NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390304 |
1ocp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ocp
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 535
_Distance_constraint_stats_list.Viol_count 1376
_Distance_constraint_stats_list.Viol_total 2087.671
_Distance_constraint_stats_list.Viol_max 0.346
_Distance_constraint_stats_list.Viol_rms 0.0339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0759
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.065 0.038 5 0 "[ . 1 . 2]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.489 0.109 17 0 "[ . 1 . 2]"
1 4 LEU 0.499 0.101 3 0 "[ . 1 . 2]"
1 5 VAL 0.708 0.142 8 0 "[ . 1 . 2]"
1 6 GLN 0.393 0.070 10 0 "[ . 1 . 2]"
1 7 ALA 1.776 0.132 10 0 "[ . 1 . 2]"
1 8 ARG 3.075 0.168 2 0 "[ . 1 . 2]"
1 9 LYS 2.690 0.168 11 0 "[ . 1 . 2]"
1 10 ARG 2.715 0.168 9 0 "[ . 1 . 2]"
1 11 LYS 2.620 0.170 15 0 "[ . 1 . 2]"
1 12 ARG 1.155 0.156 16 0 "[ . 1 . 2]"
1 13 THR 0.591 0.114 16 0 "[ . 1 . 2]"
1 14 SER 1.874 0.273 18 0 "[ . 1 . 2]"
1 15 ILE 5.075 0.273 18 0 "[ . 1 . 2]"
1 16 GLU 6.477 0.208 9 0 "[ . 1 . 2]"
1 17 ASN 6.588 0.228 20 0 "[ . 1 . 2]"
1 18 ARG 1.414 0.143 9 0 "[ . 1 . 2]"
1 19 VAL 4.286 0.208 9 0 "[ . 1 . 2]"
1 20 ARG 18.802 0.277 3 0 "[ . 1 . 2]"
1 21 TRP 6.685 0.298 14 0 "[ . 1 . 2]"
1 22 SER 4.353 0.143 10 0 "[ . 1 . 2]"
1 23 LEU 7.931 0.277 3 0 "[ . 1 . 2]"
1 24 GLU 6.966 0.213 18 0 "[ . 1 . 2]"
1 25 THR 0.330 0.064 4 0 "[ . 1 . 2]"
1 26 MET 3.303 0.140 2 0 "[ . 1 . 2]"
1 27 PHE 4.027 0.219 13 0 "[ . 1 . 2]"
1 28 LEU 0.153 0.068 4 0 "[ . 1 . 2]"
1 29 LYS 0.423 0.038 8 0 "[ . 1 . 2]"
1 30 CYS 0.539 0.068 4 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 8.215 0.346 2 0 "[ . 1 . 2]"
1 35 LEU 4.701 0.196 10 0 "[ . 1 . 2]"
1 36 GLN 7.868 0.346 2 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 1.706 0.194 20 0 "[ . 1 . 2]"
1 39 THR 2.359 0.085 18 0 "[ . 1 . 2]"
1 40 HIS 1.146 0.065 11 0 "[ . 1 . 2]"
1 41 ILE 0.840 0.073 14 0 "[ . 1 . 2]"
1 42 ALA 3.629 0.216 18 0 "[ . 1 . 2]"
1 43 ASN 3.304 0.078 16 0 "[ . 1 . 2]"
1 44 GLN 3.215 0.216 18 0 "[ . 1 . 2]"
1 45 LEU 5.766 0.228 17 0 "[ . 1 . 2]"
1 46 GLY 0.048 0.024 15 0 "[ . 1 . 2]"
1 47 LEU 4.946 0.307 17 0 "[ . 1 . 2]"
1 48 GLU 2.434 0.307 17 0 "[ . 1 . 2]"
1 49 LYS 2.513 0.111 18 0 "[ . 1 . 2]"
1 50 ASP 1.922 0.106 16 0 "[ . 1 . 2]"
1 51 VAL 1.446 0.088 20 0 "[ . 1 . 2]"
1 52 VAL 0.684 0.100 20 0 "[ . 1 . 2]"
1 53 ARG 1.624 0.106 16 0 "[ . 1 . 2]"
1 54 VAL 2.788 0.213 17 0 "[ . 1 . 2]"
1 55 TRP 11.555 0.298 14 0 "[ . 1 . 2]"
1 56 PHE 0.233 0.059 20 0 "[ . 1 . 2]"
1 57 CYS 2.235 0.176 20 0 "[ . 1 . 2]"
1 58 ASN 2.008 0.213 17 0 "[ . 1 . 2]"
1 59 ARG 9.365 0.280 18 0 "[ . 1 . 2]"
1 60 ARG 1.907 0.176 20 0 "[ . 1 . 2]"
1 61 GLN 0.237 0.039 1 0 "[ . 1 . 2]"
1 62 LYS 0.471 0.090 17 0 "[ . 1 . 2]"
1 63 GLY 0.031 0.011 1 0 "[ . 1 . 2]"
1 64 LYS 1.364 0.101 15 0 "[ . 1 . 2]"
1 65 ARG 1.360 0.101 15 0 "[ . 1 . 2]"
1 66 SER 0.059 0.036 1 0 "[ . 1 . 2]"
1 67 SER 0.053 0.036 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 3 THR H 4.500 . 4.500 4.092 3.373 4.538 0.038 5 0 "[ . 1 . 2]" 1
2 1 2 GLU H 1 3 THR H 4.500 . 4.500 2.659 1.978 3.498 . 0 0 "[ . 1 . 2]" 1
3 1 3 THR H 1 3 THR HB 3.500 . 3.500 3.175 2.609 3.609 0.109 17 0 "[ . 1 . 2]" 1
4 1 3 THR H 1 3 THR MG 4.500 . 4.500 3.130 1.946 3.845 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR H 1 4 LEU H 4.500 . 4.500 3.946 2.195 4.601 0.101 3 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU HG 4.500 . 4.500 3.452 2.016 4.593 0.093 14 0 "[ . 1 . 2]" 1
7 1 4 LEU H 1 5 VAL H 4.500 . 4.500 3.468 2.085 4.517 0.017 7 0 "[ . 1 . 2]" 1
8 1 4 LEU HA 1 5 VAL H 3.500 . 3.500 2.790 2.188 3.573 0.073 9 0 "[ . 1 . 2]" 1
9 1 4 LEU QB 1 5 VAL H 5.500 . 5.500 2.968 1.981 4.055 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU QD 1 5 VAL HA 6.900 . 6.900 4.064 2.905 4.964 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU QD 1 5 VAL HB 6.900 . 6.900 4.465 3.103 5.085 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL H 1 5 VAL HB 3.500 . 3.500 2.994 2.562 3.642 0.142 8 0 "[ . 1 . 2]" 1
13 1 5 VAL H 1 6 GLN H 3.500 . 3.500 2.823 1.989 3.529 0.029 18 0 "[ . 1 . 2]" 1
14 1 5 VAL HA 1 6 GLN H 3.500 . 3.500 2.873 2.306 3.570 0.070 10 0 "[ . 1 . 2]" 1
15 1 5 VAL QG 1 6 GLN H 6.900 . 6.900 3.351 2.094 3.760 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLN H 1 7 ALA H 4.500 . 4.500 3.428 1.983 4.532 0.032 14 0 "[ . 1 . 2]" 1
17 1 7 ALA H 1 7 ALA HA 2.800 . 2.800 2.871 2.839 2.932 0.132 10 0 "[ . 1 . 2]" 1
18 1 7 ALA H 1 8 ARG H 4.500 . 4.500 4.088 2.682 4.566 0.066 1 0 "[ . 1 . 2]" 1
19 1 8 ARG H 1 8 ARG HA 2.800 . 2.800 2.934 2.898 2.968 0.168 2 0 "[ . 1 . 2]" 1
20 1 8 ARG H 1 10 ARG H 4.500 . 4.500 4.148 2.995 4.558 0.058 13 0 "[ . 1 . 2]" 1
21 1 9 LYS H 1 9 LYS HA 2.800 . 2.800 2.935 2.904 2.968 0.168 11 0 "[ . 1 . 2]" 1
22 1 9 LYS H 1 10 ARG H 4.500 . 4.500 2.951 2.015 4.148 . 0 0 "[ . 1 . 2]" 1
23 1 10 ARG H 1 10 ARG HA 2.800 . 2.800 2.928 2.904 2.968 0.168 9 0 "[ . 1 . 2]" 1
24 1 10 ARG H 1 11 LYS H 3.500 . 3.500 2.859 2.005 3.546 0.046 5 0 "[ . 1 . 2]" 1
25 1 11 LYS H 1 11 LYS HA 2.800 . 2.800 2.924 2.899 2.970 0.170 15 0 "[ . 1 . 2]" 1
26 1 11 LYS H 1 11 LYS QD 5.500 . 5.500 3.985 2.149 4.862 . 0 0 "[ . 1 . 2]" 1
27 1 11 LYS H 1 12 ARG H 4.500 . 4.500 4.038 2.399 4.540 0.040 19 0 "[ . 1 . 2]" 1
28 1 11 LYS HA 1 12 ARG H 2.800 . 2.800 2.521 2.179 2.834 0.034 5 0 "[ . 1 . 2]" 1
29 1 12 ARG HA 1 16 GLU H 4.500 . 4.500 4.499 4.188 4.656 0.156 16 0 "[ . 1 . 2]" 1
30 1 12 ARG QB 1 14 SER H 5.500 . 5.500 4.834 4.496 4.980 . 0 0 "[ . 1 . 2]" 1
31 1 13 THR H 1 13 THR HB 3.500 . 3.500 2.943 2.563 3.614 0.114 16 0 "[ . 1 . 2]" 1
32 1 13 THR H 1 14 SER H 4.500 . 4.500 2.397 2.219 2.697 . 0 0 "[ . 1 . 2]" 1
33 1 13 THR HA 1 14 SER H 3.500 . 3.500 3.498 3.279 3.564 0.064 18 0 "[ . 1 . 2]" 1
34 1 13 THR HB 1 14 SER H 4.500 . 4.500 3.169 2.013 4.162 . 0 0 "[ . 1 . 2]" 1
35 1 14 SER H 1 15 ILE H 4.500 . 4.500 3.243 1.907 4.533 0.033 13 0 "[ . 1 . 2]" 1
36 1 14 SER HA 1 15 ILE H 2.800 . 2.800 2.850 2.652 3.073 0.273 18 0 "[ . 1 . 2]" 1
37 1 14 SER HA 1 15 ILE HA 4.500 . 4.500 4.412 4.385 4.442 . 0 0 "[ . 1 . 2]" 1
38 1 14 SER QB 1 15 ILE H 4.500 . 4.500 2.958 1.977 4.011 . 0 0 "[ . 1 . 2]" 1
39 1 14 SER QB 1 15 ILE HA 5.500 . 5.500 4.544 4.267 4.854 . 0 0 "[ . 1 . 2]" 1
40 1 15 ILE H 1 15 ILE HB 3.500 . 3.500 2.657 2.368 2.952 . 0 0 "[ . 1 . 2]" 1
41 1 15 ILE H 1 15 ILE MD 5.500 . 5.500 3.812 3.488 4.065 . 0 0 "[ . 1 . 2]" 1
42 1 15 ILE H 1 16 GLU H 4.500 . 4.500 3.581 2.680 4.223 . 0 0 "[ . 1 . 2]" 1
43 1 15 ILE HA 1 16 GLU H 2.800 . 2.800 2.374 2.248 2.586 . 0 0 "[ . 1 . 2]" 1
44 1 15 ILE HA 1 20 ARG H 4.500 . 4.500 4.650 4.589 4.719 0.219 4 0 "[ . 1 . 2]" 1
45 1 15 ILE HB 1 16 GLU H 4.500 . 4.500 4.515 4.418 4.545 0.045 17 0 "[ . 1 . 2]" 1
46 1 15 ILE MD 1 19 VAL MG1 6.500 . 6.500 2.039 1.774 2.331 0.026 12 0 "[ . 1 . 2]" 1
47 1 15 ILE MD 1 19 VAL MG2 6.500 . 6.500 3.387 1.824 3.809 . 0 0 "[ . 1 . 2]" 1
48 1 15 ILE MD 1 20 ARG H 5.500 . 5.500 4.346 4.130 4.615 . 0 0 "[ . 1 . 2]" 1
49 1 15 ILE MD 1 23 LEU MD1 6.500 . 6.500 3.481 3.081 3.901 . 0 0 "[ . 1 . 2]" 1
50 1 15 ILE MD 1 23 LEU MD2 6.500 . 6.500 4.443 4.296 4.541 . 0 0 "[ . 1 . 2]" 1
51 1 15 ILE QG 1 16 GLU H 5.500 . 5.500 4.800 4.746 4.862 . 0 0 "[ . 1 . 2]" 1
52 1 15 ILE MG 1 16 GLU H 5.500 . 5.500 3.625 3.391 3.911 . 0 0 "[ . 1 . 2]" 1
53 1 15 ILE MG 1 19 VAL HB 5.500 . 5.500 4.347 3.629 4.481 . 0 0 "[ . 1 . 2]" 1
54 1 15 ILE MG 1 20 ARG H 5.500 . 5.500 3.344 2.944 3.868 . 0 0 "[ . 1 . 2]" 1
55 1 15 ILE MG 1 20 ARG HA 5.500 . 5.500 3.925 3.216 4.623 . 0 0 "[ . 1 . 2]" 1
56 1 15 ILE MG 1 20 ARG QG 6.500 . 6.500 2.301 1.808 3.265 . 0 0 "[ . 1 . 2]" 1
57 1 16 GLU H 1 17 ASN H 4.500 . 4.500 4.628 4.537 4.653 0.153 20 0 "[ . 1 . 2]" 1
58 1 16 GLU H 1 19 VAL HB 4.500 . 4.500 2.527 2.299 2.777 . 0 0 "[ . 1 . 2]" 1
59 1 16 GLU HA 1 19 VAL H 4.500 . 4.500 4.371 4.304 4.529 0.029 9 0 "[ . 1 . 2]" 1
60 1 16 GLU HA 1 19 VAL HB 4.500 . 4.500 4.621 4.539 4.708 0.208 9 0 "[ . 1 . 2]" 1
61 1 16 GLU QB 1 18 ARG H 5.500 . 5.500 2.458 2.214 2.839 . 0 0 "[ . 1 . 2]" 1
62 1 16 GLU QB 1 19 VAL H 5.500 . 5.500 2.438 2.076 3.677 . 0 0 "[ . 1 . 2]" 1
63 1 16 GLU QB 1 19 VAL MG2 6.500 . 6.500 3.895 3.489 4.865 . 0 0 "[ . 1 . 2]" 1
64 1 16 GLU QG 1 17 ASN H 5.500 . 5.500 2.802 1.984 4.213 . 0 0 "[ . 1 . 2]" 1
65 1 16 GLU QG 1 18 ARG H 5.500 . 5.500 3.386 1.954 4.691 . 0 0 "[ . 1 . 2]" 1
66 1 17 ASN H 1 17 ASN HA 2.800 . 2.800 2.851 2.827 2.891 0.091 10 0 "[ . 1 . 2]" 1
67 1 17 ASN H 1 18 ARG H 4.500 . 4.500 2.655 2.469 2.767 . 0 0 "[ . 1 . 2]" 1
68 1 17 ASN HA 1 18 ARG H 3.500 . 3.500 3.479 3.456 3.503 0.003 15 0 "[ . 1 . 2]" 1
69 1 17 ASN HA 1 20 ARG H 3.500 . 3.500 3.647 3.582 3.728 0.228 20 0 "[ . 1 . 2]" 1
70 1 17 ASN HA 1 20 ARG QB 5.500 . 5.500 3.292 2.987 4.096 . 0 0 "[ . 1 . 2]" 1
71 1 17 ASN HA 1 21 TRP H 4.500 . 4.500 4.376 4.168 4.526 0.026 18 0 "[ . 1 . 2]" 1
72 1 17 ASN QB 1 18 ARG H 4.500 . 4.500 3.099 2.872 3.625 . 0 0 "[ . 1 . 2]" 1
73 1 18 ARG H 1 19 VAL H 3.500 . 3.500 2.378 2.263 2.510 . 0 0 "[ . 1 . 2]" 1
74 1 18 ARG HA 1 19 VAL H 3.500 . 3.500 3.509 3.399 3.526 0.026 1 0 "[ . 1 . 2]" 1
75 1 18 ARG HA 1 21 TRP H 3.500 . 3.500 3.541 3.363 3.643 0.143 9 0 "[ . 1 . 2]" 1
76 1 18 ARG HA 1 21 TRP QB 5.500 . 5.500 3.207 2.890 3.470 . 0 0 "[ . 1 . 2]" 1
77 1 18 ARG HA 1 22 SER H 4.500 . 4.500 4.251 4.104 4.446 . 0 0 "[ . 1 . 2]" 1
78 1 18 ARG QG 1 19 VAL H 5.500 . 5.500 4.203 1.990 4.645 . 0 0 "[ . 1 . 2]" 1
79 1 19 VAL H 1 19 VAL HB 3.500 . 3.500 2.287 2.242 2.452 . 0 0 "[ . 1 . 2]" 1
80 1 19 VAL H 1 19 VAL MG1 4.500 . 4.500 2.881 2.778 2.950 . 0 0 "[ . 1 . 2]" 1
81 1 19 VAL H 1 20 ARG H 3.500 . 3.500 2.636 2.288 2.734 . 0 0 "[ . 1 . 2]" 1
82 1 19 VAL H 1 21 TRP H 4.500 . 4.500 4.234 3.734 4.436 . 0 0 "[ . 1 . 2]" 1
83 1 19 VAL HA 1 20 ARG H 3.500 . 3.500 3.552 3.530 3.564 0.064 13 0 "[ . 1 . 2]" 1
84 1 19 VAL HA 1 22 SER H 3.500 . 3.500 3.325 3.172 3.432 . 0 0 "[ . 1 . 2]" 1
85 1 19 VAL HA 1 22 SER QB 5.500 . 5.500 2.113 1.969 2.271 . 0 0 "[ . 1 . 2]" 1
86 1 19 VAL HA 1 23 LEU H 4.500 . 4.500 4.255 4.171 4.373 . 0 0 "[ . 1 . 2]" 1
87 1 19 VAL HB 1 20 ARG H 3.500 . 3.500 3.518 3.397 3.561 0.061 13 0 "[ . 1 . 2]" 1
88 1 19 VAL MG1 1 20 ARG H 5.500 . 5.500 2.086 1.883 2.210 . 0 0 "[ . 1 . 2]" 1
89 1 19 VAL MG1 1 23 LEU MD1 6.500 . 6.500 3.002 2.714 3.181 . 0 0 "[ . 1 . 2]" 1
90 1 19 VAL MG1 1 23 LEU MD2 6.500 . 6.500 4.270 4.201 4.334 . 0 0 "[ . 1 . 2]" 1
91 1 19 VAL MG1 1 45 LEU QB 6.500 . 6.500 2.521 1.936 3.616 . 0 0 "[ . 1 . 2]" 1
92 1 19 VAL MG1 1 45 LEU MD1 6.500 . 6.500 2.258 1.929 3.136 . 0 0 "[ . 1 . 2]" 1
93 1 19 VAL MG2 1 20 ARG H 5.500 . 5.500 3.987 3.867 4.034 . 0 0 "[ . 1 . 2]" 1
94 1 19 VAL MG2 1 20 ARG HA 5.500 . 5.500 4.451 4.378 4.513 . 0 0 "[ . 1 . 2]" 1
95 1 19 VAL MG2 1 23 LEU H 5.500 . 5.500 4.513 4.426 4.608 . 0 0 "[ . 1 . 2]" 1
96 1 19 VAL MG2 1 23 LEU MD1 6.500 . 6.500 4.042 3.736 4.245 . 0 0 "[ . 1 . 2]" 1
97 1 19 VAL MG2 1 23 LEU MD2 6.500 . 6.500 4.152 3.999 4.271 . 0 0 "[ . 1 . 2]" 1
98 1 20 ARG H 1 20 ARG QB 3.400 . 3.400 2.299 2.074 2.643 . 0 0 "[ . 1 . 2]" 1
99 1 20 ARG H 1 20 ARG QD 5.500 . 5.500 4.135 3.013 4.702 . 0 0 "[ . 1 . 2]" 1
100 1 20 ARG H 1 21 TRP H 4.500 . 4.500 2.816 2.675 2.930 . 0 0 "[ . 1 . 2]" 1
101 1 20 ARG HA 1 21 TRP H 3.500 . 3.500 3.571 3.527 3.598 0.098 17 0 "[ . 1 . 2]" 1
102 1 20 ARG HA 1 23 LEU H 4.500 . 4.500 3.389 3.254 3.483 . 0 0 "[ . 1 . 2]" 1
103 1 20 ARG HA 1 23 LEU HB3 4.500 . 4.500 4.707 4.657 4.777 0.277 3 0 "[ . 1 . 2]" 1
104 1 20 ARG HA 1 23 LEU MD1 5.500 . 5.500 1.782 1.750 1.809 0.050 3 0 "[ . 1 . 2]" 1
105 1 20 ARG HA 1 24 GLU H 4.500 . 4.500 4.666 4.590 4.713 0.213 18 0 "[ . 1 . 2]" 1
106 1 20 ARG QB 1 21 TRP H 4.500 . 4.500 2.582 2.304 3.383 . 0 0 "[ . 1 . 2]" 1
107 1 20 ARG QG 1 21 TRP H 5.500 . 5.500 3.955 1.891 4.394 . 0 0 "[ . 1 . 2]" 1
108 1 20 ARG O 1 24 GLU H 2.300 . 2.300 2.384 2.344 2.418 0.118 13 0 "[ . 1 . 2]" 1
109 1 20 ARG O 1 24 GLU N 3.300 2.500 3.300 3.318 3.273 3.349 0.049 18 0 "[ . 1 . 2]" 1
110 1 21 TRP H 1 22 SER H 4.500 . 4.500 2.545 2.446 2.591 . 0 0 "[ . 1 . 2]" 1
111 1 21 TRP HA 1 22 SER H 3.500 . 3.500 3.313 3.139 3.404 . 0 0 "[ . 1 . 2]" 1
112 1 21 TRP HA 1 24 GLU H 3.500 . 3.500 2.741 2.638 2.821 . 0 0 "[ . 1 . 2]" 1
113 1 21 TRP HA 1 24 GLU QB 5.500 . 5.500 2.187 1.927 2.454 . 0 0 "[ . 1 . 2]" 1
114 1 21 TRP HA 1 25 THR H 4.500 . 4.500 4.260 4.043 4.497 . 0 0 "[ . 1 . 2]" 1
115 1 21 TRP QB 1 22 SER H 5.500 . 5.500 3.444 3.306 3.627 . 0 0 "[ . 1 . 2]" 1
116 1 21 TRP QB 1 22 SER HA 5.500 . 5.500 4.311 4.202 4.455 . 0 0 "[ . 1 . 2]" 1
117 1 21 TRP HH2 1 55 TRP HE3 9.800 . 9.800 6.923 6.575 7.255 . 0 0 "[ . 1 . 2]" 1
118 1 21 TRP HH2 1 55 TRP HH2 9.800 . 9.800 7.076 6.349 7.807 . 0 0 "[ . 1 . 2]" 1
119 1 21 TRP HH2 1 59 ARG QG 5.500 . 5.500 4.960 4.842 5.063 . 0 0 "[ . 1 . 2]" 1
120 1 21 TRP HZ2 1 55 TRP HD1 4.500 . 4.500 4.704 4.627 4.798 0.298 14 0 "[ . 1 . 2]" 1
121 1 21 TRP HZ3 1 23 LEU MD1 5.500 . 5.500 4.565 4.464 4.661 . 0 0 "[ . 1 . 2]" 1
122 1 22 SER H 1 22 SER HA 2.800 . 2.800 2.914 2.889 2.943 0.143 10 0 "[ . 1 . 2]" 1
123 1 22 SER H 1 24 GLU H 4.500 . 4.500 3.738 3.567 3.859 . 0 0 "[ . 1 . 2]" 1
124 1 22 SER HA 1 24 GLU H 4.500 . 4.500 4.274 4.171 4.442 . 0 0 "[ . 1 . 2]" 1
125 1 22 SER HA 1 25 THR H 4.500 . 4.500 3.225 2.987 3.447 . 0 0 "[ . 1 . 2]" 1
126 1 22 SER HA 1 25 THR HB 4.500 . 4.500 3.539 2.823 4.486 . 0 0 "[ . 1 . 2]" 1
127 1 22 SER HA 1 26 MET H 4.500 . 4.500 4.567 4.496 4.640 0.140 2 0 "[ . 1 . 2]" 1
128 1 22 SER O 1 26 MET H 2.300 . 2.300 2.331 2.236 2.388 0.088 15 0 "[ . 1 . 2]" 1
129 1 22 SER O 1 26 MET N 3.300 2.500 3.300 3.187 3.132 3.295 . 0 0 "[ . 1 . 2]" 1
130 1 23 LEU H 1 23 LEU MD1 5.500 . 5.500 3.164 3.085 3.219 . 0 0 "[ . 1 . 2]" 1
131 1 23 LEU H 1 23 LEU MD2 5.500 . 5.500 3.708 3.584 3.841 . 0 0 "[ . 1 . 2]" 1
132 1 23 LEU H 1 23 LEU HG 2.800 . 2.800 2.191 2.076 2.348 . 0 0 "[ . 1 . 2]" 1
133 1 23 LEU H 1 24 GLU H 3.500 . 3.500 2.622 2.516 2.711 . 0 0 "[ . 1 . 2]" 1
134 1 23 LEU HA 1 24 GLU H 3.500 . 3.500 3.529 3.516 3.540 0.040 9 0 "[ . 1 . 2]" 1
135 1 23 LEU HA 1 26 MET H 3.500 . 3.500 3.541 3.417 3.614 0.114 15 0 "[ . 1 . 2]" 1
136 1 23 LEU HA 1 26 MET QB 5.500 . 5.500 2.900 2.655 3.187 . 0 0 "[ . 1 . 2]" 1
137 1 23 LEU HA 1 27 PHE H 4.500 . 4.500 4.514 4.425 4.571 0.071 9 0 "[ . 1 . 2]" 1
138 1 23 LEU HB2 1 24 GLU H 4.500 . 4.500 2.282 2.115 2.392 . 0 0 "[ . 1 . 2]" 1
139 1 23 LEU HB2 1 55 TRP HE3 4.500 . 4.500 4.495 4.004 4.720 0.220 5 0 "[ . 1 . 2]" 1
140 1 23 LEU HB2 1 55 TRP HH2 4.500 . 4.500 3.055 2.411 4.001 . 0 0 "[ . 1 . 2]" 1
141 1 23 LEU HB2 1 55 TRP HZ3 4.500 . 4.500 3.694 2.426 4.132 . 0 0 "[ . 1 . 2]" 1
142 1 23 LEU HB3 1 24 GLU H 4.500 . 4.500 3.452 3.343 3.540 . 0 0 "[ . 1 . 2]" 1
143 1 23 LEU HB3 1 27 PHE QD 6.700 . 6.700 2.795 2.535 4.034 . 0 0 "[ . 1 . 2]" 1
144 1 23 LEU HB3 1 27 PHE QE 6.700 . 6.700 2.578 2.074 3.989 . 0 0 "[ . 1 . 2]" 1
145 1 23 LEU HB3 1 52 VAL MG2 5.500 . 5.500 4.251 3.572 4.563 . 0 0 "[ . 1 . 2]" 1
146 1 23 LEU HB3 1 55 TRP HE3 4.500 . 4.500 4.076 3.628 4.245 . 0 0 "[ . 1 . 2]" 1
147 1 23 LEU HB3 1 55 TRP HH2 4.500 . 4.500 3.011 2.691 3.582 . 0 0 "[ . 1 . 2]" 1
148 1 23 LEU HB3 1 55 TRP HZ3 4.500 . 4.500 2.771 2.180 3.030 . 0 0 "[ . 1 . 2]" 1
149 1 23 LEU MD1 1 27 PHE QE 7.700 . 7.700 4.137 3.591 5.531 . 0 0 "[ . 1 . 2]" 1
150 1 23 LEU MD1 1 45 LEU MD1 6.500 . 6.500 1.877 1.734 2.361 0.066 3 0 "[ . 1 . 2]" 1
151 1 23 LEU MD1 1 45 LEU MD2 6.500 . 6.500 3.173 2.861 3.542 . 0 0 "[ . 1 . 2]" 1
152 1 23 LEU MD1 1 47 LEU MD2 6.500 . 6.500 4.101 3.140 4.287 . 0 0 "[ . 1 . 2]" 1
153 1 23 LEU MD1 1 52 VAL MG2 6.500 . 6.500 2.762 1.976 3.300 . 0 0 "[ . 1 . 2]" 1
154 1 23 LEU MD1 1 55 TRP HZ3 5.500 . 5.500 3.903 3.054 4.482 . 0 0 "[ . 1 . 2]" 1
155 1 23 LEU MD2 1 27 PHE QD 7.700 . 7.700 3.951 3.554 4.490 . 0 0 "[ . 1 . 2]" 1
156 1 23 LEU MD2 1 27 PHE QE 7.700 . 7.700 2.561 2.185 3.498 . 0 0 "[ . 1 . 2]" 1
157 1 23 LEU MD2 1 27 PHE HZ 5.500 . 5.500 4.112 3.751 4.418 . 0 0 "[ . 1 . 2]" 1
158 1 23 LEU MD2 1 38 ILE MD 6.500 . 6.500 4.554 4.501 4.618 . 0 0 "[ . 1 . 2]" 1
159 1 23 LEU MD2 1 41 ILE MD 6.500 . 6.500 3.978 3.589 4.341 . 0 0 "[ . 1 . 2]" 1
160 1 23 LEU MD2 1 41 ILE MG 6.500 . 6.500 2.361 2.040 2.586 . 0 0 "[ . 1 . 2]" 1
161 1 23 LEU MD2 1 45 LEU MD1 6.500 . 6.500 2.122 1.917 2.626 . 0 0 "[ . 1 . 2]" 1
162 1 23 LEU MD2 1 45 LEU MD2 6.500 . 6.500 2.042 1.807 2.649 . 0 0 "[ . 1 . 2]" 1
163 1 23 LEU MD2 1 47 LEU MD2 6.500 . 6.500 3.691 3.414 4.231 . 0 0 "[ . 1 . 2]" 1
164 1 23 LEU MD2 1 52 VAL MG2 6.500 . 6.500 2.581 1.954 3.065 . 0 0 "[ . 1 . 2]" 1
165 1 23 LEU MD2 1 55 TRP HE3 5.500 . 5.500 4.303 3.852 4.490 . 0 0 "[ . 1 . 2]" 1
166 1 23 LEU MD2 1 55 TRP HZ3 5.500 . 5.500 3.800 3.206 4.059 . 0 0 "[ . 1 . 2]" 1
167 1 23 LEU O 1 27 PHE H 2.300 . 2.300 2.165 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
168 1 23 LEU O 1 27 PHE N 3.300 2.500 3.300 2.970 2.855 3.084 . 0 0 "[ . 1 . 2]" 1
169 1 24 GLU H 1 24 GLU HA 2.800 . 2.800 2.825 2.790 2.851 0.051 3 0 "[ . 1 . 2]" 1
170 1 24 GLU H 1 24 GLU QG 4.500 . 4.500 3.726 3.152 3.973 . 0 0 "[ . 1 . 2]" 1
171 1 24 GLU H 1 25 THR H 3.500 . 3.500 2.889 2.699 3.093 . 0 0 "[ . 1 . 2]" 1
172 1 24 GLU H 1 26 MET H 4.500 . 4.500 4.164 3.996 4.469 . 0 0 "[ . 1 . 2]" 1
173 1 24 GLU HA 1 27 PHE H 4.500 . 4.500 3.336 3.015 3.618 . 0 0 "[ . 1 . 2]" 1
174 1 24 GLU HA 1 27 PHE HB2 4.500 . 4.500 2.789 2.338 2.991 . 0 0 "[ . 1 . 2]" 1
175 1 24 GLU HA 1 27 PHE HB3 4.500 . 4.500 4.415 3.981 4.578 0.078 13 0 "[ . 1 . 2]" 1
176 1 24 GLU HA 1 28 LEU H 4.500 . 4.500 4.230 3.879 4.417 . 0 0 "[ . 1 . 2]" 1
177 1 24 GLU QB 1 25 THR H 4.500 . 4.500 2.494 2.188 2.893 . 0 0 "[ . 1 . 2]" 1
178 1 24 GLU QG 1 25 THR H 5.500 . 5.500 4.094 3.673 4.496 . 0 0 "[ . 1 . 2]" 1
179 1 24 GLU O 1 28 LEU H 2.300 . 2.300 2.217 2.153 2.338 0.038 4 0 "[ . 1 . 2]" 1
180 1 24 GLU O 1 28 LEU N 3.300 2.500 3.300 2.986 2.871 3.158 . 0 0 "[ . 1 . 2]" 1
181 1 25 THR H 1 26 MET H 4.500 . 4.500 2.672 2.554 2.797 . 0 0 "[ . 1 . 2]" 1
182 1 25 THR HA 1 26 MET H 3.500 . 3.500 3.516 3.492 3.564 0.064 4 0 "[ . 1 . 2]" 1
183 1 25 THR HA 1 28 LEU H 4.500 . 4.500 3.651 3.330 3.927 . 0 0 "[ . 1 . 2]" 1
184 1 25 THR HA 1 28 LEU QB 5.500 . 5.500 3.048 2.635 3.382 . 0 0 "[ . 1 . 2]" 1
185 1 25 THR HA 1 28 LEU QD 6.900 . 6.900 3.051 2.229 3.780 . 0 0 "[ . 1 . 2]" 1
186 1 25 THR MG 1 26 MET H 5.500 . 5.500 3.643 2.102 4.238 . 0 0 "[ . 1 . 2]" 1
187 1 26 MET H 1 26 MET QG 4.500 . 4.500 3.204 2.197 4.094 . 0 0 "[ . 1 . 2]" 1
188 1 26 MET H 1 27 PHE H 3.500 . 3.500 2.478 2.379 2.746 . 0 0 "[ . 1 . 2]" 1
189 1 26 MET H 1 28 LEU H 4.500 . 4.500 3.975 3.861 4.219 . 0 0 "[ . 1 . 2]" 1
190 1 26 MET QB 1 27 PHE H 4.500 . 4.500 2.937 2.788 3.126 . 0 0 "[ . 1 . 2]" 1
191 1 27 PHE H 1 28 LEU H 3.500 . 3.500 2.372 2.301 2.446 . 0 0 "[ . 1 . 2]" 1
192 1 27 PHE H 1 28 LEU QB 5.500 . 5.500 4.395 4.317 4.477 . 0 0 "[ . 1 . 2]" 1
193 1 27 PHE H 1 28 LEU HG 5.500 . 5.500 3.897 3.661 4.177 . 0 0 "[ . 1 . 2]" 1
194 1 27 PHE HA 1 28 LEU H 3.500 . 3.500 3.444 3.414 3.493 . 0 0 "[ . 1 . 2]" 1
195 1 27 PHE HB2 1 28 LEU H 4.500 . 4.500 3.305 3.099 3.435 . 0 0 "[ . 1 . 2]" 1
196 1 27 PHE HB2 1 59 ARG HB3 4.500 . 4.500 4.642 4.545 4.719 0.219 13 0 "[ . 1 . 2]" 1
197 1 27 PHE HB3 1 28 LEU H 4.500 . 4.500 3.942 3.683 4.077 . 0 0 "[ . 1 . 2]" 1
198 1 27 PHE HB3 1 59 ARG HB3 4.500 . 4.500 4.436 4.158 4.567 0.067 6 0 "[ . 1 . 2]" 1
199 1 27 PHE QD 1 41 ILE MD 7.700 . 7.700 4.142 3.705 4.766 . 0 0 "[ . 1 . 2]" 1
200 1 27 PHE QD 1 41 ILE QG 7.700 . 7.700 4.319 4.082 4.604 . 0 0 "[ . 1 . 2]" 1
201 1 27 PHE QD 1 41 ILE MG 7.700 . 7.700 5.150 4.720 5.686 . 0 0 "[ . 1 . 2]" 1
202 1 27 PHE QD 1 55 TRP HE3 6.700 . 6.700 4.790 4.573 6.361 . 0 0 "[ . 1 . 2]" 1
203 1 27 PHE QD 1 55 TRP HZ3 6.700 . 6.700 2.465 2.159 4.747 . 0 0 "[ . 1 . 2]" 1
204 1 27 PHE QD 1 56 PHE QE 8.900 . 8.900 2.988 2.841 3.366 . 0 0 "[ . 1 . 2]" 1
205 1 27 PHE QE 1 41 ILE MD 7.700 . 7.700 2.751 1.943 3.249 . 0 0 "[ . 1 . 2]" 1
206 1 27 PHE QE 1 41 ILE QG 7.700 . 7.700 2.415 2.272 2.670 . 0 0 "[ . 1 . 2]" 1
207 1 27 PHE QE 1 41 ILE MG 7.700 . 7.700 3.260 2.719 4.204 . 0 0 "[ . 1 . 2]" 1
208 1 27 PHE QE 1 55 TRP HE3 6.700 . 6.700 4.359 3.754 6.331 . 0 0 "[ . 1 . 2]" 1
209 1 27 PHE QE 1 55 TRP HZ3 6.700 . 6.700 2.700 2.257 5.087 . 0 0 "[ . 1 . 2]" 1
210 1 27 PHE QE 1 56 PHE QE 8.900 . 8.900 3.797 2.848 4.380 . 0 0 "[ . 1 . 2]" 1
211 1 27 PHE HZ 1 41 ILE MD 5.500 . 5.500 2.150 1.906 2.467 . 0 0 "[ . 1 . 2]" 1
212 1 27 PHE HZ 1 41 ILE QG 5.500 . 5.500 2.147 1.946 2.459 . 0 0 "[ . 1 . 2]" 1
213 1 27 PHE HZ 1 41 ILE MG 5.500 . 5.500 2.972 2.352 3.703 . 0 0 "[ . 1 . 2]" 1
214 1 28 LEU H 1 28 LEU HG 2.800 . 2.800 2.509 2.327 2.725 . 0 0 "[ . 1 . 2]" 1
215 1 28 LEU H 1 29 LYS H 3.500 . 3.500 2.775 2.480 3.417 . 0 0 "[ . 1 . 2]" 1
216 1 28 LEU HA 1 30 CYS H 4.500 . 4.500 4.375 4.135 4.568 0.068 4 0 "[ . 1 . 2]" 1
217 1 28 LEU QD 1 29 LYS H 6.900 . 6.900 4.358 4.116 4.467 . 0 0 "[ . 1 . 2]" 1
218 1 28 LEU QD 1 56 PHE QD 9.100 . 9.100 5.608 5.300 5.912 . 0 0 "[ . 1 . 2]" 1
219 1 28 LEU QD 1 56 PHE QE 9.100 . 9.100 4.239 4.085 4.695 . 0 0 "[ . 1 . 2]" 1
220 1 29 LYS H 1 30 CYS H 2.800 . 2.800 2.095 1.961 2.171 . 0 0 "[ . 1 . 2]" 1
221 1 29 LYS HA 1 30 CYS H 3.500 . 3.500 3.521 3.505 3.538 0.038 8 0 "[ . 1 . 2]" 1
222 1 29 LYS QB 1 30 CYS H 5.500 . 5.500 3.231 2.130 3.455 . 0 0 "[ . 1 . 2]" 1
223 1 29 LYS QB 1 30 CYS QB 6.500 . 6.500 4.211 3.758 4.523 . 0 0 "[ . 1 . 2]" 1
224 1 29 LYS QG 1 32 LYS QG 6.500 . 6.500 5.243 5.141 5.483 . 0 0 "[ . 1 . 2]" 1
225 1 30 CYS H 1 31 PRO QD 4.500 . 4.500 4.066 3.490 4.282 . 0 0 "[ . 1 . 2]" 1
226 1 30 CYS HA 1 31 PRO QD 5.500 . 5.500 1.936 1.902 2.072 . 0 0 "[ . 1 . 2]" 1
227 1 31 PRO QD 1 32 LYS H 5.500 . 5.500 2.881 2.469 3.337 . 0 0 "[ . 1 . 2]" 1
228 1 31 PRO QD 1 32 LYS HA 5.500 . 5.500 4.835 4.790 4.873 . 0 0 "[ . 1 . 2]" 1
229 1 31 PRO QG 1 32 LYS HA 5.500 . 5.500 4.754 4.713 4.784 . 0 0 "[ . 1 . 2]" 1
230 1 31 PRO QG 1 32 LYS QG 6.500 . 6.500 3.935 3.225 4.443 . 0 0 "[ . 1 . 2]" 1
231 1 32 LYS H 1 32 LYS QD 5.500 . 5.500 4.036 3.769 4.122 . 0 0 "[ . 1 . 2]" 1
232 1 32 LYS H 1 33 PRO QD 5.500 . 5.500 2.614 2.351 3.207 . 0 0 "[ . 1 . 2]" 1
233 1 32 LYS HA 1 33 PRO QD 5.500 . 5.500 2.465 2.193 2.656 . 0 0 "[ . 1 . 2]" 1
234 1 33 PRO QB 1 34 SER H 4.500 . 4.500 3.133 2.798 3.701 . 0 0 "[ . 1 . 2]" 1
235 1 33 PRO QG 1 38 ILE MD 6.500 . 6.500 3.816 3.412 4.262 . 0 0 "[ . 1 . 2]" 1
236 1 33 PRO QG 1 41 ILE MD 6.500 . 6.500 4.830 4.746 4.883 . 0 0 "[ . 1 . 2]" 1
237 1 34 SER H 1 34 SER HA 2.800 . 2.800 2.931 2.878 2.947 0.147 6 0 "[ . 1 . 2]" 1
238 1 34 SER H 1 37 GLN QG 4.500 . 4.500 4.089 3.968 4.179 . 0 0 "[ . 1 . 2]" 1
239 1 34 SER HA 1 35 LEU H 2.800 . 2.800 2.306 2.226 2.365 . 0 0 "[ . 1 . 2]" 1
240 1 34 SER HA 1 36 GLN H 3.500 . 3.500 3.779 3.691 3.846 0.346 2 0 "[ . 1 . 2]" 1
241 1 34 SER HA 1 37 GLN H 4.500 . 4.500 4.236 4.071 4.325 . 0 0 "[ . 1 . 2]" 1
242 1 35 LEU H 1 35 LEU HG 3.500 . 3.500 2.943 2.516 3.636 0.136 16 0 "[ . 1 . 2]" 1
243 1 35 LEU H 1 36 GLN H 3.500 . 3.500 2.544 2.497 2.593 . 0 0 "[ . 1 . 2]" 1
244 1 35 LEU H 1 36 GLN QB 5.500 . 5.500 4.356 4.231 4.735 . 0 0 "[ . 1 . 2]" 1
245 1 35 LEU HA 1 38 ILE H 4.500 . 4.500 3.075 2.916 3.230 . 0 0 "[ . 1 . 2]" 1
246 1 35 LEU HA 1 38 ILE HB 4.500 . 4.500 2.454 2.229 2.682 . 0 0 "[ . 1 . 2]" 1
247 1 35 LEU HA 1 38 ILE MD 5.500 . 5.500 4.429 4.047 4.693 . 0 0 "[ . 1 . 2]" 1
248 1 35 LEU HA 1 38 ILE MG 5.500 . 5.500 3.901 3.668 4.126 . 0 0 "[ . 1 . 2]" 1
249 1 35 LEU QB 1 36 GLN H 5.500 . 5.500 3.070 2.785 3.688 . 0 0 "[ . 1 . 2]" 1
250 1 35 LEU QD 1 38 ILE HB 6.900 . 6.900 3.897 2.601 4.577 . 0 0 "[ . 1 . 2]" 1
251 1 35 LEU HG 1 36 GLN H 4.500 . 4.500 4.185 2.797 4.696 0.196 10 0 "[ . 1 . 2]" 1
252 1 35 LEU HG 1 38 ILE HB 4.500 . 4.500 4.585 4.534 4.694 0.194 20 0 "[ . 1 . 2]" 1
253 1 35 LEU O 1 39 THR H 2.300 . 2.300 2.346 2.296 2.385 0.085 18 0 "[ . 1 . 2]" 1
254 1 35 LEU O 1 39 THR N 3.300 2.500 3.300 3.166 3.067 3.273 . 0 0 "[ . 1 . 2]" 1
255 1 36 GLN H 1 37 GLN H 3.500 . 3.500 2.433 2.381 2.468 . 0 0 "[ . 1 . 2]" 1
256 1 36 GLN HA 1 39 THR H 3.500 . 3.500 3.263 3.142 3.450 . 0 0 "[ . 1 . 2]" 1
257 1 36 GLN HA 1 39 THR HB 4.500 . 4.500 3.509 3.074 4.507 0.007 14 0 "[ . 1 . 2]" 1
258 1 36 GLN HA 1 39 THR HG1 6.900 . 6.900 2.731 1.994 3.956 . 0 0 "[ . 1 . 2]" 1
259 1 36 GLN HA 1 40 HIS H 4.500 . 4.500 4.504 4.387 4.563 0.063 12 0 "[ . 1 . 2]" 1
260 1 37 GLN H 1 37 GLN QG 4.500 . 4.500 3.994 3.960 4.053 . 0 0 "[ . 1 . 2]" 1
261 1 37 GLN H 1 38 ILE H 3.500 . 3.500 2.585 2.535 2.627 . 0 0 "[ . 1 . 2]" 1
262 1 37 GLN HA 1 40 HIS H 3.500 . 3.500 3.199 3.060 3.369 . 0 0 "[ . 1 . 2]" 1
263 1 37 GLN HA 1 40 HIS QB 5.500 . 5.500 2.536 2.235 2.893 . 0 0 "[ . 1 . 2]" 1
264 1 37 GLN HA 1 41 ILE H 4.500 . 4.500 4.272 4.046 4.421 . 0 0 "[ . 1 . 2]" 1
265 1 37 GLN QG 1 38 ILE H 5.500 . 5.500 4.044 3.879 4.310 . 0 0 "[ . 1 . 2]" 1
266 1 37 GLN QG 1 44 GLN QG 6.500 . 6.500 5.189 4.930 5.306 . 0 0 "[ . 1 . 2]" 1
267 1 37 GLN O 1 41 ILE H 2.300 . 2.300 2.194 2.146 2.227 . 0 0 "[ . 1 . 2]" 1
268 1 37 GLN O 1 41 ILE N 3.300 2.500 3.300 2.840 2.706 2.909 . 0 0 "[ . 1 . 2]" 1
269 1 38 ILE H 1 38 ILE HB 2.800 . 2.800 2.359 2.277 2.444 . 0 0 "[ . 1 . 2]" 1
270 1 38 ILE H 1 38 ILE MD 5.500 . 5.500 3.650 3.549 3.766 . 0 0 "[ . 1 . 2]" 1
271 1 38 ILE H 1 38 ILE QG 4.500 . 4.500 2.620 2.476 2.775 . 0 0 "[ . 1 . 2]" 1
272 1 38 ILE H 1 39 THR H 3.500 . 3.500 2.427 2.319 2.499 . 0 0 "[ . 1 . 2]" 1
273 1 38 ILE H 1 40 HIS H 4.500 . 4.500 3.977 3.608 4.290 . 0 0 "[ . 1 . 2]" 1
274 1 38 ILE HA 1 41 ILE H 3.500 . 3.500 3.007 2.868 3.191 . 0 0 "[ . 1 . 2]" 1
275 1 38 ILE HA 1 41 ILE HB 4.500 . 4.500 1.884 1.803 2.200 . 0 0 "[ . 1 . 2]" 1
276 1 38 ILE HA 1 41 ILE MD 5.500 . 5.500 2.035 1.921 2.369 . 0 0 "[ . 1 . 2]" 1
277 1 38 ILE HA 1 41 ILE MG 5.500 . 5.500 3.084 2.710 3.740 . 0 0 "[ . 1 . 2]" 1
278 1 38 ILE HA 1 42 ALA H 4.500 . 4.500 4.229 4.048 4.333 . 0 0 "[ . 1 . 2]" 1
279 1 38 ILE HB 1 39 THR H 4.500 . 4.500 2.939 2.817 3.055 . 0 0 "[ . 1 . 2]" 1
280 1 38 ILE MD 1 39 THR H 5.500 . 5.500 4.640 4.622 4.657 . 0 0 "[ . 1 . 2]" 1
281 1 38 ILE MD 1 52 VAL MG1 6.500 . 6.500 3.007 2.556 3.295 . 0 0 "[ . 1 . 2]" 1
282 1 38 ILE MD 1 52 VAL MG2 6.500 . 6.500 3.222 2.812 3.732 . 0 0 "[ . 1 . 2]" 1
283 1 38 ILE QG 1 39 THR H 5.500 . 5.500 4.311 4.226 4.400 . 0 0 "[ . 1 . 2]" 1
284 1 38 ILE MG 1 39 THR H 5.500 . 5.500 3.453 3.307 3.636 . 0 0 "[ . 1 . 2]" 1
285 1 38 ILE MG 1 41 ILE HB 5.500 . 5.500 3.241 2.986 3.451 . 0 0 "[ . 1 . 2]" 1
286 1 38 ILE MG 1 41 ILE QG 6.500 . 6.500 4.447 4.235 4.618 . 0 0 "[ . 1 . 2]" 1
287 1 38 ILE MG 1 41 ILE MG 6.500 . 6.500 2.815 2.549 3.309 . 0 0 "[ . 1 . 2]" 1
288 1 38 ILE MG 1 52 VAL HB 5.500 . 5.500 4.585 4.231 4.685 . 0 0 "[ . 1 . 2]" 1
289 1 38 ILE MG 1 52 VAL MG1 6.500 . 6.500 2.318 2.096 2.449 . 0 0 "[ . 1 . 2]" 1
290 1 38 ILE MG 1 52 VAL MG2 6.500 . 6.500 3.368 2.950 4.038 . 0 0 "[ . 1 . 2]" 1
291 1 38 ILE MG 1 53 ARG QB 6.500 . 6.500 4.447 3.789 4.721 . 0 0 "[ . 1 . 2]" 1
292 1 38 ILE MG 1 53 ARG QG 6.500 . 6.500 4.435 3.634 4.853 . 0 0 "[ . 1 . 2]" 1
293 1 38 ILE O 1 42 ALA H 2.300 . 2.300 2.189 2.139 2.259 . 0 0 "[ . 1 . 2]" 1
294 1 38 ILE O 1 42 ALA N 3.300 2.500 3.300 3.091 3.047 3.156 . 0 0 "[ . 1 . 2]" 1
295 1 39 THR H 1 40 HIS H 3.500 . 3.500 2.558 2.427 2.735 . 0 0 "[ . 1 . 2]" 1
296 1 39 THR HA 1 40 HIS H 3.500 . 3.500 3.534 3.515 3.565 0.065 11 0 "[ . 1 . 2]" 1
297 1 39 THR HA 1 42 ALA H 4.500 . 4.500 3.501 3.395 3.655 . 0 0 "[ . 1 . 2]" 1
298 1 39 THR HA 1 42 ALA MB 5.500 . 5.500 3.050 2.848 3.214 . 0 0 "[ . 1 . 2]" 1
299 1 39 THR HB 1 40 HIS H 3.500 . 3.500 2.619 2.282 3.328 . 0 0 "[ . 1 . 2]" 1
300 1 39 THR MG 1 40 HIS H 5.500 . 5.500 3.804 3.487 4.163 . 0 0 "[ . 1 . 2]" 1
301 1 39 THR O 1 43 ASN H 2.300 . 2.300 2.322 2.218 2.378 0.078 16 0 "[ . 1 . 2]" 1
302 1 39 THR O 1 43 ASN N 3.300 2.500 3.300 3.290 3.186 3.335 0.035 17 0 "[ . 1 . 2]" 1
303 1 40 HIS H 1 41 ILE H 3.500 . 3.500 2.499 2.418 2.600 . 0 0 "[ . 1 . 2]" 1
304 1 40 HIS H 1 41 ILE HB 4.500 . 4.500 4.283 4.138 4.457 . 0 0 "[ . 1 . 2]" 1
305 1 40 HIS HA 1 42 ALA H 4.500 . 4.500 4.277 4.179 4.424 . 0 0 "[ . 1 . 2]" 1
306 1 40 HIS HA 1 43 ASN H 4.500 . 4.500 3.334 3.179 3.489 . 0 0 "[ . 1 . 2]" 1
307 1 40 HIS HA 1 43 ASN QB 5.500 . 5.500 2.679 2.469 2.996 . 0 0 "[ . 1 . 2]" 1
308 1 40 HIS HA 1 44 GLN H 4.500 . 4.500 4.088 4.019 4.210 . 0 0 "[ . 1 . 2]" 1
309 1 40 HIS HA 1 44 GLN QB 5.500 . 5.500 4.682 4.638 4.741 . 0 0 "[ . 1 . 2]" 1
310 1 40 HIS QB 1 41 ILE H 5.500 . 5.500 3.014 2.932 3.146 . 0 0 "[ . 1 . 2]" 1
311 1 40 HIS O 1 44 GLN H 2.300 . 2.300 2.214 2.164 2.260 . 0 0 "[ . 1 . 2]" 1
312 1 40 HIS O 1 44 GLN N 3.300 2.500 3.300 2.812 2.721 2.866 . 0 0 "[ . 1 . 2]" 1
313 1 41 ILE H 1 41 ILE HB 3.500 . 3.500 2.071 2.014 2.215 . 0 0 "[ . 1 . 2]" 1
314 1 41 ILE H 1 41 ILE MD 5.500 . 5.500 2.964 2.501 3.237 . 0 0 "[ . 1 . 2]" 1
315 1 41 ILE H 1 41 ILE QG 4.500 . 4.500 3.712 3.610 3.851 . 0 0 "[ . 1 . 2]" 1
316 1 41 ILE H 1 42 ALA H 4.500 . 4.500 2.511 2.421 2.620 . 0 0 "[ . 1 . 2]" 1
317 1 41 ILE H 1 44 GLN QB 5.500 . 5.500 4.147 4.067 4.430 . 0 0 "[ . 1 . 2]" 1
318 1 41 ILE HA 1 44 GLN H 4.500 . 4.500 3.328 3.217 3.378 . 0 0 "[ . 1 . 2]" 1
319 1 41 ILE HA 1 44 GLN QB 5.500 . 5.500 1.929 1.870 2.330 . 0 0 "[ . 1 . 2]" 1
320 1 41 ILE HA 1 44 GLN QG 5.500 . 5.500 2.887 2.177 3.097 . 0 0 "[ . 1 . 2]" 1
321 1 41 ILE HA 1 45 LEU H 4.500 . 4.500 4.527 4.418 4.573 0.073 14 0 "[ . 1 . 2]" 1
322 1 41 ILE HB 1 42 ALA H 3.500 . 3.500 2.995 2.776 3.091 . 0 0 "[ . 1 . 2]" 1
323 1 41 ILE HB 1 42 ALA MB 5.500 . 5.500 4.501 4.387 4.597 . 0 0 "[ . 1 . 2]" 1
324 1 41 ILE HB 1 52 VAL MG2 5.500 . 5.500 3.844 3.214 4.019 . 0 0 "[ . 1 . 2]" 1
325 1 41 ILE MD 1 42 ALA H 5.500 . 5.500 4.512 4.248 4.615 . 0 0 "[ . 1 . 2]" 1
326 1 41 ILE MD 1 44 GLN QG 6.500 . 6.500 4.133 3.677 4.373 . 0 0 "[ . 1 . 2]" 1
327 1 41 ILE QG 1 42 ALA H 5.500 . 5.500 4.444 4.367 4.516 . 0 0 "[ . 1 . 2]" 1
328 1 41 ILE QG 1 55 TRP HZ3 5.500 . 5.500 4.752 4.638 5.011 . 0 0 "[ . 1 . 2]" 1
329 1 41 ILE MG 1 45 LEU MD1 6.500 . 6.500 3.671 2.957 4.159 . 0 0 "[ . 1 . 2]" 1
330 1 41 ILE MG 1 45 LEU MD2 6.500 . 6.500 2.315 1.757 2.588 0.043 18 0 "[ . 1 . 2]" 1
331 1 41 ILE MG 1 47 LEU MD1 6.500 . 6.500 3.740 3.503 4.668 . 0 0 "[ . 1 . 2]" 1
332 1 41 ILE MG 1 47 LEU MD2 6.500 . 6.500 2.939 2.609 4.083 . 0 0 "[ . 1 . 2]" 1
333 1 41 ILE MG 1 49 LYS QG 6.500 . 6.500 4.560 3.601 4.772 . 0 0 "[ . 1 . 2]" 1
334 1 41 ILE MG 1 51 VAL MG1 9.800 . 9.800 5.275 4.415 5.587 . 0 0 "[ . 1 . 2]" 1
335 1 41 ILE MG 1 51 VAL MG2 9.800 . 9.800 6.417 5.913 6.857 . 0 0 "[ . 1 . 2]" 1
336 1 41 ILE MG 1 52 VAL HB 5.500 . 5.500 3.495 2.723 3.670 . 0 0 "[ . 1 . 2]" 1
337 1 41 ILE O 1 45 LEU H 2.300 . 2.300 2.282 2.193 2.335 0.035 12 0 "[ . 1 . 2]" 1
338 1 41 ILE O 1 45 LEU N 3.300 2.500 3.300 3.039 2.827 3.139 . 0 0 "[ . 1 . 2]" 1
339 1 42 ALA H 1 43 ASN H 3.500 . 3.500 2.810 2.719 3.004 . 0 0 "[ . 1 . 2]" 1
340 1 42 ALA H 1 44 GLN H 3.500 . 3.500 3.617 3.575 3.716 0.216 18 0 "[ . 1 . 2]" 1
341 1 42 ALA HA 1 43 ASN H 3.500 . 3.500 3.562 3.549 3.576 0.076 18 0 "[ . 1 . 2]" 1
342 1 42 ALA HA 1 45 LEU H 4.500 . 4.500 3.389 3.329 3.489 . 0 0 "[ . 1 . 2]" 1
343 1 42 ALA HA 1 45 LEU QB 5.500 . 5.500 4.993 4.952 5.047 . 0 0 "[ . 1 . 2]" 1
344 1 42 ALA HA 1 45 LEU MD2 5.500 . 5.500 2.146 2.026 3.394 . 0 0 "[ . 1 . 2]" 1
345 1 42 ALA HA 1 46 GLY H 4.500 . 4.500 4.443 4.313 4.524 0.024 15 0 "[ . 1 . 2]" 1
346 1 42 ALA HA 1 47 LEU H 4.500 . 4.500 3.182 2.707 3.480 . 0 0 "[ . 1 . 2]" 1
347 1 42 ALA HA 1 47 LEU QB 5.500 . 5.500 4.384 3.022 4.707 . 0 0 "[ . 1 . 2]" 1
348 1 42 ALA HA 1 52 VAL MG1 5.500 . 5.500 4.267 4.001 4.465 . 0 0 "[ . 1 . 2]" 1
349 1 42 ALA MB 1 48 GLU HA 5.500 . 5.500 3.796 2.362 4.291 . 0 0 "[ . 1 . 2]" 1
350 1 42 ALA MB 1 52 VAL HB 5.500 . 5.500 4.010 3.687 4.338 . 0 0 "[ . 1 . 2]" 1
351 1 42 ALA MB 1 52 VAL MG2 6.500 . 6.500 3.774 3.368 4.376 . 0 0 "[ . 1 . 2]" 1
352 1 43 ASN H 1 43 ASN HA 2.800 . 2.800 2.866 2.860 2.870 0.070 18 0 "[ . 1 . 2]" 1
353 1 43 ASN H 1 44 GLN H 4.500 . 4.500 2.575 2.554 2.593 . 0 0 "[ . 1 . 2]" 1
354 1 43 ASN H 1 45 LEU H 4.500 . 4.500 4.370 4.274 4.486 . 0 0 "[ . 1 . 2]" 1
355 1 43 ASN HA 1 44 GLN H 3.500 . 3.500 3.457 3.442 3.477 . 0 0 "[ . 1 . 2]" 1
356 1 43 ASN HA 1 46 GLY H 4.500 . 4.500 3.318 3.164 3.559 . 0 0 "[ . 1 . 2]" 1
357 1 43 ASN QB 1 44 GLN H 4.500 . 4.500 3.031 2.952 3.114 . 0 0 "[ . 1 . 2]" 1
358 1 43 ASN QB 1 45 LEU H 5.500 . 5.500 4.921 4.847 5.025 . 0 0 "[ . 1 . 2]" 1
359 1 44 GLN H 1 44 GLN QB 3.400 . 3.400 2.066 2.002 2.257 . 0 0 "[ . 1 . 2]" 1
360 1 44 GLN H 1 44 GLN QG 4.500 . 4.500 3.285 2.899 3.891 . 0 0 "[ . 1 . 2]" 1
361 1 44 GLN H 1 45 LEU H 4.500 . 4.500 2.587 2.536 2.660 . 0 0 "[ . 1 . 2]" 1
362 1 44 GLN HA 1 45 LEU H 3.500 . 3.500 3.543 3.496 3.581 0.081 17 0 "[ . 1 . 2]" 1
363 1 44 GLN HA 1 45 LEU MD2 5.500 . 5.500 4.594 4.187 4.662 . 0 0 "[ . 1 . 2]" 1
364 1 44 GLN QB 1 45 LEU H 4.500 . 4.500 2.920 2.654 3.644 . 0 0 "[ . 1 . 2]" 1
365 1 45 LEU H 1 45 LEU MD1 5.500 . 5.500 4.168 3.793 4.301 . 0 0 "[ . 1 . 2]" 1
366 1 45 LEU H 1 45 LEU MD2 5.500 . 5.500 1.949 1.890 2.166 . 0 0 "[ . 1 . 2]" 1
367 1 45 LEU H 1 45 LEU HG 3.500 . 3.500 3.230 2.125 3.496 . 0 0 "[ . 1 . 2]" 1
368 1 45 LEU H 1 46 GLY H 3.500 . 3.500 2.310 2.117 2.415 . 0 0 "[ . 1 . 2]" 1
369 1 45 LEU H 1 47 LEU H 4.500 . 4.500 3.442 3.105 3.539 . 0 0 "[ . 1 . 2]" 1
370 1 45 LEU HA 1 47 LEU H 4.500 . 4.500 4.579 4.507 4.728 0.228 17 0 "[ . 1 . 2]" 1
371 1 45 LEU QB 1 46 GLY H 5.500 . 5.500 4.038 3.879 4.054 . 0 0 "[ . 1 . 2]" 1
372 1 45 LEU QB 1 47 LEU QB 6.500 . 6.500 3.820 3.606 4.557 . 0 0 "[ . 1 . 2]" 1
373 1 45 LEU QB 1 47 LEU MD1 6.500 . 6.500 3.885 1.807 4.171 . 0 0 "[ . 1 . 2]" 1
374 1 45 LEU QB 1 47 LEU MD2 6.500 . 6.500 3.869 3.501 4.307 . 0 0 "[ . 1 . 2]" 1
375 1 45 LEU QB 1 52 VAL MG2 6.500 . 6.500 4.780 4.548 4.823 . 0 0 "[ . 1 . 2]" 1
376 1 45 LEU MD1 1 47 LEU MD1 6.500 . 6.500 1.766 1.661 1.865 0.139 20 0 "[ . 1 . 2]" 1
377 1 45 LEU MD1 1 47 LEU MD2 6.500 . 6.500 2.689 1.866 2.880 . 0 0 "[ . 1 . 2]" 1
378 1 45 LEU MD1 1 51 VAL MG2 6.500 . 6.500 4.220 3.966 4.455 . 0 0 "[ . 1 . 2]" 1
379 1 45 LEU MD2 1 47 LEU MD1 6.500 . 6.500 2.313 2.080 3.272 . 0 0 "[ . 1 . 2]" 1
380 1 45 LEU MD2 1 47 LEU MD2 6.500 . 6.500 1.861 1.674 3.260 0.126 7 0 "[ . 1 . 2]" 1
381 1 45 LEU MD2 1 51 VAL MG1 6.500 . 6.500 4.442 4.216 4.734 . 0 0 "[ . 1 . 2]" 1
382 1 45 LEU MD2 1 52 VAL MG1 6.500 . 6.500 4.268 4.139 4.389 . 0 0 "[ . 1 . 2]" 1
383 1 45 LEU MD2 1 52 VAL MG2 6.500 . 6.500 2.302 2.223 2.477 . 0 0 "[ . 1 . 2]" 1
384 1 46 GLY H 1 47 LEU H 3.500 . 3.500 2.982 2.498 3.117 . 0 0 "[ . 1 . 2]" 1
385 1 47 LEU H 1 47 LEU MD1 5.500 . 5.500 3.786 1.873 4.003 . 0 0 "[ . 1 . 2]" 1
386 1 47 LEU H 1 47 LEU MD2 5.500 . 5.500 1.965 1.793 4.418 0.007 10 0 "[ . 1 . 2]" 1
387 1 47 LEU H 1 47 LEU HG 4.500 . 4.500 4.007 3.838 4.328 . 0 0 "[ . 1 . 2]" 1
388 1 47 LEU H 1 48 GLU H 4.500 . 4.500 4.526 4.366 4.556 0.056 12 0 "[ . 1 . 2]" 1
389 1 47 LEU HA 1 48 GLU H 3.500 . 3.500 2.574 2.251 2.804 . 0 0 "[ . 1 . 2]" 1
390 1 47 LEU QB 1 48 GLU H 4.500 . 4.500 2.493 1.738 3.258 0.062 17 0 "[ . 1 . 2]" 1
391 1 47 LEU QB 1 51 VAL H 5.500 . 5.500 4.852 4.430 4.946 . 0 0 "[ . 1 . 2]" 1
392 1 47 LEU QB 1 52 VAL H 5.500 . 5.500 4.722 3.232 4.899 . 0 0 "[ . 1 . 2]" 1
393 1 47 LEU MD1 1 48 GLU H 5.500 . 5.500 3.794 3.654 4.451 . 0 0 "[ . 1 . 2]" 1
394 1 47 LEU MD2 1 48 GLU H 5.500 . 5.500 3.465 2.628 4.471 . 0 0 "[ . 1 . 2]" 1
395 1 47 LEU MD2 1 52 VAL MG1 6.500 . 6.500 3.271 3.035 4.356 . 0 0 "[ . 1 . 2]" 1
396 1 47 LEU MD2 1 52 VAL MG2 6.500 . 6.500 2.010 1.836 2.938 . 0 0 "[ . 1 . 2]" 1
397 1 47 LEU HG 1 48 GLU H 3.500 . 3.500 2.455 2.178 3.807 0.307 17 0 "[ . 1 . 2]" 1
398 1 48 GLU H 1 48 GLU QG 4.500 . 4.500 3.417 1.907 4.093 . 0 0 "[ . 1 . 2]" 1
399 1 48 GLU H 1 49 LYS H 4.500 . 4.500 4.569 4.492 4.611 0.111 18 0 "[ . 1 . 2]" 1
400 1 48 GLU HA 1 49 LYS H 2.800 . 2.800 2.367 2.261 2.711 . 0 0 "[ . 1 . 2]" 1
401 1 48 GLU HA 1 50 ASP H 4.500 . 4.500 3.973 3.879 4.313 . 0 0 "[ . 1 . 2]" 1
402 1 48 GLU QB 1 49 LYS H 4.500 . 4.500 3.095 1.945 3.599 . 0 0 "[ . 1 . 2]" 1
403 1 48 GLU QB 1 51 VAL H 5.500 . 5.500 3.001 2.582 3.852 . 0 0 "[ . 1 . 2]" 1
404 1 48 GLU QB 1 52 VAL H 5.500 . 5.500 4.635 4.395 5.064 . 0 0 "[ . 1 . 2]" 1
405 1 48 GLU QG 1 49 LYS H 4.500 . 4.500 2.658 1.987 3.983 . 0 0 "[ . 1 . 2]" 1
406 1 48 GLU QG 1 49 LYS HA 5.500 . 5.500 4.523 4.220 4.787 . 0 0 "[ . 1 . 2]" 1
407 1 48 GLU QG 1 50 ASP H 4.500 . 4.500 2.350 1.963 2.792 . 0 0 "[ . 1 . 2]" 1
408 1 48 GLU QG 1 51 VAL MG1 6.500 . 6.500 3.703 1.806 4.715 . 0 0 "[ . 1 . 2]" 1
409 1 49 LYS H 1 49 LYS QG 4.500 . 4.500 3.442 2.110 4.045 . 0 0 "[ . 1 . 2]" 1
410 1 49 LYS H 1 50 ASP H 3.500 . 3.500 2.685 2.358 2.803 . 0 0 "[ . 1 . 2]" 1
411 1 49 LYS H 1 51 VAL H 4.500 . 4.500 4.526 4.292 4.587 0.087 16 0 "[ . 1 . 2]" 1
412 1 49 LYS HA 1 52 VAL H 4.500 . 4.500 3.321 3.224 3.421 . 0 0 "[ . 1 . 2]" 1
413 1 49 LYS HA 1 52 VAL HB 4.500 . 4.500 2.906 2.841 3.014 . 0 0 "[ . 1 . 2]" 1
414 1 49 LYS HA 1 52 VAL MG1 5.500 . 5.500 2.079 1.864 2.488 . 0 0 "[ . 1 . 2]" 1
415 1 49 LYS HA 1 52 VAL MG2 5.500 . 5.500 4.082 3.952 4.283 . 0 0 "[ . 1 . 2]" 1
416 1 49 LYS HA 1 53 ARG H 4.500 . 4.500 3.988 3.677 4.214 . 0 0 "[ . 1 . 2]" 1
417 1 49 LYS QB 1 50 ASP H 5.500 . 5.500 3.101 2.961 3.339 . 0 0 "[ . 1 . 2]" 1
418 1 49 LYS QB 1 52 VAL HB 5.500 . 5.500 4.973 4.902 5.039 . 0 0 "[ . 1 . 2]" 1
419 1 49 LYS QD 1 50 ASP H 5.500 . 5.500 4.525 3.776 4.920 . 0 0 "[ . 1 . 2]" 1
420 1 49 LYS QG 1 50 ASP H 5.500 . 5.500 4.464 4.243 4.705 . 0 0 "[ . 1 . 2]" 1
421 1 49 LYS O 1 53 ARG H 2.300 . 2.300 2.267 2.211 2.354 0.054 19 0 "[ . 1 . 2]" 1
422 1 49 LYS O 1 53 ARG N 3.300 2.500 3.300 3.067 2.984 3.170 . 0 0 "[ . 1 . 2]" 1
423 1 50 ASP H 1 51 VAL H 3.500 . 3.500 2.576 2.423 2.653 . 0 0 "[ . 1 . 2]" 1
424 1 50 ASP HA 1 53 ARG H 3.500 . 3.500 3.552 3.297 3.606 0.106 16 0 "[ . 1 . 2]" 1
425 1 50 ASP HA 1 53 ARG QB 5.500 . 5.500 3.054 2.498 3.241 . 0 0 "[ . 1 . 2]" 1
426 1 50 ASP HA 1 54 VAL H 4.500 . 4.500 4.149 3.843 4.451 . 0 0 "[ . 1 . 2]" 1
427 1 50 ASP O 1 54 VAL H 2.300 . 2.300 2.323 2.244 2.371 0.071 10 0 "[ . 1 . 2]" 1
428 1 50 ASP O 1 54 VAL N 3.300 2.500 3.300 3.250 3.132 3.339 0.039 10 0 "[ . 1 . 2]" 1
429 1 51 VAL H 1 51 VAL HB 2.800 . 2.800 2.705 2.394 2.815 0.015 12 0 "[ . 1 . 2]" 1
430 1 51 VAL H 1 51 VAL MG1 4.500 . 4.500 2.240 1.895 3.774 . 0 0 "[ . 1 . 2]" 1
431 1 51 VAL H 1 52 VAL H 2.800 . 2.800 2.360 2.251 2.510 . 0 0 "[ . 1 . 2]" 1
432 1 51 VAL H 1 52 VAL MG1 5.500 . 5.500 4.458 4.385 4.601 . 0 0 "[ . 1 . 2]" 1
433 1 51 VAL HA 1 54 VAL H 3.500 . 3.500 3.427 3.308 3.588 0.088 20 0 "[ . 1 . 2]" 1
434 1 51 VAL HA 1 54 VAL HB 4.500 . 4.500 2.911 2.684 3.446 . 0 0 "[ . 1 . 2]" 1
435 1 51 VAL HA 1 55 TRP H 4.500 . 4.500 3.938 3.653 4.461 . 0 0 "[ . 1 . 2]" 1
436 1 51 VAL MG2 1 52 VAL H 5.500 . 5.500 3.805 3.502 3.919 . 0 0 "[ . 1 . 2]" 1
437 1 51 VAL O 1 55 TRP H 2.300 . 2.300 2.288 2.213 2.369 0.069 17 0 "[ . 1 . 2]" 1
438 1 51 VAL O 1 55 TRP N 3.300 2.500 3.300 3.184 2.980 3.337 0.037 17 0 "[ . 1 . 2]" 1
439 1 52 VAL H 1 52 VAL HB 2.800 . 2.800 2.247 2.025 2.327 . 0 0 "[ . 1 . 2]" 1
440 1 52 VAL H 1 52 VAL MG1 4.500 . 4.500 2.764 2.660 3.090 . 0 0 "[ . 1 . 2]" 1
441 1 52 VAL H 1 53 ARG H 3.500 . 3.500 2.461 2.391 2.647 . 0 0 "[ . 1 . 2]" 1
442 1 52 VAL HA 1 53 ARG H 3.500 . 3.500 3.509 3.493 3.539 0.039 19 0 "[ . 1 . 2]" 1
443 1 52 VAL HA 1 55 TRP H 4.500 . 4.500 3.691 3.471 3.881 . 0 0 "[ . 1 . 2]" 1
444 1 52 VAL HA 1 55 TRP HB2 4.500 . 4.500 4.200 3.641 4.600 0.100 20 0 "[ . 1 . 2]" 1
445 1 52 VAL HA 1 55 TRP HB3 4.500 . 4.500 2.896 2.401 3.241 . 0 0 "[ . 1 . 2]" 1
446 1 52 VAL HA 1 56 PHE H 4.500 . 4.500 4.082 3.898 4.266 . 0 0 "[ . 1 . 2]" 1
447 1 52 VAL HA 1 56 PHE QB 5.500 . 5.500 4.489 4.257 4.760 . 0 0 "[ . 1 . 2]" 1
448 1 52 VAL HB 1 53 ARG H 4.500 . 4.500 3.707 3.516 3.790 . 0 0 "[ . 1 . 2]" 1
449 1 52 VAL MG1 1 53 ARG H 5.500 . 5.500 2.299 2.096 2.639 . 0 0 "[ . 1 . 2]" 1
450 1 52 VAL MG2 1 53 ARG H 5.500 . 5.500 4.209 4.135 4.320 . 0 0 "[ . 1 . 2]" 1
451 1 52 VAL O 1 56 PHE H 2.300 . 2.300 2.279 2.216 2.359 0.059 20 0 "[ . 1 . 2]" 1
452 1 52 VAL O 1 56 PHE N 3.300 2.500 3.300 3.135 2.957 3.226 . 0 0 "[ . 1 . 2]" 1
453 1 53 ARG H 1 54 VAL H 3.500 . 3.500 2.493 2.416 2.619 . 0 0 "[ . 1 . 2]" 1
454 1 53 ARG HA 1 56 PHE H 4.500 . 4.500 3.367 3.178 3.529 . 0 0 "[ . 1 . 2]" 1
455 1 53 ARG HA 1 56 PHE QB 5.500 . 5.500 2.972 2.595 3.333 . 0 0 "[ . 1 . 2]" 1
456 1 53 ARG HA 1 57 CYS H 4.500 . 4.500 4.331 4.113 4.435 . 0 0 "[ . 1 . 2]" 1
457 1 53 ARG QB 1 56 PHE QB 6.500 . 6.500 4.792 4.376 5.101 . 0 0 "[ . 1 . 2]" 1
458 1 53 ARG QD 1 60 ARG QD 6.500 . 6.500 4.723 3.949 5.225 . 0 0 "[ . 1 . 2]" 1
459 1 53 ARG QG 1 56 PHE QB 6.500 . 6.500 3.945 3.461 4.555 . 0 0 "[ . 1 . 2]" 1
460 1 53 ARG QG 1 60 ARG QD 6.500 . 6.500 4.742 4.352 5.037 . 0 0 "[ . 1 . 2]" 1
461 1 53 ARG O 1 57 CYS H 2.300 . 2.300 2.237 2.215 2.273 . 0 0 "[ . 1 . 2]" 1
462 1 53 ARG O 1 57 CYS N 3.300 2.500 3.300 2.734 2.631 2.916 . 0 0 "[ . 1 . 2]" 1
463 1 54 VAL H 1 54 VAL HB 2.800 . 2.800 2.571 2.481 2.687 . 0 0 "[ . 1 . 2]" 1
464 1 54 VAL H 1 54 VAL MG1 4.500 . 4.500 3.783 3.769 3.801 . 0 0 "[ . 1 . 2]" 1
465 1 54 VAL H 1 55 TRP H 3.000 . 3.000 2.652 2.455 2.832 . 0 0 "[ . 1 . 2]" 1
466 1 54 VAL HA 1 57 CYS H 3.500 . 3.500 3.324 3.199 3.461 . 0 0 "[ . 1 . 2]" 1
467 1 54 VAL HA 1 57 CYS QB 5.500 . 5.500 2.364 2.132 2.667 . 0 0 "[ . 1 . 2]" 1
468 1 54 VAL HA 1 58 ASN H 4.500 . 4.500 4.597 4.459 4.713 0.213 17 0 "[ . 1 . 2]" 1
469 1 54 VAL HB 1 55 TRP H 3.500 . 3.500 2.640 2.473 2.925 . 0 0 "[ . 1 . 2]" 1
470 1 54 VAL MG1 1 55 TRP H 5.500 . 5.500 3.573 3.347 3.788 . 0 0 "[ . 1 . 2]" 1
471 1 54 VAL MG2 1 55 TRP H 5.500 . 5.500 3.812 3.716 3.908 . 0 0 "[ . 1 . 2]" 1
472 1 55 TRP H 1 55 TRP QB 3.400 . 3.400 2.267 2.220 2.309 . 0 0 "[ . 1 . 2]" 1
473 1 55 TRP H 1 56 PHE H 3.500 . 3.500 2.597 2.499 2.758 . 0 0 "[ . 1 . 2]" 1
474 1 55 TRP H 1 57 CYS H 4.500 . 4.500 3.816 3.683 3.926 . 0 0 "[ . 1 . 2]" 1
475 1 55 TRP HA 1 58 ASN H 4.500 . 4.500 3.854 3.631 4.095 . 0 0 "[ . 1 . 2]" 1
476 1 55 TRP HA 1 58 ASN QB 5.500 . 5.500 3.880 3.402 4.618 . 0 0 "[ . 1 . 2]" 1
477 1 55 TRP HA 1 59 ARG H 4.500 . 4.500 4.553 4.426 4.713 0.213 8 0 "[ . 1 . 2]" 1
478 1 55 TRP HE3 1 56 PHE HZ 9.800 . 9.800 6.824 4.503 7.185 . 0 0 "[ . 1 . 2]" 1
479 1 55 TRP HE3 1 59 ARG QG 5.500 . 5.500 4.710 4.235 4.862 . 0 0 "[ . 1 . 2]" 1
480 1 55 TRP HH2 1 56 PHE HZ 9.800 . 9.800 5.436 3.693 6.335 . 0 0 "[ . 1 . 2]" 1
481 1 55 TRP HH2 1 59 ARG QG 5.500 . 5.500 2.964 2.773 3.495 . 0 0 "[ . 1 . 2]" 1
482 1 55 TRP HZ3 1 59 ARG HB2 4.500 . 4.500 4.430 3.938 4.749 0.249 6 0 "[ . 1 . 2]" 1
483 1 55 TRP HZ3 1 59 ARG HB3 4.500 . 4.500 4.501 3.952 4.780 0.280 18 0 "[ . 1 . 2]" 1
484 1 56 PHE H 1 57 CYS H 3.500 . 3.500 2.536 2.371 2.704 . 0 0 "[ . 1 . 2]" 1
485 1 56 PHE HA 1 59 ARG H 4.500 . 4.500 2.726 2.554 2.957 . 0 0 "[ . 1 . 2]" 1
486 1 56 PHE HA 1 59 ARG HB2 4.500 . 4.500 1.953 1.901 2.112 . 0 0 "[ . 1 . 2]" 1
487 1 56 PHE HA 1 59 ARG HB3 4.500 . 4.500 2.765 2.634 2.933 . 0 0 "[ . 1 . 2]" 1
488 1 56 PHE HA 1 60 ARG H 4.500 . 4.500 3.714 3.424 4.042 . 0 0 "[ . 1 . 2]" 1
489 1 56 PHE QB 1 57 CYS H 4.500 . 4.500 3.404 3.236 3.528 . 0 0 "[ . 1 . 2]" 1
490 1 56 PHE QB 1 59 ARG H 5.500 . 5.500 4.645 4.407 4.856 . 0 0 "[ . 1 . 2]" 1
491 1 56 PHE QB 1 60 ARG QB 6.500 . 6.500 4.417 3.526 4.880 . 0 0 "[ . 1 . 2]" 1
492 1 56 PHE QB 1 60 ARG QG 6.500 . 6.500 4.129 3.332 4.686 . 0 0 "[ . 1 . 2]" 1
493 1 56 PHE QD 1 59 ARG QG 7.700 . 7.700 3.033 2.746 4.437 . 0 0 "[ . 1 . 2]" 1
494 1 56 PHE QE 1 59 ARG QG 7.700 . 7.700 2.980 2.631 4.259 . 0 0 "[ . 1 . 2]" 1
495 1 56 PHE HZ 1 59 ARG QG 5.500 . 5.500 4.955 4.628 5.158 . 0 0 "[ . 1 . 2]" 1
496 1 57 CYS H 1 58 ASN H 3.500 . 3.500 2.366 2.250 2.575 . 0 0 "[ . 1 . 2]" 1
497 1 57 CYS H 1 59 ARG H 4.500 . 4.500 3.573 3.319 3.822 . 0 0 "[ . 1 . 2]" 1
498 1 57 CYS HA 1 59 ARG H 4.500 . 4.500 4.407 4.137 4.538 0.038 8 0 "[ . 1 . 2]" 1
499 1 57 CYS HA 1 60 ARG H 3.500 . 3.500 3.595 3.485 3.676 0.176 20 0 "[ . 1 . 2]" 1
500 1 57 CYS HA 1 60 ARG QB 5.500 . 5.500 3.189 2.559 3.930 . 0 0 "[ . 1 . 2]" 1
501 1 57 CYS HA 1 61 GLN H 4.500 . 4.500 4.423 4.178 4.539 0.039 1 0 "[ . 1 . 2]" 1
502 1 57 CYS QB 1 58 ASN H 4.500 . 4.500 2.614 2.347 2.745 . 0 0 "[ . 1 . 2]" 1
503 1 58 ASN H 1 59 ARG H 3.500 . 3.500 2.360 2.241 2.544 . 0 0 "[ . 1 . 2]" 1
504 1 58 ASN HA 1 61 GLN H 4.500 . 4.500 3.302 3.107 3.697 . 0 0 "[ . 1 . 2]" 1
505 1 58 ASN HA 1 61 GLN QB 5.500 . 5.500 3.926 3.010 4.812 . 0 0 "[ . 1 . 2]" 1
506 1 58 ASN HA 1 61 GLN QG 5.500 . 5.500 3.812 2.054 4.980 . 0 0 "[ . 1 . 2]" 1
507 1 58 ASN QB 1 59 ARG H 4.500 . 4.500 2.867 2.507 3.617 . 0 0 "[ . 1 . 2]" 1
508 1 59 ARG H 1 60 ARG H 3.500 . 3.500 2.550 2.324 2.694 . 0 0 "[ . 1 . 2]" 1
509 1 59 ARG H 1 61 GLN H 4.500 . 4.500 4.184 3.822 4.529 0.029 9 0 "[ . 1 . 2]" 1
510 1 59 ARG HA 1 62 LYS H 4.500 . 4.500 4.483 4.324 4.590 0.090 17 0 "[ . 1 . 2]" 1
511 1 59 ARG HA 1 62 LYS QB 5.500 . 5.500 3.212 2.499 4.312 . 0 0 "[ . 1 . 2]" 1
512 1 60 ARG H 1 60 ARG QG 4.500 . 4.500 2.641 1.930 3.461 . 0 0 "[ . 1 . 2]" 1
513 1 60 ARG H 1 61 GLN H 3.500 . 3.500 2.353 2.202 2.568 . 0 0 "[ . 1 . 2]" 1
514 1 61 GLN H 1 61 GLN QG 4.500 . 4.500 2.727 1.931 4.077 . 0 0 "[ . 1 . 2]" 1
515 1 61 GLN H 1 62 LYS H 4.500 . 4.500 3.264 3.067 3.450 . 0 0 "[ . 1 . 2]" 1
516 1 61 GLN HA 1 62 LYS QB 5.500 . 5.500 4.881 4.640 4.994 . 0 0 "[ . 1 . 2]" 1
517 1 61 GLN HA 1 62 LYS QG 5.500 . 5.500 4.198 3.941 5.007 . 0 0 "[ . 1 . 2]" 1
518 1 61 GLN HA 1 63 GLY QA 5.500 . 5.500 4.899 4.730 5.067 . 0 0 "[ . 1 . 2]" 1
519 1 61 GLN HA 1 64 LYS H 4.500 . 4.500 3.990 3.133 4.507 0.007 10 0 "[ . 1 . 2]" 1
520 1 61 GLN HA 1 64 LYS QB 5.500 . 5.500 3.829 2.519 4.877 . 0 0 "[ . 1 . 2]" 1
521 1 61 GLN QG 1 62 LYS H 5.500 . 5.500 4.199 3.879 4.734 . 0 0 "[ . 1 . 2]" 1
522 1 62 LYS H 1 63 GLY H 4.500 . 4.500 2.448 2.347 2.923 . 0 0 "[ . 1 . 2]" 1
523 1 62 LYS HA 1 63 GLY H 3.500 . 3.500 3.449 2.943 3.511 0.011 1 0 "[ . 1 . 2]" 1
524 1 62 LYS HA 1 63 GLY QA 5.500 . 5.500 4.253 4.115 4.468 . 0 0 "[ . 1 . 2]" 1
525 1 62 LYS QB 1 63 GLY H 4.500 . 4.500 3.520 2.738 3.962 . 0 0 "[ . 1 . 2]" 1
526 1 62 LYS QG 1 63 GLY H 5.500 . 5.500 2.581 1.965 4.541 . 0 0 "[ . 1 . 2]" 1
527 1 63 GLY H 1 64 LYS H 4.500 . 4.500 2.579 2.011 3.245 . 0 0 "[ . 1 . 2]" 1
528 1 63 GLY QA 1 64 LYS HA 5.500 . 5.500 4.073 4.002 4.144 . 0 0 "[ . 1 . 2]" 1
529 1 63 GLY QA 1 66 SER QB 6.500 . 6.500 4.038 2.567 5.146 . 0 0 "[ . 1 . 2]" 1
530 1 64 LYS H 1 65 ARG H 4.500 . 4.500 2.552 2.019 2.933 . 0 0 "[ . 1 . 2]" 1
531 1 64 LYS HA 1 65 ARG H 3.500 . 3.500 3.334 2.886 3.569 0.069 16 0 "[ . 1 . 2]" 1
532 1 64 LYS HA 1 65 ARG HA 4.500 . 4.500 4.524 4.412 4.601 0.101 15 0 "[ . 1 . 2]" 1
533 1 65 ARG H 1 66 SER H 4.500 . 4.500 3.121 1.974 4.506 0.006 5 0 "[ . 1 . 2]" 1
534 1 66 SER H 1 67 SER H 4.500 . 4.500 3.861 2.007 4.536 0.036 1 0 "[ . 1 . 2]" 1
535 1 66 SER HA 1 67 SER QB 5.500 . 5.500 4.441 3.883 4.850 . 0 0 "[ . 1 . 2]" 1
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