 . 5.000 3.945 3.691 4.204 . 0 0 "[ . 1 . 2]" 1
202 1 54 CYS H 1 54 CYS QB 3.000 . 3.900 2.156 2.060 2.260 . 0 0 "[ . 1 . 2]" 1
203 1 54 CYS QB 1 55 LEU H 4.000 . 4.900 2.476 2.242 3.452 . 0 0 "[ . 1 . 2]" 1
204 1 54 CYS H 1 55 LEU QB 5.000 . 5.900 4.506 4.257 4.716 . 0 0 "[ . 1 . 2]" 1
205 1 54 CYS H 1 55 LEU H 3.000 . 3.000 2.740 2.548 2.839 . 0 0 "[ . 1 . 2]" 1
206 1 54 CYS H 1 56 ARG H 5.000 . 5.000 4.286 4.075 4.599 . 0 0 "[ . 1 . 2]" 1
207 1 58 CYS HA 1 59 LYS H 4.000 . 4.000 3.581 3.552 3.607 . 0 0 "[ . 1 . 2]" 1
208 1 58 CYS HA 1 60 LYS H 5.000 . 5.000 4.464 3.749 4.977 . 0 0 "[ . 1 . 2]" 1
209 1 58 CYS QB 1 59 LYS H 5.000 . 5.900 2.574 2.192 2.873 . 0 0 "[ . 1 . 2]" 1
210 1 58 CYS H 1 59 LYS QB 5.000 . 5.900 4.313 4.142 4.668 . 0 0 "[ . 1 . 2]" 1
211 1 58 CYS H 1 59 LYS H 3.000 . 3.000 2.571 2.403 2.783 . 0 0 "[ . 1 . 2]" 1
212 1 8 CYS H 1 8 CYS HA 3.000 . 3.000 2.985 2.935 3.007 0.007 4 0 "[ . 1 . 2]" 1
213 1 8 CYS QB 1 9 LEU H 5.000 . 5.900 2.821 2.353 4.050 . 0 0 "[ . 1 . 2]" 1
214 1 8 CYS H 1 9 LEU QD 5.000 . 7.600 3.981 2.913 4.692 . 0 0 "[ . 1 . 2]" 1
215 1 8 CYS H 1 9 LEU HG 5.000 . 5.000 4.163 3.276 4.661 . 0 0 "[ . 1 . 2]" 1
216 1 8 CYS H 1 46 ASN QB 5.000 . 5.900 4.981 4.625 5.148 . 0 0 "[ . 1 . 2]" 1
217 1 13 ASP HA 1 15 GLY H 5.000 . 5.000 4.196 3.600 4.771 . 0 0 "[ . 1 . 2]" 1
218 1 13 ASP HA 1 14 ARG H 3.000 . 3.000 2.234 2.190 2.441 . 0 0 "[ . 1 . 2]" 1
219 1 13 ASP QB 1 15 GLY H 5.000 . 5.900 4.253 3.394 4.873 . 0 0 "[ . 1 . 2]" 1
220 1 13 ASP QB 1 43 GLY H 5.000 . 5.900 4.704 3.223 5.278 . 0 0 "[ . 1 . 2]" 1
221 1 13 ASP QB 1 44 ASN QD 5.000 . 6.800 3.800 2.186 5.194 . 0 0 "[ . 1 . 2]" 1
222 1 13 ASP QB 1 44 ASN H 5.000 . 5.900 2.201 1.961 2.786 . 0 0 "[ . 1 . 2]" 1
223 1 13 ASP QB 1 46 ASN H 5.000 . 5.900 5.132 4.731 5.375 . 0 0 "[ . 1 . 2]" 1
224 1 13 ASP QB 1 47 ASN QD 3.000 . 4.800 3.384 2.870 3.746 . 0 0 "[ . 1 . 2]" 1
225 1 13 ASP QB 1 14 ARG H 5.000 . 5.900 3.781 3.512 4.032 . 0 0 "[ . 1 . 2]" 1
226 1 13 ASP H 1 36 PHE QE 5.000 . 7.000 4.310 3.625 5.478 . 0 0 "[ . 1 . 2]" 1
227 1 13 ASP H 1 14 ARG H 5.000 . 5.000 4.415 3.950 4.541 . 0 0 "[ . 1 . 2]" 1
228 1 21 GLU H 1 21 GLU HA 3.000 . 3.000 2.949 2.903 2.966 . 0 0 "[ . 1 . 2]" 1
229 1 21 GLU HA 1 22 ASN H 3.000 . 3.000 2.775 2.236 3.092 0.092 11 0 "[ . 1 . 2]" 1
230 1 21 GLU QB 1 22 ASN H 5.000 . 5.900 2.074 1.885 3.305 . 0 0 "[ . 1 . 2]" 1
231 1 21 GLU QB 1 38 TYR H 5.000 . 5.900 2.734 2.046 3.420 . 0 0 "[ . 1 . 2]" 1
232 1 21 GLU H 1 21 GLU QG 4.000 . 4.900 2.791 1.987 3.598 . 0 0 "[ . 1 . 2]" 1
233 1 21 GLU QG 1 22 ASN H 5.000 . 5.900 3.632 2.877 4.066 . 0 0 "[ . 1 . 2]" 1
234 1 21 GLU QG 1 38 TYR H 5.000 . 5.900 4.675 3.890 5.198 . 0 0 "[ . 1 . 2]" 1
235 1 21 GLU H 1 37 LYS HA 5.000 . 5.000 3.769 3.191 4.315 . 0 0 "[ . 1 . 2]" 1
236 1 21 GLU H 1 37 LYS QB 5.000 . 5.900 4.035 3.167 4.937 . 0 0 "[ . 1 . 2]" 1
237 1 21 GLU H 1 37 LYS QG 4.000 . 4.900 3.550 3.027 4.328 . 0 0 "[ . 1 . 2]" 1
238 1 21 GLU H 1 38 TYR QB 5.000 . 5.900 3.989 3.570 4.382 . 0 0 "[ . 1 . 2]" 1
239 1 21 GLU H 1 38 TYR QD 5.000 . 7.000 5.184 4.418 5.654 . 0 0 "[ . 1 . 2]" 1
240 1 21 GLU H 1 38 TYR H 4.000 . 4.000 3.538 2.993 3.940 . 0 0 "[ . 1 . 2]" 1
241 1 45 GLU HA 1 46 ASN H 4.000 . 4.000 3.000 2.576 3.242 . 0 0 "[ . 1 . 2]" 1
242 1 45 GLU HA 1 47 ASN H 5.000 . 5.000 3.522 3.290 3.785 . 0 0 "[ . 1 . 2]" 1
243 1 45 GLU QB 1 46 ASN H 5.000 . 5.900 3.753 3.515 4.060 . 0 0 "[ . 1 . 2]" 1
244 1 45 GLU H 1 46 ASN H 4.000 . 4.000 2.674 2.366 3.404 . 0 0 "[ . 1 . 2]" 1
245 1 53 GLU HA 1 57 ALA H 5.000 . 5.000 4.036 3.670 4.292 . 0 0 "[ . 1 . 2]" 1
246 1 53 GLU HA 1 54 CYS H 4.000 . 4.000 3.545 3.521 3.584 . 0 0 "[ . 1 . 2]" 1
247 1 53 GLU H 1 53 GLU HA 3.000 . 3.000 2.936 2.925 2.951 . 0 0 "[ . 1 . 2]" 1
248 1 53 GLU HA 1 55 LEU H 5.000 . 5.000 4.413 4.110 4.646 . 0 0 "[ . 1 . 2]" 1
249 1 53 GLU QB 1 54 CYS H 4.000 . 4.900 2.628 2.328 2.888 . 0 0 "[ . 1 . 2]" 1
250 1 53 GLU H 1 53 GLU QB 3.000 . 3.900 2.140 1.997 2.274 . 0 0 "[ . 1 . 2]" 1
251 1 53 GLU QG 1 54 CYS H 5.000 . 5.900 4.158 3.885 4.650 . 0 0 "[ . 1 . 2]" 1
252 1 53 GLU H 1 53 GLU QG 4.000 . 4.900 3.687 2.295 4.031 . 0 0 "[ . 1 . 2]" 1
253 1 53 GLU H 1 54 CYS H 3.000 . 3.000 2.414 2.338 2.554 . 0 0 "[ . 1 . 2]" 1
254 1 53 GLU H 1 55 LEU H 5.000 . 5.000 4.150 3.914 4.422 . 0 0 "[ . 1 . 2]" 1
255 1 53 GLU H 1 56 ARG QB 5.000 . 5.900 4.599 4.424 4.877 . 0 0 "[ . 1 . 2]" 1
256 1 2 PHE QD 1 4 GLY H 5.000 . 7.000 5.117 3.133 6.369 . 0 0 "[ . 1 . 2]" 1
257 1 24 PHE HA 1 36 PHE H 4.000 . 4.000 3.400 3.187 3.584 . 0 0 "[ . 1 . 2]" 1
258 1 24 PHE HA 1 25 TYR H 3.000 . 3.000 2.227 2.191 2.252 . 0 0 "[ . 1 . 2]" 1
259 1 24 PHE QB 1 25 TYR H 5.000 . 5.900 3.671 3.572 3.757 . 0 0 "[ . 1 . 2]" 1
260 1 24 PHE QD 1 33 CYS H 5.000 . 7.000 4.615 4.112 5.403 . 0 0 "[ . 1 . 2]" 1
261 1 24 PHE H 1 24 PHE QD 5.000 . 7.000 2.709 2.191 3.203 . 0 0 "[ . 1 . 2]" 1
262 1 24 PHE QD 1 36 PHE H 5.000 . 7.000 5.130 4.654 5.436 . 0 0 "[ . 1 . 2]" 1
263 1 24 PHE QD 1 48 PHE H 5.000 . 7.000 5.663 5.273 5.986 . 0 0 "[ . 1 . 2]" 1
264 1 24 PHE QD 1 51 LYS H 5.000 . 7.000 4.461 3.591 5.201 . 0 0 "[ . 1 . 2]" 1
265 1 24 PHE QD 1 34 ARG H 5.000 . 7.000 4.844 4.273 5.599 . 0 0 "[ . 1 . 2]" 1
266 1 24 PHE QD 1 50 SER H 5.000 . 7.000 4.180 2.459 5.296 . 0 0 "[ . 1 . 2]" 1
267 1 24 PHE QD 1 25 TYR H 5.000 . 7.000 4.296 3.860 4.632 . 0 0 "[ . 1 . 2]" 1
268 1 24 PHE QE 1 51 LYS H 4.000 . 6.000 4.264 3.219 5.068 . 0 0 "[ . 1 . 2]" 1
269 1 24 PHE H 1 36 PHE QD 5.000 . 7.000 4.586 4.336 4.816 . 0 0 "[ . 1 . 2]" 1
270 1 24 PHE H 1 36 PHE QE 5.000 . 7.000 3.723 3.286 4.001 . 0 0 "[ . 1 . 2]" 1
271 1 24 PHE H 1 48 PHE HA 5.000 . 5.000 4.872 4.528 5.048 0.048 2 0 "[ . 1 . 2]" 1
272 1 24 PHE H 1 48 PHE QD 5.000 . 7.000 4.944 4.493 5.295 . 0 0 "[ . 1 . 2]" 1
273 1 24 PHE H 1 48 PHE H 4.000 . 4.000 3.573 3.172 3.834 . 0 0 "[ . 1 . 2]" 1
274 1 24 PHE H 1 47 ASN HA 5.000 . 5.000 4.869 4.653 5.026 0.026 6 0 "[ . 1 . 2]" 1
275 1 24 PHE H 1 35 PRO HA 5.000 . 5.000 4.376 4.298 4.488 . 0 0 "[ . 1 . 2]" 1
276 1 24 PHE H 1 49 THR HA 5.000 . 5.000 3.831 3.276 4.481 . 0 0 "[ . 1 . 2]" 1
277 1 36 PHE HA 1 37 LYS H 3.000 . 3.000 2.457 2.273 2.702 . 0 0 "[ . 1 . 2]" 1
278 1 36 PHE QB 1 37 LYS H 3.000 . 3.900 2.683 2.283 3.123 . 0 0 "[ . 1 . 2]" 1
279 1 36 PHE H 1 36 PHE QD 3.000 . 5.000 2.019 1.956 2.230 . 0 0 "[ . 1 . 2]" 1
280 1 36 PHE QD 1 37 LYS H 4.000 . 6.000 3.312 2.447 4.048 . 0 0 "[ . 1 . 2]" 1
281 1 36 PHE H 1 36 PHE QE 5.000 . 7.000 3.885 3.801 3.983 . 0 0 "[ . 1 . 2]" 1
282 1 36 PHE QE 1 48 PHE H 4.000 . 6.000 3.901 3.633 4.094 . 0 0 "[ . 1 . 2]" 1
283 1 36 PHE QE 1 39 SER H 5.000 . 7.000 4.072 3.583 4.610 . 0 0 "[ . 1 . 2]" 1
284 1 36 PHE QE 1 38 TYR H 5.000 . 7.000 4.249 3.597 4.877 . 0 0 "[ . 1 . 2]" 1
285 1 36 PHE H 1 37 LYS H 5.000 . 5.000 4.490 4.412 4.566 . 0 0 "[ . 1 . 2]" 1
286 1 48 PHE HA 1 50 SER H 4.000 . 4.000 3.874 3.665 4.058 0.058 5 0 "[ . 1 . 2]" 1
287 1 48 PHE HA 1 49 THR H 3.000 . 3.000 2.257 2.198 2.356 . 0 0 "[ . 1 . 2]" 1
288 1 48 PHE QB 1 54 CYS H 5.000 . 5.900 3.334 2.830 3.621 . 0 0 "[ . 1 . 2]" 1
289 1 48 PHE QB 1 53 GLU H 5.000 . 5.900 4.747 4.119 5.002 . 0 0 "[ . 1 . 2]" 1
290 1 48 PHE QB 1 50 SER H 4.000 . 4.900 2.910 2.419 3.299 . 0 0 "[ . 1 . 2]" 1
291 1 48 PHE QB 1 49 THR H 5.000 . 5.900 3.135 2.671 3.607 . 0 0 "[ . 1 . 2]" 1
292 1 48 PHE QD 1 54 CYS H 5.000 . 7.000 4.082 3.618 4.564 . 0 0 "[ . 1 . 2]" 1
293 1 48 PHE H 1 48 PHE QD 3.000 . 5.000 2.883 2.560 3.194 . 0 0 "[ . 1 . 2]" 1
294 1 48 PHE QD 1 50 SER H 5.000 . 7.000 4.413 4.033 4.681 . 0 0 "[ . 1 . 2]" 1
295 1 48 PHE QD 1 49 THR H 5.000 . 7.000 3.657 3.371 3.987 . 0 0 "[ . 1 . 2]" 1
296 1 48 PHE H 1 48 PHE QE 5.000 . 7.000 4.642 4.420 4.860 . 0 0 "[ . 1 . 2]" 1
297 1 48 PHE H 1 49 THR H 5.000 . 5.000 4.575 4.369 4.646 . 0 0 "[ . 1 . 2]" 1
298 1 15 GLY QA 1 17 CYS H 5.000 . 5.900 4.258 3.028 5.356 . 0 0 "[ . 1 . 2]" 1
299 1 15 GLY QA 1 16 LEU H 5.000 . 5.900 2.240 2.127 2.592 . 0 0 "[ . 1 . 2]" 1
300 1 15 GLY H 1 43 GLY QA 5.000 . 5.900 4.575 3.507 5.303 . 0 0 "[ . 1 . 2]" 1
301 1 15 GLY H 1 16 LEU QD 5.000 . 7.600 4.233 2.534 5.124 . 0 0 "[ . 1 . 2]" 1
302 1 15 GLY H 1 16 LEU HG 5.000 . 5.000 4.782 4.371 5.028 0.028 2 0 "[ . 1 . 2]" 1
303 1 31 GLY QA 1 32 LYS H 4.000 . 4.900 2.760 2.699 2.864 . 0 0 "[ . 1 . 2]" 1
304 1 31 GLY H 1 32 LYS QG 5.000 . 5.900 4.510 3.737 5.418 . 0 0 "[ . 1 . 2]" 1
305 1 31 GLY H 1 32 LYS H 3.000 . 3.000 2.942 2.670 3.053 0.053 8 0 "[ . 1 . 2]" 1
306 1 40 GLY QA 1 41 CYS H 5.000 . 5.900 2.626 2.114 2.988 . 0 0 "[ . 1 . 2]" 1
307 1 42 GLY QA 1 43 GLY H 3.000 . 3.900 2.288 2.149 2.828 . 0 0 "[ . 1 . 2]" 1
308 1 42 GLY H 1 43 GLY H 5.000 . 5.000 4.017 2.605 4.600 . 0 0 "[ . 1 . 2]" 1
309 1 43 GLY QA 1 44 ASN H 3.000 . 3.900 2.286 2.148 2.481 . 0 0 "[ . 1 . 2]" 1
310 1 43 GLY QA 1 47 ASN QD 5.000 . 6.800 3.838 2.698 5.058 . 0 0 "[ . 1 . 2]" 1
311 1 43 GLY H 1 44 ASN H 5.000 . 5.000 4.272 2.440 4.673 . 0 0 "[ . 1 . 2]" 1
312 1 3 HIS HA 1 4 GLY H 4.000 . 4.000 2.957 2.216 3.596 . 0 0 "[ . 1 . 2]" 1
313 1 3 HIS QB 1 4 GLY H 5.000 . 5.900 3.121 1.970 4.067 . 0 0 "[ . 1 . 2]" 1
314 1 30 ILE HA 1 31 GLY H 4.000 . 4.000 3.543 3.509 3.570 . 0 0 "[ . 1 . 2]" 1
315 1 30 ILE H 1 30 ILE HA 3.000 . 3.000 2.949 2.893 2.961 . 0 0 "[ . 1 . 2]" 1
316 1 30 ILE HB 1 31 GLY H 5.000 . 5.000 3.755 2.336 3.944 . 0 0 "[ . 1 . 2]" 1
317 1 30 ILE H 1 30 ILE HB 4.000 . 4.000 3.558 2.647 3.627 . 0 0 "[ . 1 . 2]" 1
318 1 30 ILE MD 1 31 GLY H 5.000 . 6.000 3.825 3.672 4.155 . 0 0 "[ . 1 . 2]" 1
319 1 30 ILE H 1 30 ILE MD 5.000 . 6.000 3.599 3.504 3.662 . 0 0 "[ . 1 . 2]" 1
320 1 30 ILE MD 1 32 LYS H 5.000 . 6.000 3.166 2.814 4.059 . 0 0 "[ . 1 . 2]" 1
321 1 30 ILE QG 1 31 GLY H 4.000 . 4.900 2.122 1.904 3.588 . 0 0 "[ . 1 . 2]" 1
322 1 30 ILE H 1 30 ILE QG 3.000 . 3.900 1.899 1.853 1.937 . 0 0 "[ . 1 . 2]" 1
323 1 30 ILE QG 1 32 LYS H 4.000 . 4.900 2.257 1.972 4.481 . 0 0 "[ . 1 . 2]" 1
324 1 30 ILE MG 1 31 GLY H 5.000 . 6.000 3.881 3.594 3.978 . 0 0 "[ . 1 . 2]" 1
325 1 30 ILE H 1 30 ILE MG 4.000 . 5.000 2.360 2.160 3.765 . 0 0 "[ . 1 . 2]" 1
326 1 30 ILE H 1 31 GLY QA 5.000 . 5.900 4.318 4.259 4.496 . 0 0 "[ . 1 . 2]" 1
327 1 30 ILE H 1 31 GLY H 3.000 . 3.000 2.362 2.291 2.585 . 0 0 "[ . 1 . 2]" 1
328 1 32 LYS HA 1 33 CYS H 3.000 . 3.000 2.335 2.220 2.489 . 0 0 "[ . 1 . 2]" 1
329 1 32 LYS H 1 32 LYS HA 3.000 . 3.000 2.891 2.836 2.963 . 0 0 "[ . 1 . 2]" 1
330 1 32 LYS QD 1 33 CYS H 3.000 . 3.900 3.060 1.963 3.548 . 0 0 "[ . 1 . 2]" 1
331 1 32 LYS QG 1 33 CYS H 5.000 . 5.900 3.983 3.101 4.503 . 0 0 "[ . 1 . 2]" 1
332 1 37 LYS HA 1 38 TYR H 3.000 . 3.000 2.274 2.176 2.384 . 0 0 "[ . 1 . 2]" 1
333 1 37 LYS H 1 37 LYS QB 3.000 . 3.900 2.050 1.965 2.210 . 0 0 "[ . 1 . 2]" 1
334 1 37 LYS QB 1 38 TYR H 5.000 . 5.900 3.833 3.652 3.966 . 0 0 "[ . 1 . 2]" 1
335 1 37 LYS H 1 37 LYS QG 4.000 . 4.900 3.297 2.791 3.887 . 0 0 "[ . 1 . 2]" 1
336 1 37 LYS QG 1 38 TYR H 5.000 . 5.900 3.958 3.550 4.281 . 0 0 "[ . 1 . 2]" 1
337 1 37 LYS H 1 38 TYR H 5.000 . 5.000 4.219 4.021 4.447 . 0 0 "[ . 1 . 2]" 1
338 1 51 LYS HA 1 54 CYS H 4.000 . 4.000 3.242 3.025 3.510 . 0 0 "[ . 1 . 2]" 1
339 1 51 LYS H 1 51 LYS HA 3.000 . 3.000 2.954 2.902 2.995 . 0 0 "[ . 1 . 2]" 1
340 1 51 LYS HA 1 55 LEU H 5.000 . 5.000 4.108 3.831 4.387 . 0 0 "[ . 1 . 2]" 1
341 1 51 LYS HA 1 52 GLN H 5.000 . 5.000 3.541 3.509 3.573 . 0 0 "[ . 1 . 2]" 1
342 1 51 LYS H 1 51 LYS QB 3.000 . 3.900 2.222 2.022 2.336 . 0 0 "[ . 1 . 2]" 1
343 1 51 LYS QB 1 52 GLN H 4.000 . 4.900 2.636 2.424 2.805 . 0 0 "[ . 1 . 2]" 1
344 1 51 LYS H 1 51 LYS QD 5.000 . 5.900 4.439 4.312 4.666 . 0 0 "[ . 1 . 2]" 1
345 1 51 LYS QD 1 52 GLN H 5.000 . 5.900 4.688 4.145 5.164 . 0 0 "[ . 1 . 2]" 1
346 1 51 LYS QG 1 54 CYS H 5.000 . 5.900 4.607 4.267 4.992 . 0 0 "[ . 1 . 2]" 1
347 1 51 LYS QG 1 55 LEU H 5.000 . 5.900 4.083 3.570 4.630 . 0 0 "[ . 1 . 2]" 1
348 1 51 LYS QG 1 52 GLN H 5.000 . 5.900 4.013 3.736 4.326 . 0 0 "[ . 1 . 2]" 1
349 1 51 LYS H 1 53 GLU H 5.000 . 5.000 3.954 3.570 4.264 . 0 0 "[ . 1 . 2]" 1
350 1 51 LYS H 1 52 GLN QB 5.000 . 5.900 4.040 3.756 4.374 . 0 0 "[ . 1 . 2]" 1
351 1 51 LYS H 1 52 GLN H 3.000 . 3.000 2.324 2.053 2.557 . 0 0 "[ . 1 . 2]" 1
352 1 59 LYS H 1 59 LYS HA 3.000 . 3.000 2.912 2.842 2.965 . 0 0 "[ . 1 . 2]" 1
353 1 59 LYS H 1 59 LYS QB 3.000 . 3.900 2.179 1.975 2.439 . 0 0 "[ . 1 . 2]" 1
354 1 59 LYS QB 1 60 LYS H 5.000 . 5.900 2.822 2.069 3.954 . 0 0 "[ . 1 . 2]" 1
355 1 59 LYS H 1 59 LYS QD 4.000 . 4.900 4.095 3.267 4.456 . 0 0 "[ . 1 . 2]" 1
356 1 59 LYS QG 1 61 GLY H 5.000 . 5.900 4.661 3.717 5.271 . 0 0 "[ . 1 . 2]" 1
357 1 59 LYS H 1 60 LYS H 5.000 . 5.000 2.775 2.319 3.431 . 0 0 "[ . 1 . 2]" 1
358 1 60 LYS HA 1 61 GLY H 3.000 . 3.000 2.591 2.202 3.025 0.025 17 0 "[ . 1 . 2]" 1
359 1 60 LYS H 1 60 LYS HA 3.000 . 3.000 2.588 2.360 2.986 . 0 0 "[ . 1 . 2]" 1
360 1 60 LYS QB 1 61 GLY H 5.000 . 5.900 3.830 3.383 4.044 . 0 0 "[ . 1 . 2]" 1
361 1 60 LYS QG 1 61 GLY H 5.000 . 5.900 4.268 3.695 4.545 . 0 0 "[ . 1 . 2]" 1
362 1 16 LEU HA 1 17 CYS H 5.000 . 5.000 3.283 2.210 3.595 . 0 0 "[ . 1 . 2]" 1
363 1 16 LEU QB 1 17 CYS H 5.000 . 5.900 2.761 1.892 3.947 . 0 0 "[ . 1 . 2]" 1
364 1 16 LEU QB 1 43 GLY H 5.000 . 5.900 4.771 4.044 5.336 . 0 0 "[ . 1 . 2]" 1
365 1 16 LEU QD 1 17 CYS H 5.000 . 7.600 3.871 2.950 4.630 . 0 0 "[ . 1 . 2]" 1
366 1 16 LEU QD 1 43 GLY H 5.000 . 7.600 3.539 2.112 4.877 . 0 0 "[ . 1 . 2]" 1
367 1 16 LEU H 1 17 CYS H 5.000 . 5.000 2.861 1.986 4.639 . 0 0 "[ . 1 . 2]" 1
368 1 55 LEU HA 1 57 ALA H 5.000 . 5.000 3.891 3.739 4.036 . 0 0 "[ . 1 . 2]" 1
369 1 55 LEU HA 1 58 CYS H 5.000 . 5.000 3.908 3.519 4.205 . 0 0 "[ . 1 . 2]" 1
370 1 55 LEU HA 1 59 LYS H 3.000 . 3.000 2.815 2.379 3.074 0.074 20 0 "[ . 1 . 2]" 1
371 1 55 LEU H 1 55 LEU HA 3.000 . 3.000 2.921 2.888 2.958 . 0 0 "[ . 1 . 2]" 1
372 1 55 LEU HA 1 56 ARG H 4.000 . 4.000 3.576 3.563 3.595 . 0 0 "[ . 1 . 2]" 1
373 1 55 LEU H 1 55 LEU QB 3.000 . 3.900 2.138 1.979 2.344 . 0 0 "[ . 1 . 2]" 1
374 1 55 LEU QB 1 56 ARG H 4.000 . 4.900 2.408 2.116 2.562 . 0 0 "[ . 1 . 2]" 1
375 1 55 LEU QD 1 59 LYS H 5.000 . 7.600 3.864 3.412 4.357 . 0 0 "[ . 1 . 2]" 1
376 1 55 LEU QD 1 56 ARG H 5.000 . 7.600 3.917 3.738 4.044 . 0 0 "[ . 1 . 2]" 1
377 1 55 LEU H 1 57 ALA H 5.000 . 5.000 3.821 3.708 3.959 . 0 0 "[ . 1 . 2]" 1
378 1 55 LEU H 1 56 ARG H 3.000 . 3.000 2.585 2.359 2.751 . 0 0 "[ . 1 . 2]" 1
379 1 9 LEU HA 1 28 SER H 5.000 . 5.000 4.750 3.894 5.003 0.003 18 0 "[ . 1 . 2]" 1
380 1 9 LEU QB 1 10 THR H 5.000 . 5.900 3.393 2.574 4.015 . 0 0 "[ . 1 . 2]" 1
381 1 9 LEU QD 1 10 THR H 5.000 . 7.600 4.214 3.707 4.498 . 0 0 "[ . 1 . 2]" 1
382 1 9 LEU H 1 9 LEU HG 3.000 . 3.000 2.607 1.970 3.062 0.062 20 0 "[ . 1 . 2]" 1
383 1 9 LEU HG 1 10 THR H 5.000 . 5.000 4.348 3.131 4.844 . 0 0 "[ . 1 . 2]" 1
384 1 9 LEU H 1 10 THR MG 5.000 . 6.000 3.815 3.215 5.061 . 0 0 "[ . 1 . 2]" 1
385 1 9 LEU H 1 10 THR H 3.000 . 3.000 2.414 1.927 2.720 . 0 0 "[ . 1 . 2]" 1
386 1 20 ASN HA 1 21 GLU H 3.000 . 3.000 2.535 2.348 3.076 0.076 4 0 "[ . 1 . 2]" 1
387 1 20 ASN H 1 20 ASN HA 3.000 . 3.000 2.956 2.942 2.961 . 0 0 "[ . 1 . 2]" 1
388 1 20 ASN QB 1 21 GLU H 5.000 . 5.900 3.923 3.700 4.031 . 0 0 "[ . 1 . 2]" 1
389 1 20 ASN H 1 21 GLU QG 5.000 . 5.900 4.395 3.534 5.152 . 0 0 "[ . 1 . 2]" 1
390 1 20 ASN H 1 21 GLU H 4.000 . 4.000 3.759 2.827 4.027 0.027 11 0 "[ . 1 . 2]" 1
391 1 22 ASN HA 1 36 PHE H 5.000 . 5.000 4.086 3.650 4.487 . 0 0 "[ . 1 . 2]" 1
392 1 22 ASN H 1 22 ASN QB 3.000 . 3.900 2.689 2.138 3.221 . 0 0 "[ . 1 . 2]" 1
393 1 22 ASN QB 1 23 ARG H 5.000 . 5.900 3.978 3.902 4.038 . 0 0 "[ . 1 . 2]" 1
394 1 22 ASN H 1 22 ASN QD 5.000 . 5.800 4.357 2.128 5.008 . 0 0 "[ . 1 . 2]" 1
395 1 22 ASN H 1 37 LYS HA 5.000 . 5.000 4.503 4.088 4.983 . 0 0 "[ . 1 . 2]" 1
396 1 22 ASN H 1 37 LYS QG 5.000 . 5.900 5.210 5.047 5.339 . 0 0 "[ . 1 . 2]" 1
397 1 22 ASN H 1 23 ARG H 5.000 . 5.000 3.284 2.864 3.908 . 0 0 "[ . 1 . 2]" 1
398 1 22 ASN H 1 38 TYR QD 5.000 . 7.000 5.242 4.581 5.955 . 0 0 "[ . 1 . 2]" 1
399 1 27 ASN QB 1 31 GLY H 5.000 . 5.900 2.412 1.985 2.863 . 0 0 "[ . 1 . 2]" 1
400 1 27 ASN QB 1 30 ILE H 5.000 . 5.900 2.646 2.089 2.887 . 0 0 "[ . 1 . 2]" 1
401 1 27 ASN QB 1 32 LYS H 5.000 . 5.900 3.770 3.397 4.190 . 0 0 "[ . 1 . 2]" 1
402 1 27 ASN H 1 27 ASN QB 3.000 . 3.900 2.085 1.966 2.199 . 0 0 "[ . 1 . 2]" 1
403 1 27 ASN QB 1 28 SER H 5.000 . 5.900 3.681 3.341 3.838 . 0 0 "[ . 1 . 2]" 1
404 1 27 ASN QD 1 30 ILE QG 5.000 . 6.800 2.993 2.173 3.771 . 0 0 "[ . 1 . 2]" 1
405 1 27 ASN QD 1 30 ILE H 5.000 . 5.800 3.782 2.369 4.628 . 0 0 "[ . 1 . 2]" 1
406 1 27 ASN QD 1 29 VAL HB 5.000 . 5.800 3.561 2.006 4.949 . 0 0 "[ . 1 . 2]" 1
407 1 27 ASN QD 1 29 VAL H 5.000 . 5.800 3.790 1.993 4.941 . 0 0 "[ . 1 . 2]" 1
408 1 27 ASN H 1 33 CYS HA 3.000 . 3.000 2.626 2.377 2.995 . 0 0 "[ . 1 . 2]" 1
409 1 27 ASN H 1 33 CYS QB 5.000 . 5.900 4.665 4.430 5.060 . 0 0 "[ . 1 . 2]" 1
410 1 27 ASN H 1 33 CYS H 5.000 . 5.000 4.752 4.576 4.996 . 0 0 "[ . 1 . 2]" 1
411 1 27 ASN H 1 31 GLY QA 5.000 . 5.900 4.575 3.980 5.097 . 0 0 "[ . 1 . 2]" 1
412 1 27 ASN H 1 30 ILE MD 5.000 . 6.000 4.374 3.797 4.722 . 0 0 "[ . 1 . 2]" 1
413 1 27 ASN H 1 30 ILE QG 5.000 . 5.900 4.057 3.657 5.090 . 0 0 "[ . 1 . 2]" 1
414 1 27 ASN H 1 32 LYS H 5.000 . 5.000 4.936 4.482 5.041 0.041 16 0 "[ . 1 . 2]" 1
415 1 27 ASN H 1 34 ARG QB 5.000 . 5.900 4.282 3.782 4.720 . 0 0 "[ . 1 . 2]" 1
416 1 27 ASN H 1 34 ARG QG 5.000 . 5.900 4.606 3.908 5.311 . 0 0 "[ . 1 . 2]" 1
417 1 27 ASN H 1 34 ARG H 5.000 . 5.000 3.178 2.785 3.479 . 0 0 "[ . 1 . 2]" 1
418 1 27 ASN H 1 28 SER H 5.000 . 5.000 4.523 4.451 4.576 . 0 0 "[ . 1 . 2]" 1
419 1 44 ASN HA 1 45 GLU H 3.000 . 3.000 2.770 2.551 2.979 . 0 0 "[ . 1 . 2]" 1
420 1 44 ASN QB 1 45 GLU H 3.000 . 3.900 2.300 1.972 2.877 . 0 0 "[ . 1 . 2]" 1
421 1 44 ASN QB 1 47 ASN QD 3.000 . 4.800 3.494 2.996 3.784 . 0 0 "[ . 1 . 2]" 1
422 1 44 ASN H 1 44 ASN QD 5.000 . 5.800 4.266 3.175 4.720 . 0 0 "[ . 1 . 2]" 1
423 1 44 ASN QD 1 46 ASN H 5.000 . 5.800 4.517 2.813 5.215 . 0 0 "[ . 1 . 2]" 1
424 1 44 ASN H 1 46 ASN H 5.000 . 5.000 4.528 4.205 4.758 . 0 0 "[ . 1 . 2]" 1
425 1 44 ASN H 1 47 ASN QD 5.000 . 5.800 3.360 2.341 4.012 . 0 0 "[ . 1 . 2]" 1
426 1 46 ASN HA 1 47 ASN H 3.000 . 3.000 2.960 2.829 3.058 0.058 15 0 "[ . 1 . 2]" 1
427 1 46 ASN H 1 46 ASN QB 3.000 . 3.900 2.538 2.264 2.985 . 0 0 "[ . 1 . 2]" 1
428 1 46 ASN QB 1 47 ASN H 5.000 . 5.900 3.867 3.699 4.062 . 0 0 "[ . 1 . 2]" 1
429 1 46 ASN H 1 47 ASN H 5.000 . 5.000 2.645 2.076 3.107 . 0 0 "[ . 1 . 2]" 1
430 1 47 ASN HA 1 48 PHE H 3.000 . 3.000 2.264 2.201 2.343 . 0 0 "[ . 1 . 2]" 1
431 1 47 ASN QB 1 48 PHE H 5.000 . 5.900 3.709 3.452 3.816 . 0 0 "[ . 1 . 2]" 1
432 1 47 ASN H 1 47 ASN QD 4.000 . 4.800 3.010 2.205 3.638 . 0 0 "[ . 1 . 2]" 1
433 1 47 ASN H 1 48 PHE QD 5.000 . 7.000 5.414 5.164 5.610 . 0 0 "[ . 1 . 2]" 1
434 1 47 ASN H 1 48 PHE QE 5.000 . 7.000 5.717 5.256 6.125 . 0 0 "[ . 1 . 2]" 1
435 1 47 ASN H 1 48 PHE H 5.000 . 5.000 4.279 4.117 4.467 . 0 0 "[ . 1 . 2]" 1
436 1 11 PRO HA 1 12 ALA H 3.000 . 3.000 2.436 2.207 2.667 . 0 0 "[ . 1 . 2]" 1
437 1 11 PRO QB 1 12 ALA H 4.000 . 4.900 2.858 2.329 3.989 . 0 0 "[ . 1 . 2]" 1
438 1 11 PRO QD 1 44 ASN QD 5.000 . 6.800 4.339 3.003 5.266 . 0 0 "[ . 1 . 2]" 1
439 1 11 PRO QG 1 12 ALA H 5.000 . 5.900 4.619 4.242 4.973 . 0 0 "[ . 1 . 2]" 1
440 1 35 PRO HA 1 36 PHE H 3.000 . 3.000 2.239 2.207 2.312 . 0 0 "[ . 1 . 2]" 1
441 1 35 PRO QB 1 36 PHE H 4.000 . 4.900 3.356 3.067 3.682 . 0 0 "[ . 1 . 2]" 1
442 1 5 PRO HA 1 6 SER H 3.000 . 3.000 2.642 2.214 2.905 . 0 0 "[ . 1 . 2]" 1
443 1 5 PRO HA 1 7 TRP HE1 5.000 . 5.000 4.270 3.158 5.039 0.039 9 0 "[ . 1 . 2]" 1
444 1 5 PRO HA 1 7 TRP H 5.000 . 5.000 4.557 3.770 4.929 . 0 0 "[ . 1 . 2]" 1
445 1 5 PRO QB 1 8 CYS H 5.000 . 5.900 3.753 3.349 4.274 . 0 0 "[ . 1 . 2]" 1
446 1 5 PRO QB 1 6 SER H 5.000 . 5.900 2.403 1.955 3.380 . 0 0 "[ . 1 . 2]" 1
447 1 5 PRO QB 1 7 TRP HE1 5.000 . 5.900 2.114 1.904 2.446 . 0 0 "[ . 1 . 2]" 1
448 1 5 PRO QB 1 7 TRP H 5.000 . 5.900 2.584 2.367 2.760 . 0 0 "[ . 1 . 2]" 1
449 1 5 PRO QG 1 8 CYS H 5.000 . 5.900 4.506 3.935 4.983 . 0 0 "[ . 1 . 2]" 1
450 1 5 PRO QG 1 7 TRP HE1 5.000 . 5.900 3.095 2.460 3.996 . 0 0 "[ . 1 . 2]" 1
451 1 5 PRO QG 1 7 TRP H 5.000 . 5.900 4.128 3.628 4.637 . 0 0 "[ . 1 . 2]" 1
452 1 52 GLN HA 1 54 CYS H 5.000 . 5.000 4.544 4.372 4.828 . 0 0 "[ . 1 . 2]" 1
453 1 52 GLN HA 1 53 GLU H 4.000 . 4.000 3.533 3.509 3.571 . 0 0 "[ . 1 . 2]" 1
454 1 52 GLN HA 1 55 LEU H 4.000 . 4.000 3.936 3.645 4.057 0.057 18 0 "[ . 1 . 2]" 1
455 1 52 GLN H 1 52 GLN HA 3.000 . 3.000 2.860 2.830 2.896 . 0 0 "[ . 1 . 2]" 1
456 1 52 GLN QB 1 53 GLU H 4.000 . 4.900 2.776 2.431 3.498 . 0 0 "[ . 1 . 2]" 1
457 1 52 GLN H 1 52 GLN QB 3.000 . 3.900 2.129 2.017 2.404 . 0 0 "[ . 1 . 2]" 1
458 1 52 GLN H 1 54 CYS H 5.000 . 5.000 4.122 3.927 4.492 . 0 0 "[ . 1 . 2]" 1
459 1 52 GLN H 1 53 GLU H 3.000 . 3.000 2.678 2.556 2.760 . 0 0 "[ . 1 . 2]" 1
460 1 14 ARG HA 1 15 GLY H 5.000 . 5.000 3.117 2.518 3.592 . 0 0 "[ . 1 . 2]" 1
461 1 14 ARG QB 1 15 GLY H 5.000 . 5.900 3.282 1.958 4.074 . 0 0 "[ . 1 . 2]" 1
462 1 14 ARG QB 1 39 SER H 5.000 . 5.900 4.381 3.334 5.221 . 0 0 "[ . 1 . 2]" 1
463 1 14 ARG H 1 14 ARG QD 5.000 . 5.900 3.901 2.248 4.927 . 0 0 "[ . 1 . 2]" 1
464 1 14 ARG QG 1 15 GLY H 5.000 . 5.900 3.997 2.103 4.688 . 0 0 "[ . 1 . 2]" 1
465 1 14 ARG QG 1 39 SER H 5.000 . 5.900 4.498 3.438 5.315 . 0 0 "[ . 1 . 2]" 1
466 1 14 ARG H 1 36 PHE QE 5.000 . 7.000 4.769 4.102 5.524 . 0 0 "[ . 1 . 2]" 1
467 1 14 ARG H 1 15 GLY H 4.000 . 4.000 2.904 2.259 3.552 . 0 0 "[ . 1 . 2]" 1
468 1 18 ARG HA 1 19 ALA H 5.000 . 5.000 2.502 2.194 3.616 . 0 0 "[ . 1 . 2]" 1
469 1 18 ARG QB 1 19 ALA H 5.000 . 5.900 3.779 1.902 4.076 . 0 0 "[ . 1 . 2]" 1
470 1 23 ARG HA 1 24 PHE H 3.000 . 3.000 2.351 2.282 2.413 . 0 0 "[ . 1 . 2]" 1
471 1 23 ARG H 1 23 ARG HA 3.000 . 3.000 2.962 2.952 2.969 . 0 0 "[ . 1 . 2]" 1
472 1 23 ARG QB 1 24 PHE H 4.000 . 4.900 2.789 2.682 2.978 . 0 0 "[ . 1 . 2]" 1
473 1 23 ARG QB 1 48 PHE H 5.000 . 5.900 3.464 2.891 3.908 . 0 0 "[ . 1 . 2]" 1
474 1 23 ARG QB 1 38 TYR H 5.000 . 5.900 3.532 2.900 3.968 . 0 0 "[ . 1 . 2]" 1
475 1 23 ARG QD 1 24 PHE H 5.000 . 5.900 3.210 2.867 3.467 . 0 0 "[ . 1 . 2]" 1
476 1 23 ARG QD 1 48 PHE H 5.000 . 5.900 3.675 3.141 4.265 . 0 0 "[ . 1 . 2]" 1
477 1 23 ARG H 1 23 ARG QD 5.000 . 5.900 4.052 3.787 4.302 . 0 0 "[ . 1 . 2]" 1
478 1 23 ARG QD 1 49 THR H 5.000 . 5.900 4.192 3.381 4.744 . 0 0 "[ . 1 . 2]" 1
479 1 23 ARG QG 1 24 PHE H 5.000 . 5.900 4.342 4.175 4.530 . 0 0 "[ . 1 . 2]" 1
480 1 23 ARG QG 1 47 ASN QD 5.000 . 6.800 4.248 3.380 5.165 . 0 0 "[ . 1 . 2]" 1
481 1 23 ARG QG 1 38 TYR H 5.000 . 5.900 3.608 3.318 3.980 . 0 0 "[ . 1 . 2]" 1
482 1 23 ARG H 1 36 PHE QD 5.000 . 7.000 4.150 4.038 4.335 . 0 0 "[ . 1 . 2]" 1
483 1 23 ARG H 1 36 PHE QE 5.000 . 7.000 4.167 4.078 4.352 . 0 0 "[ . 1 . 2]" 1
484 1 23 ARG H 1 36 PHE H 4.000 . 4.000 3.488 3.178 3.779 . 0 0 "[ . 1 . 2]" 1
485 1 23 ARG H 1 37 LYS HA 4.000 . 4.000 3.715 3.340 3.832 . 0 0 "[ . 1 . 2]" 1
486 1 23 ARG H 1 37 LYS QG 5.000 . 5.900 5.215 4.791 5.351 . 0 0 "[ . 1 . 2]" 1
487 1 23 ARG H 1 35 PRO HA 5.000 . 5.000 4.878 4.704 5.006 0.006 8 0 "[ . 1 . 2]" 1
488 1 23 ARG H 1 38 TYR QB 5.000 . 5.900 2.770 2.287 3.175 . 0 0 "[ . 1 . 2]" 1
489 1 23 ARG H 1 38 TYR H 5.000 . 5.000 2.618 2.335 3.031 . 0 0 "[ . 1 . 2]" 1
490 1 34 ARG H 1 34 ARG QD 5.000 . 5.900 4.334 3.824 4.639 . 0 0 "[ . 1 . 2]" 1
491 1 34 ARG H 1 35 PRO QD 5.000 . 5.900 4.245 4.151 4.339 . 0 0 "[ . 1 . 2]" 1
492 1 56 ARG HA 1 57 ALA H 4.000 . 4.000 3.481 3.440 3.501 . 0 0 "[ . 1 . 2]" 1
493 1 56 ARG HA 1 61 GLY H 5.000 . 5.000 3.668 2.089 4.994 . 0 0 "[ . 1 . 2]" 1
494 1 56 ARG HA 1 60 LYS H 5.000 . 5.000 3.757 2.838 5.014 0.014 12 0 "[ . 1 . 2]" 1
495 1 56 ARG H 1 56 ARG HA 3.000 . 3.000 2.851 2.818 2.881 . 0 0 "[ . 1 . 2]" 1
496 1 56 ARG QB 1 57 ALA H 3.000 . 3.900 3.003 2.883 3.113 . 0 0 "[ . 1 . 2]" 1
497 1 56 ARG H 1 56 ARG QB 3.000 . 3.900 2.128 1.982 2.176 . 0 0 "[ . 1 . 2]" 1
498 1 56 ARG QD 1 57 ALA H 5.000 . 5.900 4.711 3.649 5.334 . 0 0 "[ . 1 . 2]" 1
499 1 56 ARG H 1 56 ARG QD 5.000 . 5.900 4.101 2.345 4.463 . 0 0 "[ . 1 . 2]" 1
500 1 56 ARG QG 1 57 ALA H 5.000 . 5.900 4.316 4.027 4.719 . 0 0 "[ . 1 . 2]" 1
501 1 56 ARG H 1 57 ALA H 3.000 . 3.000 2.746 2.655 2.846 . 0 0 "[ . 1 . 2]" 1
502 1 56 ARG H 1 58 CYS H 5.000 . 5.000 4.908 4.453 5.142 0.142 9 0 "[ . 1 . 2]" 1
503 1 56 ARG H 1 59 LYS QB 5.000 . 5.900 4.509 4.233 4.838 . 0 0 "[ . 1 . 2]" 1
504 1 28 SER H 1 28 SER HA 3.000 . 3.000 2.926 2.911 2.937 . 0 0 "[ . 1 . 2]" 1
505 1 28 SER HA 1 29 VAL H 4.000 . 4.000 3.351 3.273 3.479 . 0 0 "[ . 1 . 2]" 1
506 1 28 SER H 1 28 SER QB 3.000 . 3.900 2.321 2.086 2.568 . 0 0 "[ . 1 . 2]" 1
507 1 28 SER QB 1 29 VAL H 5.000 . 5.900 3.524 3.313 3.899 . 0 0 "[ . 1 . 2]" 1
508 1 28 SER H 1 30 ILE QG 5.000 . 5.900 5.060 4.896 5.182 . 0 0 "[ . 1 . 2]" 1
509 1 28 SER H 1 29 VAL H 3.000 . 3.000 2.664 2.526 2.774 . 0 0 "[ . 1 . 2]" 1
510 1 39 SER H 1 39 SER HA 3.000 . 3.000 2.950 2.862 3.002 0.002 17 0 "[ . 1 . 2]" 1
511 1 39 SER QB 1 41 CYS H 5.000 . 5.900 3.499 2.483 5.272 . 0 0 "[ . 1 . 2]" 1
512 1 50 SER HA 1 51 LYS H 3.000 . 3.000 2.580 2.296 2.797 . 0 0 "[ . 1 . 2]" 1
513 1 50 SER HA 1 52 GLN H 5.000 . 5.000 4.482 4.165 4.706 . 0 0 "[ . 1 . 2]" 1
514 1 50 SER H 1 50 SER HA 3.000 . 3.000 2.975 2.904 3.004 0.004 3 0 "[ . 1 . 2]" 1
515 1 50 SER QB 1 53 GLU H 5.000 . 5.900 2.999 2.264 3.903 . 0 0 "[ . 1 . 2]" 1
516 1 50 SER QB 1 51 LYS H 3.000 . 3.900 2.588 1.988 3.324 . 0 0 "[ . 1 . 2]" 1
517 1 50 SER QB 1 52 GLN H 4.000 . 4.900 2.954 2.423 3.816 . 0 0 "[ . 1 . 2]" 1
518 1 50 SER H 1 53 GLU QB 4.000 . 4.900 3.197 2.603 4.019 . 0 0 "[ . 1 . 2]" 1
519 1 6 SER HA 1 8 CYS H 4.000 . 4.000 3.916 3.636 4.048 0.048 1 0 "[ . 1 . 2]" 1
520 1 6 SER HA 1 9 LEU H 5.000 . 5.000 4.486 3.605 4.974 . 0 0 "[ . 1 . 2]" 1
521 1 6 SER H 1 6 SER HA 3.000 . 3.000 2.991 2.959 3.002 0.002 12 0 "[ . 1 . 2]" 1
522 1 6 SER HA 1 7 TRP H 3.000 . 3.000 2.941 2.782 3.022 0.022 11 0 "[ . 1 . 2]" 1
523 1 6 SER H 1 7 TRP QB 5.000 . 5.900 3.904 3.621 4.298 . 0 0 "[ . 1 . 2]" 1
524 1 6 SER H 1 7 TRP H 4.000 . 4.000 2.621 2.302 2.998 . 0 0 "[ . 1 . 2]" 1
525 1 10 THR H 1 10 THR HA 3.000 . 3.000 2.864 2.764 2.967 . 0 0 "[ . 1 . 2]" 1
526 1 10 THR HB 1 44 ASN QD 5.000 . 5.800 3.617 2.362 4.615 . 0 0 "[ . 1 . 2]" 1
527 1 10 THR H 1 10 THR HB 3.000 . 3.000 2.515 2.324 2.925 . 0 0 "[ . 1 . 2]" 1
528 1 10 THR MG 1 45 GLU H 5.000 . 6.000 4.421 3.517 4.810 . 0 0 "[ . 1 . 2]" 1
529 1 10 THR MG 1 44 ASN QD 5.000 . 6.900 2.619 1.829 3.934 . 0 0 "[ . 1 . 2]" 1
530 1 10 THR H 1 46 ASN QB 5.000 . 5.900 4.751 4.320 5.312 . 0 0 "[ . 1 . 2]" 1
531 1 10 THR H 1 46 ASN QD 5.000 . 5.800 4.399 3.352 5.265 . 0 0 "[ . 1 . 2]" 1
532 1 10 THR H 1 11 PRO QD 5.000 . 5.900 4.377 4.252 4.408 . 0 0 "[ . 1 . 2]" 1
533 1 49 THR HA 1 50 SER H 4.000 . 4.000 3.421 3.052 3.549 . 0 0 "[ . 1 . 2]" 1
534 1 49 THR H 1 49 THR HA 3.000 . 3.000 2.946 2.845 2.999 . 0 0 "[ . 1 . 2]" 1
535 1 49 THR HB 1 50 SER H 5.000 . 5.000 4.055 3.164 4.556 . 0 0 "[ . 1 . 2]" 1
536 1 49 THR H 1 49 THR HB 4.000 . 4.000 2.940 2.444 3.596 . 0 0 "[ . 1 . 2]" 1
537 1 49 THR MG 1 50 SER H 5.000 . 6.000 2.967 1.934 4.264 . 0 0 "[ . 1 . 2]" 1
538 1 49 THR H 1 49 THR MG 4.000 . 5.000 2.192 1.925 3.745 . 0 0 "[ . 1 . 2]" 1
539 1 49 THR H 1 53 GLU QB 5.000 . 5.900 3.798 3.143 4.636 . 0 0 "[ . 1 . 2]" 1
540 1 49 THR H 1 50 SER H 3.000 . 3.000 2.448 2.035 2.771 . 0 0 "[ . 1 . 2]" 1
541 1 29 VAL HA 1 30 ILE H 4.000 . 4.000 3.583 3.529 3.595 . 0 0 "[ . 1 . 2]" 1
542 1 29 VAL H 1 29 VAL HA 3.000 . 3.000 2.979 2.965 2.999 . 0 0 "[ . 1 . 2]" 1
543 1 29 VAL HB 1 31 GLY H 5.000 . 5.000 4.434 4.282 5.017 0.017 2 0 "[ . 1 . 2]" 1
544 1 29 VAL HB 1 30 ILE H 3.000 . 3.000 2.220 2.058 2.643 . 0 0 "[ . 1 . 2]" 1
545 1 29 VAL H 1 29 VAL HB 3.000 . 3.000 2.408 2.361 2.502 . 0 0 "[ . 1 . 2]" 1
546 1 29 VAL H 1 31 GLY H 4.000 . 4.000 3.311 3.133 3.872 . 0 0 "[ . 1 . 2]" 1
547 1 29 VAL H 1 30 ILE HA 5.000 . 5.000 5.020 4.855 5.061 0.061 10 0 "[ . 1 . 2]" 1
548 1 29 VAL H 1 30 ILE QG 5.000 . 5.900 3.510 3.314 3.614 . 0 0 "[ . 1 . 2]" 1
549 1 29 VAL H 1 30 ILE H 3.000 . 3.000 2.385 2.151 2.490 . 0 0 "[ . 1 . 2]" 1
550 1 7 TRP HA 1 8 CYS H 4.000 . 4.000 3.242 2.999 3.521 . 0 0 "[ . 1 . 2]" 1
551 1 7 TRP HA 1 9 LEU H 5.000 . 5.000 4.254 3.465 4.770 . 0 0 "[ . 1 . 2]" 1
552 1 7 TRP HA 1 10 THR H 4.000 . 4.000 3.636 3.219 3.889 . 0 0 "[ . 1 . 2]" 1
553 1 7 TRP H 1 7 TRP HA 3.000 . 3.000 2.977 2.937 3.001 0.001 16 0 "[ . 1 . 2]" 1
554 1 7 TRP QB 1 8 CYS H 5.000 . 5.900 3.915 3.560 4.041 . 0 0 "[ . 1 . 2]" 1
555 1 7 TRP QB 1 45 GLU H 5.000 . 5.900 3.889 3.032 4.574 . 0 0 "[ . 1 . 2]" 1
556 1 7 TRP QB 1 10 THR H 5.000 . 5.900 5.127 4.702 5.316 . 0 0 "[ . 1 . 2]" 1
557 1 7 TRP H 1 7 TRP HD1 3.000 . 3.000 2.724 2.349 2.939 . 0 0 "[ . 1 . 2]" 1
558 1 7 TRP H 1 7 TRP HE1 5.000 . 5.000 4.208 3.961 4.410 . 0 0 "[ . 1 . 2]" 1
559 1 7 TRP HE3 1 8 CYS H 5.000 . 5.000 4.620 3.449 4.958 . 0 0 "[ . 1 . 2]" 1
560 1 7 TRP HE3 1 46 ASN QD 4.000 . 4.800 3.514 2.002 4.333 . 0 0 "[ . 1 . 2]" 1
561 1 7 TRP HE3 1 46 ASN H 5.000 . 5.000 4.751 4.202 5.005 0.005 5 0 "[ . 1 . 2]" 1
562 1 7 TRP H 1 8 CYS QB 5.000 . 5.900 3.523 3.163 4.347 . 0 0 "[ . 1 . 2]" 1
563 1 7 TRP H 1 8 CYS H 3.000 . 3.000 2.016 1.919 2.241 . 0 0 "[ . 1 . 2]" 1
564 1 25 TYR HA 1 48 PHE H 5.000 . 5.000 4.310 4.049 4.726 . 0 0 "[ . 1 . 2]" 1
565 1 25 TYR HA 1 26 TYR H 3.000 . 3.000 2.241 2.206 2.315 . 0 0 "[ . 1 . 2]" 1
566 1 25 TYR QB 1 34 ARG H 5.000 . 5.900 3.868 3.330 4.112 . 0 0 "[ . 1 . 2]" 1
567 1 25 TYR H 1 25 TYR QB 3.000 . 3.900 2.090 2.024 2.162 . 0 0 "[ . 1 . 2]" 1
568 1 25 TYR QD 1 27 ASN H 5.000 . 7.000 4.817 4.170 5.177 . 0 0 "[ . 1 . 2]" 1
569 1 25 TYR QD 1 34 ARG H 5.000 . 7.000 4.205 3.655 4.590 . 0 0 "[ . 1 . 2]" 1
570 1 25 TYR H 1 25 TYR QD 3.000 . 5.000 4.037 3.912 4.131 . 0 0 "[ . 1 . 2]" 1
571 1 25 TYR QD 1 26 TYR H 5.000 . 7.000 2.452 1.988 3.438 . 0 0 "[ . 1 . 2]" 1
572 1 25 TYR QE 1 27 ASN QD 5.000 . 7.800 3.518 2.427 4.592 . 0 0 "[ . 1 . 2]" 1
573 1 25 TYR QE 1 27 ASN H 5.000 . 7.000 5.028 4.627 5.430 . 0 0 "[ . 1 . 2]" 1
574 1 25 TYR QE 1 34 ARG H 5.000 . 7.000 5.540 5.149 5.944 . 0 0 "[ . 1 . 2]" 1
575 1 25 TYR QE 1 28 SER H 5.000 . 7.000 4.275 3.756 4.532 . 0 0 "[ . 1 . 2]" 1
576 1 25 TYR H 1 25 TYR QE 5.000 . 7.000 6.045 5.917 6.149 . 0 0 "[ . 1 . 2]" 1
577 1 25 TYR H 1 33 CYS HA 5.000 . 5.000 4.637 4.450 4.809 . 0 0 "[ . 1 . 2]" 1
578 1 25 TYR H 1 33 CYS QB 5.000 . 5.900 4.316 3.540 5.078 . 0 0 "[ . 1 . 2]" 1
579 1 25 TYR H 1 36 PHE QB 5.000 . 5.900 3.835 3.568 4.047 . 0 0 "[ . 1 . 2]" 1
580 1 25 TYR H 1 36 PHE QE 5.000 . 7.000 3.408 2.997 3.924 . 0 0 "[ . 1 . 2]" 1
581 1 25 TYR H 1 36 PHE H 5.000 . 5.000 3.332 2.942 3.647 . 0 0 "[ . 1 . 2]" 1
582 1 25 TYR H 1 35 PRO HA 4.000 . 4.000 2.961 2.642 3.481 . 0 0 "[ . 1 . 2]" 1
583 1 25 TYR H 1 35 PRO QB 5.000 . 5.900 4.804 4.523 5.264 . 0 0 "[ . 1 . 2]" 1
584 1 25 TYR H 1 34 ARG HA 5.000 . 5.000 4.859 4.620 5.018 0.018 16 0 "[ . 1 . 2]" 1
585 1 25 TYR H 1 34 ARG QB 5.000 . 5.900 4.232 3.885 4.893 . 0 0 "[ . 1 . 2]" 1
586 1 25 TYR H 1 34 ARG H 4.000 . 4.000 3.851 3.555 4.038 0.038 13 0 "[ . 1 . 2]" 1
587 1 26 TYR HA 1 27 ASN H 3.000 . 3.000 2.233 2.212 2.273 . 0 0 "[ . 1 . 2]" 1
588 1 26 TYR HA 1 34 ARG H 4.000 . 4.000 3.770 3.577 3.958 . 0 0 "[ . 1 . 2]" 1
589 1 26 TYR QB 1 27 ASN H 5.000 . 5.900 3.961 3.879 4.017 . 0 0 "[ . 1 . 2]" 1
590 1 26 TYR QB 1 46 ASN QD 5.000 . 6.800 3.294 2.445 4.777 . 0 0 "[ . 1 . 2]" 1
591 1 26 TYR QD 1 27 ASN H 4.000 . 6.000 3.906 3.555 4.114 . 0 0 "[ . 1 . 2]" 1
592 1 26 TYR QD 1 28 SER H 5.000 . 7.000 4.219 3.624 4.895 . 0 0 "[ . 1 . 2]" 1
593 1 26 TYR H 1 26 TYR QD 5.000 . 7.000 4.154 4.116 4.199 . 0 0 "[ . 1 . 2]" 1
594 1 26 TYR QE 1 31 GLY H 5.000 . 7.000 5.254 4.749 5.639 . 0 0 "[ . 1 . 2]" 1
595 1 26 TYR QE 1 32 LYS H 5.000 . 7.000 5.857 5.213 6.281 . 0 0 "[ . 1 . 2]" 1
596 1 26 TYR QE 1 27 ASN H 5.000 . 7.000 4.971 4.600 5.217 . 0 0 "[ . 1 . 2]" 1
597 1 26 TYR QE 1 28 SER H 5.000 . 7.000 4.957 4.211 5.597 . 0 0 "[ . 1 . 2]" 1
598 1 26 TYR H 1 48 PHE QD 5.000 . 7.000 3.599 2.868 4.177 . 0 0 "[ . 1 . 2]" 1
599 1 26 TYR H 1 48 PHE QE 5.000 . 7.000 4.022 3.376 4.813 . 0 0 "[ . 1 . 2]" 1
600 1 26 TYR H 1 46 ASN QD 5.000 . 5.800 3.760 2.500 4.945 . 0 0 "[ . 1 . 2]" 1
601 1 38 TYR HA 1 39 SER H 3.000 . 3.000 2.338 2.196 2.504 . 0 0 "[ . 1 . 2]" 1
602 1 38 TYR H 1 38 TYR HA 3.000 . 3.000 2.917 2.843 2.962 . 0 0 "[ . 1 . 2]" 1
603 1 38 TYR QB 1 39 SER H 5.000 . 5.900 3.546 3.306 3.938 . 0 0 "[ . 1 . 2]" 1
604 1 38 TYR H 1 38 TYR QB 3.000 . 3.900 2.184 2.114 2.226 . 0 0 "[ . 1 . 2]" 1
605 1 38 TYR QD 1 47 ASN QD 5.000 . 7.800 3.451 2.437 4.230 . 0 0 "[ . 1 . 2]" 1
606 1 38 TYR QD 1 39 SER H 5.000 . 7.000 2.866 2.470 3.651 . 0 0 "[ . 1 . 2]" 1
607 1 38 TYR H 1 38 TYR QD 5.000 . 7.000 4.141 4.014 4.172 . 0 0 "[ . 1 . 2]" 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 20
_Distance_constraint_stats_list.Viol_count 101
_Distance_constraint_stats_list.Viol_total 48.446
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0240
_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 21 GLU 0.466 0.134 16 0 "[ . 1 . 2]"
1 23 ARG 0.225 0.043 19 0 "[ . 1 . 2]"
1 24 PHE 0.028 0.011 14 0 "[ . 1 . 2]"
1 25 TYR 0.410 0.051 15 0 "[ . 1 . 2]"
1 27 ASN 0.296 0.085 17 0 "[ . 1 . 2]"
1 31 GLY 0.296 0.085 17 0 "[ . 1 . 2]"
1 34 ARG 0.410 0.051 15 0 "[ . 1 . 2]"
1 36 PHE 0.225 0.043 19 0 "[ . 1 . 2]"
1 38 TYR 0.466 0.134 16 0 "[ . 1 . 2]"
1 48 PHE 0.028 0.011 14 0 "[ . 1 . 2]"
1 51 LYS 0.100 0.032 2 0 "[ . 1 . 2]"
1 52 GLN 0.186 0.035 6 0 "[ . 1 . 2]"
1 53 GLU 0.071 0.029 20 0 "[ . 1 . 2]"
1 54 CYS 0.247 0.070 18 0 "[ . 1 . 2]"
1 55 LEU 0.493 0.078 18 0 "[ . 1 . 2]"
1 56 ARG 0.186 0.035 6 0 "[ . 1 . 2]"
1 57 ALA 0.071 0.029 20 0 "[ . 1 . 2]"
1 58 CYS 0.247 0.070 18 0 "[ . 1 . 2]"
1 59 LYS 0.393 0.078 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 TYR O 1 34 ARG H 2.150 . 2.300 2.137 1.998 2.336 0.036 12 0 "[ . 1 . 2]" 2
2 1 25 TYR O 1 34 ARG N 2.900 2.800 3.300 2.802 2.749 2.963 0.051 15 0 "[ . 1 . 2]" 2
3 1 21 GLU H 1 38 TYR O 2.150 . 2.300 2.278 1.982 2.434 0.134 16 0 "[ . 1 . 2]" 2
4 1 21 GLU N 1 38 TYR O 2.900 2.800 3.300 3.181 2.922 3.300 0.000 16 0 "[ . 1 . 2]" 2
5 1 51 LYS O 1 55 LEU H 2.150 . 2.300 2.208 1.993 2.332 0.032 2 0 "[ . 1 . 2]" 2
6 1 51 LYS O 1 55 LEU N 2.900 2.800 3.300 3.156 2.974 3.293 . 0 0 "[ . 1 . 2]" 2
7 1 55 LEU O 1 59 LYS H 2.150 . 2.300 2.196 1.932 2.378 0.078 18 0 "[ . 1 . 2]" 2
8 1 55 LEU O 1 59 LYS N 2.900 2.800 3.300 2.819 2.725 2.971 0.075 17 0 "[ . 1 . 2]" 2
9 1 24 PHE H 1 48 PHE O 2.150 . 2.300 2.016 1.825 2.305 0.005 6 0 "[ . 1 . 2]" 2
10 1 24 PHE N 1 48 PHE O 2.900 2.800 3.300 2.979 2.789 3.257 0.011 14 0 "[ . 1 . 2]" 2
11 1 52 GLN O 1 56 ARG H 2.150 . 2.300 2.271 2.138 2.335 0.035 6 0 "[ . 1 . 2]" 2
12 1 52 GLN O 1 56 ARG N 2.900 2.800 3.300 3.172 3.009 3.240 . 0 0 "[ . 1 . 2]" 2
13 1 53 GLU O 1 57 ALA H 2.150 . 2.300 2.232 2.108 2.329 0.029 20 0 "[ . 1 . 2]" 2
14 1 53 GLU O 1 57 ALA N 2.900 2.800 3.300 2.927 2.811 3.062 . 0 0 "[ . 1 . 2]" 2
15 1 23 ARG H 1 36 PHE O 2.150 . 2.300 2.278 2.041 2.343 0.043 19 0 "[ . 1 . 2]" 2
16 1 23 ARG N 1 36 PHE O 2.900 2.800 3.300 2.977 2.798 3.100 0.002 5 0 "[ . 1 . 2]" 2
17 1 27 ASN O 1 31 GLY H 2.150 . 2.300 2.287 2.005 2.385 0.085 17 0 "[ . 1 . 2]" 2
18 1 27 ASN O 1 31 GLY N 2.900 2.800 3.300 2.989 2.826 3.164 . 0 0 "[ . 1 . 2]" 2
19 1 54 CYS O 1 58 CYS H 2.150 . 2.300 2.277 2.039 2.370 0.070 18 0 "[ . 1 . 2]" 2
20 1 54 CYS O 1 58 CYS N 2.900 2.800 3.300 3.203 3.018 3.305 0.005 14 0 "[ . 1 . 2]" 2
stop_
save_
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