NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380900 |
1iqs   |
5129 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iqs
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 542
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 0.713
_Distance_constraint_stats_list.Viol_max 0.216
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0476
_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 LEU 0.000 0.000 . 0 "[ ]"
1 2 PHE 0.000 0.000 . 0 "[ ]"
1 3 ILE 0.000 0.000 . 0 "[ ]"
1 4 ALA 0.000 0.000 . 0 "[ ]"
1 5 THR 0.000 0.000 . 0 "[ ]"
1 6 LEU 0.000 0.000 . 0 "[ ]"
1 7 LYS 0.127 0.127 1 0 "[ ]"
1 8 GLY 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.000 0.000 . 0 "[ ]"
1 10 PHE 0.000 0.000 . 0 "[ ]"
1 11 THR 0.189 0.189 1 0 "[ ]"
1 12 LEU 0.018 0.018 1 0 "[ ]"
1 13 LYS 0.189 0.189 1 0 "[ ]"
1 14 ASP 0.000 0.000 . 0 "[ ]"
1 15 LEU 0.018 0.018 1 0 "[ ]"
1 16 PRO 0.000 0.000 . 0 "[ ]"
1 17 GLU 0.000 0.000 . 0 "[ ]"
1 18 GLU 0.216 0.216 1 0 "[ ]"
1 19 PHE 0.216 0.216 1 0 "[ ]"
1 20 ARG 0.000 0.000 . 0 "[ ]"
1 21 PRO 0.000 0.000 . 0 "[ ]"
1 22 PHE 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.008 0.008 1 0 "[ ]"
1 24 ASP 0.000 0.000 . 0 "[ ]"
1 25 TYR 0.009 0.009 1 0 "[ ]"
1 26 LYS 0.017 0.009 1 0 "[ ]"
1 27 ALA 0.000 0.000 . 0 "[ ]"
1 28 GLY 0.009 0.009 1 0 "[ ]"
1 29 LEU 0.029 0.020 1 0 "[ ]"
1 30 GLU 0.028 0.020 1 0 "[ ]"
1 31 LYS 0.103 0.054 1 0 "[ ]"
1 32 LYS 0.095 0.054 1 0 "[ ]"
1 33 LYS 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.000 0.000 . 0 "[ ]"
1 35 SER 0.000 0.000 . 0 "[ ]"
1 36 ASP 0.000 0.000 . 0 "[ ]"
1 37 ASP 0.000 0.000 . 0 "[ ]"
1 38 ASP 0.000 0.000 . 0 "[ ]"
1 39 GLU 0.000 0.000 . 0 "[ ]"
1 40 ILE 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 42 ILE 0.000 0.000 . 0 "[ ]"
1 43 ILE 0.127 0.127 1 0 "[ ]"
1 44 SER 0.000 0.000 . 0 "[ ]"
1 45 ILE 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 GLY 0.000 0.000 . 0 "[ ]"
1 48 THR 0.000 0.000 . 0 "[ ]"
1 49 GLN 0.000 0.000 . 0 "[ ]"
1 50 SER 0.000 0.000 . 0 "[ ]"
1 51 ASN 0.000 0.000 . 0 "[ ]"
1 52 HIS 0.000 0.000 . 0 "[ ]"
1 53 VAL 0.000 0.000 . 0 "[ ]"
1 54 LEU 0.000 0.000 . 0 "[ ]"
1 55 PHE 0.000 0.000 . 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 57 SER 0.000 0.000 . 0 "[ ]"
1 58 SER 0.000 0.000 . 0 "[ ]"
1 59 TYR 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 61 SER 0.000 0.000 . 0 "[ ]"
1 62 VAL 0.000 0.000 . 0 "[ ]"
1 63 ASP 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 65 ILE 0.000 0.000 . 0 "[ ]"
1 66 ARG 0.000 0.000 . 0 "[ ]"
1 67 LYS 0.000 0.000 . 0 "[ ]"
1 68 GLU 0.000 0.000 . 0 "[ ]"
1 69 LEU 0.000 0.000 . 0 "[ ]"
1 70 GLU 0.000 0.000 . 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 72 ALA 0.000 0.000 . 0 "[ ]"
1 73 GLY 0.000 0.000 . 0 "[ ]"
1 74 ALA 0.000 0.000 . 0 "[ ]"
1 75 LYS 0.000 0.000 . 0 "[ ]"
1 76 ILE 0.000 0.000 . 0 "[ ]"
1 77 ASN 0.000 0.000 . 0 "[ ]"
1 78 HIS 0.000 0.000 . 0 "[ ]"
1 79 THR 0.000 0.000 . 0 "[ ]"
1 80 THR 0.000 0.000 . 0 "[ ]"
1 81 LEU 0.001 0.001 1 0 "[ ]"
1 82 LYS 0.003 0.003 1 0 "[ ]"
1 83 ILE 0.009 0.008 1 0 "[ ]"
1 84 LEU 0.004 0.004 1 0 "[ ]"
1 85 GLU 0.003 0.003 1 0 "[ ]"
1 86 GLY 0.008 0.008 1 0 "[ ]"
1 87 HIS 0.004 0.004 1 0 "[ ]"
1 88 LEU 0.000 0.000 . 0 "[ ]"
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 LEU HA 1 2 PHE H 2.500 . 2.700 2.687 2.687 2.687 . 0 0 "[ ]" 1
2 1 1 LEU QB 1 2 PHE H 4.000 . 6.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
3 1 2 PHE QD 1 4 ALA H 4.000 . 7.400 6.262 6.262 6.262 . 0 0 "[ ]" 1
4 1 3 ILE HA 1 4 ALA H 2.500 . 2.700 2.259 2.259 2.259 . 0 0 "[ ]" 1
5 1 3 ILE H 1 4 ALA H 4.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
6 1 4 ALA H 1 4 ALA MB 3.000 . 4.300 2.027 2.027 2.027 . 0 0 "[ ]" 1
7 1 4 ALA HA 1 5 THR H 2.500 . 2.700 2.234 2.234 2.234 . 0 0 "[ ]" 1
8 1 4 ALA MB 1 5 THR H 3.000 . 4.300 3.566 3.566 3.566 . 0 0 "[ ]" 1
9 1 5 THR H 1 5 THR HB 4.000 . 6.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
10 1 5 THR H 1 5 THR HG1 4.000 . 6.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
11 1 5 THR HA 1 6 LEU H 2.500 . 2.700 2.142 2.142 2.142 . 0 0 "[ ]" 1
12 1 6 LEU HA 1 7 LYS H 2.500 . 2.700 2.212 2.212 2.212 . 0 0 "[ ]" 1
13 1 7 LYS HA 1 8 GLY H 2.500 . 2.700 2.206 2.206 2.206 . 0 0 "[ ]" 1
14 1 7 LYS QB 1 8 GLY H 3.000 . 4.300 3.684 3.684 3.684 . 0 0 "[ ]" 1
15 1 7 LYS H 1 8 GLY H 4.000 . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
16 1 8 GLY QA 1 9 ILE H 2.500 . 3.700 2.110 2.110 2.110 . 0 0 "[ ]" 1
17 1 8 GLY H 1 9 ILE H 4.000 . 5.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
18 1 9 ILE HA 1 10 PHE H 2.500 . 2.700 2.151 2.151 2.151 . 0 0 "[ ]" 1
19 1 9 ILE HB 1 10 PHE H 4.000 . 6.000 4.238 4.238 4.238 . 0 0 "[ ]" 1
20 1 10 PHE HA 1 11 THR H 2.500 . 2.700 2.176 2.176 2.176 . 0 0 "[ ]" 1
21 1 10 PHE QB 1 11 THR H 4.000 . 6.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
22 1 11 THR H 1 11 THR HB 3.000 . 4.300 3.769 3.769 3.769 . 0 0 "[ ]" 1
23 1 11 THR HA 1 12 LEU H 3.000 . 3.300 2.108 2.108 2.108 . 0 0 "[ ]" 1
24 1 11 THR HB 1 12 LEU H 3.000 . 4.300 3.313 3.313 3.313 . 0 0 "[ ]" 1
25 1 12 LEU H 1 12 LEU QB 3.000 . 4.300 3.367 3.367 3.367 . 0 0 "[ ]" 1
26 1 12 LEU H 1 13 LYS H 4.000 . 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
27 1 12 LEU QB 1 13 LYS H 4.000 . 6.000 1.873 1.873 1.873 . 0 0 "[ ]" 1
28 1 13 LYS H 1 13 LYS QB 3.000 . 4.300 2.391 2.391 2.391 . 0 0 "[ ]" 1
29 1 13 LYS H 1 13 LYS QG 4.000 . 6.000 2.490 2.490 2.490 . 0 0 "[ ]" 1
30 1 11 THR HA 1 13 LYS H 4.000 . 6.000 6.189 6.189 6.189 0.189 1 0 "[ ]" 1
31 1 14 ASP H 1 14 ASP QB 3.000 . 4.300 2.188 2.188 2.188 . 0 0 "[ ]" 1
32 1 13 LYS H 1 14 ASP H 3.000 . 3.300 2.389 2.389 2.389 . 0 0 "[ ]" 1
33 1 13 LYS HA 1 14 ASP H 4.000 . 5.000 3.438 3.438 3.438 . 0 0 "[ ]" 1
34 1 15 LEU H 1 15 LEU QB 3.000 . 4.300 2.655 2.655 2.655 . 0 0 "[ ]" 1
35 1 14 ASP QB 1 15 LEU H 3.000 . 4.300 3.496 3.496 3.496 . 0 0 "[ ]" 1
36 1 10 PHE QD 1 15 LEU H 4.000 . 8.300 4.991 4.991 4.991 . 0 0 "[ ]" 1
37 1 10 PHE QD 1 15 LEU HA 4.000 . 8.300 3.166 3.166 3.166 . 0 0 "[ ]" 1
38 1 15 LEU H 1 16 PRO QD 4.000 . 6.000 2.193 2.193 2.193 . 0 0 "[ ]" 1
39 1 16 PRO HA 1 17 GLU H 2.500 . 2.700 2.659 2.659 2.659 . 0 0 "[ ]" 1
40 1 16 PRO QB 1 17 GLU H 3.000 . 4.300 3.936 3.936 3.936 . 0 0 "[ ]" 1
41 1 17 GLU H 1 17 GLU QB 3.000 . 4.300 2.182 2.182 2.182 . 0 0 "[ ]" 1
42 1 18 GLU H 1 18 GLU QB 3.000 . 4.300 2.067 2.067 2.067 . 0 0 "[ ]" 1
43 1 18 GLU H 1 18 GLU QG 4.000 . 6.000 3.461 3.461 3.461 . 0 0 "[ ]" 1
44 1 17 GLU H 1 18 GLU H 4.000 . 5.000 2.877 2.877 2.877 . 0 0 "[ ]" 1
45 1 17 GLU QB 1 18 GLU H 3.000 . 4.300 3.530 3.530 3.530 . 0 0 "[ ]" 1
46 1 17 GLU QG 1 18 GLU H 4.000 . 6.000 2.096 2.096 2.096 . 0 0 "[ ]" 1
47 1 18 GLU H 1 19 PHE H 4.000 . 5.000 2.716 2.716 2.716 . 0 0 "[ ]" 1
48 1 18 GLU HA 1 19 PHE H 3.000 . 3.300 3.516 3.516 3.516 0.216 1 0 "[ ]" 1
49 1 18 GLU QB 1 19 PHE H 3.000 . 4.300 2.242 2.242 2.242 . 0 0 "[ ]" 1
50 1 18 GLU QG 1 19 PHE H 4.000 . 6.000 4.147 4.147 4.147 . 0 0 "[ ]" 1
51 1 19 PHE HA 1 20 ARG H 4.000 . 5.000 3.499 3.499 3.499 . 0 0 "[ ]" 1
52 1 19 PHE QB 1 20 ARG H 3.000 . 4.300 1.822 1.822 1.822 . 0 0 "[ ]" 1
53 1 19 PHE H 1 20 ARG H 3.000 . 3.300 3.179 3.179 3.179 . 0 0 "[ ]" 1
54 1 20 ARG H 1 21 PRO QD 4.000 . 6.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
55 1 22 PHE H 1 23 VAL H 3.000 . 3.300 2.101 2.101 2.101 . 0 0 "[ ]" 1
56 1 22 PHE QB 1 23 VAL H 4.000 . 6.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
57 1 23 VAL H 1 23 VAL HB 4.000 . 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
58 1 23 VAL H 1 24 ASP H 3.000 . 3.300 2.136 2.136 2.136 . 0 0 "[ ]" 1
59 1 21 PRO HA 1 24 ASP H 4.000 . 5.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
60 1 23 VAL HB 1 24 ASP H 4.000 . 6.000 4.077 4.077 4.077 . 0 0 "[ ]" 1
61 1 24 ASP H 1 25 TYR H 3.000 . 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 1
62 1 22 PHE HA 1 25 TYR H 4.000 . 5.000 4.782 4.782 4.782 . 0 0 "[ ]" 1
63 1 24 ASP QB 1 25 TYR H 4.000 . 6.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
64 1 25 TYR H 1 26 LYS H 3.000 . 3.300 2.722 2.722 2.722 . 0 0 "[ ]" 1
65 1 23 VAL HA 1 26 LYS H 3.000 . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 1
66 1 25 TYR QB 1 26 LYS H 4.000 . 6.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
67 1 26 LYS H 1 27 ALA H 3.000 . 3.300 2.600 2.600 2.600 . 0 0 "[ ]" 1
68 1 24 ASP HA 1 27 ALA H 3.000 . 3.300 3.292 3.292 3.292 . 0 0 "[ ]" 1
69 1 26 LYS QB 1 27 ALA H 4.000 . 6.000 2.857 2.857 2.857 . 0 0 "[ ]" 1
70 1 27 ALA H 1 28 GLY H 3.000 . 3.300 2.415 2.415 2.415 . 0 0 "[ ]" 1
71 1 25 TYR HA 1 28 GLY H 3.000 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 1
72 1 24 ASP HA 1 28 GLY H 4.000 . 5.000 4.684 4.684 4.684 . 0 0 "[ ]" 1
73 1 27 ALA MB 1 28 GLY H 4.000 . 6.000 3.024 3.024 3.024 . 0 0 "[ ]" 1
74 1 28 GLY H 1 29 LEU H 2.500 . 2.700 2.190 2.190 2.190 . 0 0 "[ ]" 1
75 1 28 GLY QA 1 29 LEU H 4.000 . 6.000 2.901 2.901 2.901 . 0 0 "[ ]" 1
76 1 26 LYS HA 1 29 LEU H 3.000 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 1
77 1 29 LEU H 1 30 GLU H 3.000 . 3.300 2.639 2.639 2.639 . 0 0 "[ ]" 1
78 1 28 GLY QA 1 30 GLU H 4.000 . 6.000 2.986 2.986 2.986 . 0 0 "[ ]" 1
79 1 29 LEU QB 1 30 GLU H 4.000 . 6.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
80 1 29 LEU HA 1 30 GLU H 3.000 . 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1
81 1 30 GLU H 1 30 GLU QG 4.000 . 6.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
82 1 30 GLU H 1 31 LYS H 3.000 . 3.300 2.227 2.227 2.227 . 0 0 "[ ]" 1
83 1 30 GLU HA 1 31 LYS H 2.500 . 2.700 2.708 2.708 2.708 0.008 1 0 "[ ]" 1
84 1 30 GLU QB 1 31 LYS H 4.000 . 6.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
85 1 30 GLU QG 1 31 LYS H 4.000 . 6.000 4.230 4.230 4.230 . 0 0 "[ ]" 1
86 1 31 LYS H 1 31 LYS QG 4.000 . 6.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
87 1 31 LYS H 1 32 LYS H 2.500 . 2.700 2.741 2.741 2.741 0.041 1 0 "[ ]" 1
88 1 31 LYS HA 1 32 LYS H 2.500 . 2.700 2.754 2.754 2.754 0.054 1 0 "[ ]" 1
89 1 31 LYS QB 1 32 LYS H 4.000 . 6.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
90 1 31 LYS QG 1 32 LYS H 4.000 . 6.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
91 1 32 LYS H 1 32 LYS QG 4.000 . 6.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
92 1 32 LYS HA 1 33 LYS H 4.000 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
93 1 32 LYS QB 1 33 LYS H 4.000 . 6.000 1.890 1.890 1.890 . 0 0 "[ ]" 1
94 1 33 LYS H 1 33 LYS QG 4.000 . 6.000 4.055 4.055 4.055 . 0 0 "[ ]" 1
95 1 33 LYS HA 1 34 LEU H 4.000 . 5.000 2.259 2.259 2.259 . 0 0 "[ ]" 1
96 1 34 LEU H 1 34 LEU QB 3.000 . 4.300 2.413 2.413 2.413 . 0 0 "[ ]" 1
97 1 34 LEU H 1 34 LEU HG 4.000 . 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
98 1 34 LEU H 1 35 SER H 4.000 . 5.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
99 1 34 LEU HA 1 35 SER H 2.500 . 2.700 2.440 2.440 2.440 . 0 0 "[ ]" 1
100 1 35 SER H 1 35 SER QB 3.000 . 4.300 2.202 2.202 2.202 . 0 0 "[ ]" 1
101 1 34 LEU QB 1 35 SER H 3.000 . 4.300 3.888 3.888 3.888 . 0 0 "[ ]" 1
102 1 35 SER HA 1 36 ASP H 4.000 . 5.000 2.371 2.371 2.371 . 0 0 "[ ]" 1
103 1 35 SER QB 1 37 ASP H 4.000 . 6.000 2.123 2.123 2.123 . 0 0 "[ ]" 1
104 1 36 ASP HA 1 37 ASP H 4.000 . 5.000 3.099 3.099 3.099 . 0 0 "[ ]" 1
105 1 36 ASP QB 1 37 ASP H 4.000 . 6.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
106 1 37 ASP H 1 37 ASP QB 3.000 . 4.300 2.290 2.290 2.290 . 0 0 "[ ]" 1
107 1 37 ASP H 1 38 ASP H 2.500 . 2.700 2.024 2.024 2.024 . 0 0 "[ ]" 1
108 1 37 ASP QB 1 38 ASP H 4.000 . 6.000 2.985 2.985 2.985 . 0 0 "[ ]" 1
109 1 35 SER H 1 38 ASP H 4.000 . 5.000 4.239 4.239 4.239 . 0 0 "[ ]" 1
110 1 38 ASP H 1 38 ASP QB 3.000 . 4.300 2.094 2.094 2.094 . 0 0 "[ ]" 1
111 1 37 ASP HA 1 38 ASP H 4.000 . 5.000 3.463 3.463 3.463 . 0 0 "[ ]" 1
112 1 13 LYS QG 1 38 ASP H 4.000 . 8.300 5.821 5.821 5.821 . 0 0 "[ ]" 1
113 1 12 LEU QD 1 38 ASP H 4.000 . 8.300 3.128 3.128 3.128 . 0 0 "[ ]" 1
114 1 38 ASP HA 1 39 GLU H 2.500 . 2.700 2.167 2.167 2.167 . 0 0 "[ ]" 1
115 1 38 ASP QB 1 39 GLU H 4.000 . 6.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
116 1 39 GLU H 1 39 GLU QB 3.000 . 4.300 2.590 2.590 2.590 . 0 0 "[ ]" 1
117 1 39 GLU H 1 39 GLU QG 4.000 . 6.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
118 1 38 ASP H 1 39 GLU H 4.000 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
119 1 39 GLU HA 1 40 ILE H 2.500 . 2.700 2.142 2.142 2.142 . 0 0 "[ ]" 1
120 1 39 GLU QB 1 40 ILE H 4.000 . 6.000 3.425 3.425 3.425 . 0 0 "[ ]" 1
121 1 40 ILE HA 1 41 ALA H 2.500 . 2.700 2.341 2.341 2.341 . 0 0 "[ ]" 1
122 1 40 ILE HB 1 41 ALA H 4.000 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
123 1 41 ALA H 1 41 ALA MB 3.000 . 4.300 2.617 2.617 2.617 . 0 0 "[ ]" 1
124 1 41 ALA HA 1 42 ILE H 2.500 . 2.700 2.142 2.142 2.142 . 0 0 "[ ]" 1
125 1 41 ALA MB 1 42 ILE H 4.000 . 6.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
126 1 42 ILE HA 1 43 ILE H 2.500 . 2.700 2.187 2.187 2.187 . 0 0 "[ ]" 1
127 1 42 ILE HB 1 43 ILE H 4.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
128 1 43 ILE HA 1 44 SER H 3.000 . 3.300 2.151 2.151 2.151 . 0 0 "[ ]" 1
129 1 43 ILE HB 1 44 SER H 4.000 . 6.000 3.919 3.919 3.919 . 0 0 "[ ]" 1
130 1 44 SER H 1 44 SER QB 3.000 . 4.300 2.641 2.641 2.641 . 0 0 "[ ]" 1
131 1 44 SER QB 1 45 ILE H 4.000 . 6.000 2.564 2.564 2.564 . 0 0 "[ ]" 1
132 1 44 SER HA 1 45 ILE H 3.000 . 3.300 2.400 2.400 2.400 . 0 0 "[ ]" 1
133 1 45 ILE HA 1 46 LYS H 4.000 . 5.000 2.446 2.446 2.446 . 0 0 "[ ]" 1
134 1 46 LYS HA 1 47 GLY H 4.000 . 5.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
135 1 47 GLY QA 1 48 THR H 4.000 . 5.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
136 1 48 THR H 1 48 THR HB 4.000 . 6.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
137 1 48 THR H 1 48 THR HG1 4.000 . 6.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
138 1 48 THR HA 1 49 GLN H 4.000 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
139 1 49 GLN HA 1 50 SER H 4.000 . 5.000 2.602 2.602 2.602 . 0 0 "[ ]" 1
140 1 50 SER HA 1 51 ASN H 3.000 . 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 1
141 1 51 ASN HA 1 52 HIS H 3.000 . 3.300 2.777 2.777 2.777 . 0 0 "[ ]" 1
142 1 52 HIS H 1 52 HIS QB 3.000 . 4.300 2.945 2.945 2.945 . 0 0 "[ ]" 1
143 1 52 HIS HA 1 53 VAL H 2.500 . 2.700 2.151 2.151 2.151 . 0 0 "[ ]" 1
144 1 52 HIS QB 1 53 VAL H 4.000 . 6.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
145 1 53 VAL HA 1 54 LEU H 2.500 . 2.700 2.143 2.143 2.143 . 0 0 "[ ]" 1
146 1 53 VAL HB 1 54 LEU H 4.000 . 6.000 4.400 4.400 4.400 . 0 0 "[ ]" 1
147 1 54 LEU H 1 54 LEU QB 3.000 . 4.300 2.338 2.338 2.338 . 0 0 "[ ]" 1
148 1 54 LEU HA 1 55 PHE H 2.500 . 2.700 2.337 2.337 2.337 . 0 0 "[ ]" 1
149 1 54 LEU QB 1 55 PHE H 3.000 . 4.300 2.595 2.595 2.595 . 0 0 "[ ]" 1
150 1 55 PHE H 1 55 PHE QB 3.000 . 4.300 2.437 2.437 2.437 . 0 0 "[ ]" 1
151 1 55 PHE HA 1 56 LEU H 2.500 . 2.700 2.157 2.157 2.157 . 0 0 "[ ]" 1
152 1 55 PHE QB 1 56 LEU H 4.000 . 6.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
153 1 56 LEU HA 1 57 SER H 3.000 . 3.300 2.261 2.261 2.261 . 0 0 "[ ]" 1
154 1 56 LEU H 1 57 SER H 4.000 . 5.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
155 1 56 LEU QB 1 57 SER H 4.000 . 6.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
156 1 57 SER H 1 57 SER QB 3.000 . 4.300 2.061 2.061 2.061 . 0 0 "[ ]" 1
157 1 59 TYR QE 1 65 ILE H 4.000 . 7.400 5.376 5.376 5.376 . 0 0 "[ ]" 1
158 1 59 TYR QE 1 65 ILE HA 4.000 . 7.400 4.234 4.234 4.234 . 0 0 "[ ]" 1
159 1 61 SER H 1 65 ILE MD 4.000 . 7.400 2.172 2.172 2.172 . 0 0 "[ ]" 1
160 1 59 TYR QE 1 64 GLU H 4.000 . 8.300 7.622 7.622 7.622 . 0 0 "[ ]" 1
161 1 59 TYR QE 1 66 ARG H 4.000 . 8.300 4.618 4.618 4.618 . 0 0 "[ ]" 1
162 1 60 ASN H 1 61 SER H 4.000 . 5.000 3.045 3.045 3.045 . 0 0 "[ ]" 1
163 1 60 ASN QB 1 61 SER H 3.000 . 4.300 1.851 1.851 1.851 . 0 0 "[ ]" 1
164 1 61 SER H 1 61 SER QB 3.000 . 4.300 3.501 3.501 3.501 . 0 0 "[ ]" 1
165 1 61 SER QB 1 62 VAL H 3.000 . 4.300 3.950 3.950 3.950 . 0 0 "[ ]" 1
166 1 62 VAL H 1 62 VAL HB 3.000 . 4.300 3.921 3.921 3.921 . 0 0 "[ ]" 1
167 1 62 VAL H 1 62 VAL QG 4.000 . 6.000 2.289 2.289 2.289 . 0 0 "[ ]" 1
168 1 61 SER HA 1 62 VAL HA 4.000 . 6.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
169 1 62 VAL HB 1 63 ASP H 4.000 . 6.000 3.038 3.038 3.038 . 0 0 "[ ]" 1
170 1 62 VAL HA 1 63 ASP H 4.000 . 5.000 2.195 2.195 2.195 . 0 0 "[ ]" 1
171 1 63 ASP H 1 63 ASP QB 3.000 . 4.300 2.290 2.290 2.290 . 0 0 "[ ]" 1
172 1 63 ASP H 1 64 GLU H 4.000 . 5.000 2.977 2.977 2.977 . 0 0 "[ ]" 1
173 1 63 ASP QB 1 64 GLU H 3.000 . 4.300 2.716 2.716 2.716 . 0 0 "[ ]" 1
174 1 64 GLU H 1 64 GLU QB 3.000 . 4.300 2.192 2.192 2.192 . 0 0 "[ ]" 1
175 1 64 GLU H 1 64 GLU QG 4.000 . 6.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
176 1 63 ASP HA 1 64 GLU H 4.000 . 5.000 3.528 3.528 3.528 . 0 0 "[ ]" 1
177 1 64 GLU H 1 65 ILE H 3.000 . 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 1
178 1 62 VAL HA 1 65 ILE H 4.000 . 5.000 4.832 4.832 4.832 . 0 0 "[ ]" 1
179 1 64 GLU QB 1 65 ILE H 3.000 . 4.300 2.409 2.409 2.409 . 0 0 "[ ]" 1
180 1 65 ILE H 1 65 ILE HB 3.000 . 4.300 3.572 3.572 3.572 . 0 0 "[ ]" 1
181 1 65 ILE H 1 65 ILE QG 4.000 . 6.000 1.825 1.825 1.825 . 0 0 "[ ]" 1
182 1 65 ILE H 1 66 ARG H 3.000 . 3.300 2.406 2.406 2.406 . 0 0 "[ ]" 1
183 1 65 ILE HB 1 66 ARG H 3.000 . 4.300 3.557 3.557 3.557 . 0 0 "[ ]" 1
184 1 66 ARG H 1 66 ARG QB 3.000 . 4.300 2.192 2.192 2.192 . 0 0 "[ ]" 1
185 1 65 ILE QG 1 66 ARG H 4.000 . 6.000 1.980 1.980 1.980 . 0 0 "[ ]" 1
186 1 66 ARG H 1 67 LYS H 3.000 . 3.300 2.695 2.695 2.695 . 0 0 "[ ]" 1
187 1 64 GLU HA 1 67 LYS H 4.000 . 5.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
188 1 66 ARG QB 1 67 LYS H 3.000 . 4.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
189 1 67 LYS H 1 67 LYS QB 3.000 . 4.300 2.045 2.045 2.045 . 0 0 "[ ]" 1
190 1 67 LYS H 1 67 LYS QG 4.000 . 6.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
191 1 63 ASP HA 1 67 LYS H 4.000 . 5.000 3.437 3.437 3.437 . 0 0 "[ ]" 1
192 1 67 LYS H 1 68 GLU H 3.000 . 3.300 2.711 2.711 2.711 . 0 0 "[ ]" 1
193 1 64 GLU HA 1 68 GLU H 4.000 . 5.000 4.444 4.444 4.444 . 0 0 "[ ]" 1
194 1 65 ILE HA 1 68 GLU H 4.000 . 5.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
195 1 67 LYS QB 1 68 GLU H 4.000 . 6.000 2.591 2.591 2.591 . 0 0 "[ ]" 1
196 1 68 GLU H 1 69 LEU H 3.000 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1
197 1 66 ARG HA 1 69 LEU H 4.000 . 5.000 3.966 3.966 3.966 . 0 0 "[ ]" 1
198 1 68 GLU QB 1 69 LEU H 4.000 . 6.000 2.152 2.152 2.152 . 0 0 "[ ]" 1
199 1 69 LEU H 1 69 LEU QB 3.000 . 4.300 2.051 2.051 2.051 . 0 0 "[ ]" 1
200 1 65 ILE HA 1 69 LEU H 4.000 . 5.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
201 1 69 LEU H 1 70 GLU H 3.000 . 3.300 3.147 3.147 3.147 . 0 0 "[ ]" 1
202 1 66 ARG HA 1 70 GLU H 4.000 . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
203 1 67 LYS HA 1 70 GLU H 4.000 . 5.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
204 1 69 LEU QB 1 70 GLU H 4.000 . 6.000 1.910 1.910 1.910 . 0 0 "[ ]" 1
205 1 70 GLU H 1 70 GLU QB 3.000 . 4.300 2.080 2.080 2.080 . 0 0 "[ ]" 1
206 1 70 GLU H 1 71 GLU H 3.000 . 3.300 2.920 2.920 2.920 . 0 0 "[ ]" 1
207 1 67 LYS HA 1 71 GLU H 4.000 . 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
208 1 68 GLU HA 1 71 GLU H 4.000 . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
209 1 70 GLU QB 1 71 GLU H 3.000 . 4.300 2.864 2.864 2.864 . 0 0 "[ ]" 1
210 1 71 GLU H 1 71 GLU QB 3.000 . 4.300 2.059 2.059 2.059 . 0 0 "[ ]" 1
211 1 71 GLU H 1 71 GLU QG 4.000 . 6.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
212 1 71 GLU H 1 72 ALA H 3.000 . 3.300 2.626 2.626 2.626 . 0 0 "[ ]" 1
213 1 68 GLU HA 1 72 ALA H 4.000 . 5.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
214 1 69 LEU HA 1 72 ALA H 3.000 . 3.300 3.287 3.287 3.287 . 0 0 "[ ]" 1
215 1 71 GLU QB 1 72 ALA H 3.000 . 4.300 2.639 2.639 2.639 . 0 0 "[ ]" 1
216 1 72 ALA H 1 72 ALA MB 2.500 . 3.700 2.216 2.216 2.216 . 0 0 "[ ]" 1
217 1 72 ALA H 1 73 GLY H 2.500 . 2.700 2.613 2.613 2.613 . 0 0 "[ ]" 1
218 1 71 GLU H 1 73 GLY H 4.000 . 5.000 3.794 3.794 3.794 . 0 0 "[ ]" 1
219 1 72 ALA MB 1 73 GLY H 3.000 . 4.300 3.455 3.455 3.455 . 0 0 "[ ]" 1
220 1 70 GLU QB 1 73 GLY H 4.000 . 6.000 4.824 4.824 4.824 . 0 0 "[ ]" 1
221 1 73 GLY H 1 74 ALA H 4.000 . 5.000 2.427 2.427 2.427 . 0 0 "[ ]" 1
222 1 73 GLY QA 1 74 ALA H 4.000 . 6.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
223 1 74 ALA H 1 74 ALA MB 3.000 . 4.300 2.620 2.620 2.620 . 0 0 "[ ]" 1
224 1 73 GLY QA 1 75 LYS H 4.000 . 6.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
225 1 74 ALA HA 1 75 LYS H 3.000 . 3.300 3.128 3.128 3.128 . 0 0 "[ ]" 1
226 1 74 ALA MB 1 75 LYS H 3.000 . 4.300 3.482 3.482 3.482 . 0 0 "[ ]" 1
227 1 75 LYS H 1 75 LYS QB 3.000 . 4.300 2.275 2.275 2.275 . 0 0 "[ ]" 1
228 1 75 LYS H 1 75 LYS QG 4.000 . 6.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
229 1 74 ALA H 1 75 LYS H 4.000 . 5.000 1.877 1.877 1.877 . 0 0 "[ ]" 1
230 1 75 LYS HA 1 76 ILE H 3.000 . 3.300 2.912 2.912 2.912 . 0 0 "[ ]" 1
231 1 76 ILE H 1 76 ILE HB 3.000 . 4.300 2.728 2.728 2.728 . 0 0 "[ ]" 1
232 1 76 ILE H 1 76 ILE QG 4.000 . 6.000 1.927 1.927 1.927 . 0 0 "[ ]" 1
233 1 75 LYS QB 1 76 ILE H 3.000 . 4.300 1.899 1.899 1.899 . 0 0 "[ ]" 1
234 1 76 ILE HB 1 77 ASN H 3.000 . 4.300 3.995 3.995 3.995 . 0 0 "[ ]" 1
235 1 77 ASN H 1 77 ASN QB 3.000 . 4.300 2.861 2.861 2.861 . 0 0 "[ ]" 1
236 1 76 ILE QG 1 77 ASN H 4.000 . 6.000 2.029 2.029 2.029 . 0 0 "[ ]" 1
237 1 77 ASN HA 1 78 HIS H 4.000 . 5.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
238 1 79 THR H 1 79 THR HB 4.000 . 6.000 3.239 3.239 3.239 . 0 0 "[ ]" 1
239 1 78 HIS HA 1 79 THR H 4.000 . 5.000 2.185 2.185 2.185 . 0 0 "[ ]" 1
240 1 78 HIS QB 1 79 THR H 4.000 . 6.000 3.063 3.063 3.063 . 0 0 "[ ]" 1
241 1 80 THR H 1 80 THR HB 4.000 . 6.000 3.341 3.341 3.341 . 0 0 "[ ]" 1
242 1 79 THR HA 1 80 THR H 4.000 . 5.000 3.132 3.132 3.132 . 0 0 "[ ]" 1
243 1 79 THR HB 1 80 THR H 4.000 . 6.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
244 1 80 THR HA 1 81 LEU H 4.000 . 5.000 3.134 3.134 3.134 . 0 0 "[ ]" 1
245 1 80 THR HB 1 81 LEU H 4.000 . 5.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
246 1 81 LEU H 1 81 LEU QB 3.000 . 4.300 3.189 3.189 3.189 . 0 0 "[ ]" 1
247 1 81 LEU H 1 82 LYS H 3.000 . 3.300 2.922 2.922 2.922 . 0 0 "[ ]" 1
248 1 82 LYS H 1 82 LYS QB 3.000 . 4.300 2.097 2.097 2.097 . 0 0 "[ ]" 1
249 1 82 LYS H 1 82 LYS QG 4.000 . 6.000 3.071 3.071 3.071 . 0 0 "[ ]" 1
250 1 81 LEU QB 1 82 LYS H 4.000 . 6.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
251 1 82 LYS H 1 83 ILE H 3.000 . 3.300 2.764 2.764 2.764 . 0 0 "[ ]" 1
252 1 83 ILE H 1 83 ILE HB 3.000 . 4.300 3.621 3.621 3.621 . 0 0 "[ ]" 1
253 1 83 ILE H 1 83 ILE QG 4.000 . 6.000 1.844 1.844 1.844 . 0 0 "[ ]" 1
254 1 82 LYS QB 1 83 ILE H 3.000 . 4.300 2.566 2.566 2.566 . 0 0 "[ ]" 1
255 1 83 ILE H 1 84 LEU H 3.000 . 3.300 2.915 2.915 2.915 . 0 0 "[ ]" 1
256 1 84 LEU H 1 84 LEU HG 4.000 . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
257 1 83 ILE HB 1 84 LEU H 3.000 . 4.300 3.517 3.517 3.517 . 0 0 "[ ]" 1
258 1 84 LEU H 1 85 GLU H 3.000 . 3.300 2.661 2.661 2.661 . 0 0 "[ ]" 1
259 1 82 LYS HA 1 85 GLU H 3.000 . 3.300 3.303 3.303 3.303 0.003 1 0 "[ ]" 1
260 1 85 GLU H 1 85 GLU QB 3.000 . 4.300 2.185 2.185 2.185 . 0 0 "[ ]" 1
261 1 82 LYS HA 1 86 GLY H 4.000 . 6.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
262 1 83 ILE HA 1 86 GLY H . . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 1
263 1 85 GLU H 1 86 GLY H 3.000 . 3.300 2.435 2.435 2.435 . 0 0 "[ ]" 1
264 1 85 GLU QB 1 86 GLY H 3.000 . 4.300 3.004 3.004 3.004 . 0 0 "[ ]" 1
265 1 86 GLY H 1 87 HIS H 3.000 . 3.300 2.199 2.199 2.199 . 0 0 "[ ]" 1
266 1 87 HIS H 1 87 HIS QB 3.000 . 4.300 3.069 3.069 3.069 . 0 0 "[ ]" 1
267 1 86 GLY QA 1 87 HIS H 3.000 . 4.300 2.870 2.870 2.870 . 0 0 "[ ]" 1
268 1 84 LEU HA 1 87 HIS H 3.000 . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1
269 1 87 HIS H 1 88 LEU H 3.000 . 3.300 2.359 2.359 2.359 . 0 0 "[ ]" 1
270 1 88 LEU H 1 88 LEU QB 3.000 . 4.300 2.908 2.908 2.908 . 0 0 "[ ]" 1
271 1 88 LEU H 1 88 LEU HG 4.000 . 6.000 5.243 5.243 5.243 . 0 0 "[ ]" 1
272 1 86 GLY QA 1 88 LEU H 4.000 . 6.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
273 1 41 ALA H 1 54 LEU H 4.000 . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
274 1 43 ILE H 1 52 HIS H 4.000 . 5.000 3.005 3.005 3.005 . 0 0 "[ ]" 1
275 1 39 GLU H 1 56 LEU H 4.000 . 5.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
276 1 43 ILE H 1 53 VAL HA 4.000 . 5.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
277 1 44 SER QB 1 52 HIS H 4.000 . 6.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
278 1 44 SER HA 1 52 HIS H 4.000 . 5.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
279 1 40 ILE HA 1 56 LEU H 4.000 . 5.000 2.276 2.276 2.276 . 0 0 "[ ]" 1
280 1 41 ALA H 1 55 PHE HA 4.000 . 5.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
281 1 42 ILE HA 1 54 LEU H 4.000 . 5.000 3.063 3.063 3.063 . 0 0 "[ ]" 1
282 1 7 LYS HA 1 44 SER H 4.000 . 5.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
283 1 6 LEU H 1 44 SER H 4.000 . 5.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
284 1 8 GLY H 1 43 ILE HA 4.000 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
285 1 8 GLY H 1 42 ILE H 4.000 . 5.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
286 1 8 GLY QA 1 42 ILE H 4.000 . 5.000 4.145 4.145 4.145 . 0 0 "[ ]" 1
287 1 8 GLY H 1 42 ILE HB 4.000 . 5.000 4.019 4.019 4.019 . 0 0 "[ ]" 1
288 1 9 ILE HA 1 42 ILE H 4.000 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
289 1 10 PHE H 1 41 ALA HA 4.000 . 5.000 3.002 3.002 3.002 . 0 0 "[ ]" 1
290 1 10 PHE H 1 40 ILE H 4.000 . 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
291 1 12 LEU H 1 39 GLU HA 4.000 . 5.000 2.987 2.987 2.987 . 0 0 "[ ]" 1
292 1 12 LEU H 1 38 ASP H 4.000 . 5.000 4.651 4.651 4.651 . 0 0 "[ ]" 1
293 1 12 LEU HA 1 15 LEU H 4.000 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
294 1 65 ILE H 1 67 LYS H 4.000 . 5.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
295 1 66 ARG H 1 68 GLU H 4.000 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
296 1 67 LYS H 1 69 LEU H 4.000 . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
297 1 68 GLU H 1 70 GLU H 4.000 . 5.000 4.942 4.942 4.942 . 0 0 "[ ]" 1
298 1 69 LEU H 1 71 GLU H 4.000 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
299 1 70 GLU H 1 72 ALA H 4.000 . 5.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
300 1 80 THR H 1 82 LYS H 4.000 . 5.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
301 1 81 LEU H 1 83 ILE H 4.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
302 1 82 LYS H 1 84 LEU H 4.000 . 5.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
303 1 83 ILE H 1 85 GLU H 4.000 . 5.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
304 1 84 LEU H 1 86 GLY H 4.000 . 5.000 3.979 3.979 3.979 . 0 0 "[ ]" 1
305 1 86 GLY H 1 88 LEU H 4.000 . 5.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
306 1 14 ASP H 1 15 LEU H 4.000 . 5.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
307 1 40 ILE HA 1 55 PHE HA 3.000 . 3.300 3.027 3.027 3.027 . 0 0 "[ ]" 1
308 1 42 ILE HA 1 53 VAL HA 3.000 . 3.300 2.556 2.556 2.556 . 0 0 "[ ]" 1
309 1 7 LYS HA 1 43 ILE HA 3.000 . 3.300 2.749 2.749 2.749 . 0 0 "[ ]" 1
310 1 9 ILE HA 1 41 ALA HA 3.000 . 3.300 3.288 3.288 3.288 . 0 0 "[ ]" 1
311 1 40 ILE MD 1 55 PHE QB 4.000 . 8.300 4.348 4.348 4.348 . 0 0 "[ ]" 1
312 1 45 ILE H 1 50 SER H 4.000 . 5.000 4.994 4.994 4.994 . 0 0 "[ ]" 1
313 1 44 SER HA 1 51 ASN HA 4.000 . 5.000 2.419 2.419 2.419 . 0 0 "[ ]" 1
314 1 45 ILE H 1 51 ASN HA 4.000 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
315 1 46 LYS HA 1 50 SER H 4.000 . 5.000 4.867 4.867 4.867 . 0 0 "[ ]" 1
316 1 65 ILE HA 1 68 GLU QB 4.000 . 6.000 2.743 2.743 2.743 . 0 0 "[ ]" 1
317 1 66 ARG HA 1 69 LEU QB 4.000 . 6.000 3.370 3.370 3.370 . 0 0 "[ ]" 1
318 1 67 LYS HA 1 70 GLU QB 4.000 . 6.000 3.033 3.033 3.033 . 0 0 "[ ]" 1
319 1 68 GLU HA 1 71 GLU QB 4.000 . 6.000 2.627 2.627 2.627 . 0 0 "[ ]" 1
320 1 69 LEU HA 1 72 ALA MB 4.000 . 6.000 3.048 3.048 3.048 . 0 0 "[ ]" 1
321 1 21 PRO HA 1 24 ASP QB 4.000 . 6.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
322 1 22 PHE HA 1 25 TYR QB 4.000 . 6.000 5.004 5.004 5.004 . 0 0 "[ ]" 1
323 1 23 VAL HA 1 26 LYS QB 4.000 . 6.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
324 1 24 ASP HA 1 27 ALA MB 4.000 . 6.000 2.612 2.612 2.612 . 0 0 "[ ]" 1
325 1 26 LYS HA 1 29 LEU QB 4.000 . 6.000 2.184 2.184 2.184 . 0 0 "[ ]" 1
326 1 82 LYS HA 1 85 GLU QB 4.000 . 6.000 2.685 2.685 2.685 . 0 0 "[ ]" 1
327 1 83 ILE HA 1 86 GLY QA 4.000 . 6.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
328 1 84 LEU HA 1 87 HIS QB 4.000 . 7.000 5.027 5.027 5.027 . 0 0 "[ ]" 1
329 1 85 GLU HA 1 88 LEU QB 4.000 . 6.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
330 1 43 ILE MD 1 69 LEU QD 4.000 . 7.400 2.641 2.641 2.641 . 0 0 "[ ]" 1
331 1 43 ILE QG 1 69 LEU QD 4.000 . 8.300 3.439 3.439 3.439 . 0 0 "[ ]" 1
332 1 43 ILE MD 1 69 LEU HG 4.000 . 8.300 2.198 2.198 2.198 . 0 0 "[ ]" 1
333 1 45 ILE MD 1 74 ALA MB 4.000 . 7.400 3.510 3.510 3.510 . 0 0 "[ ]" 1
334 1 45 ILE QG 1 74 ALA MB 4.000 . 7.400 2.171 2.171 2.171 . 0 0 "[ ]" 1
335 1 7 LYS QE 1 70 GLU QG 4.000 . 8.300 3.656 3.656 3.656 . 0 0 "[ ]" 1
336 1 11 THR H 1 15 LEU H 4.000 . 5.000 3.778 3.778 3.778 . 0 0 "[ ]" 1
337 1 54 LEU QD 1 83 ILE MD 4.000 . 8.300 3.306 3.306 3.306 . 0 0 "[ ]" 1
338 1 54 LEU QD 1 84 LEU QD 4.000 . 8.300 2.438 2.438 2.438 . 0 0 "[ ]" 1
339 1 55 PHE QB 1 88 LEU QD 4.000 . 7.400 2.537 2.537 2.537 . 0 0 "[ ]" 1
340 1 8 GLY QA 1 42 ILE HB 4.000 . 6.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
341 1 41 ALA MB 1 54 LEU H 4.000 . 6.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
342 1 41 ALA MB 1 54 LEU QB 4.000 . 6.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
343 1 44 SER HA 1 51 ASN QB 4.000 . 6.000 2.066 2.066 2.066 . 0 0 "[ ]" 1
344 1 44 SER QB 1 51 ASN QB 4.000 . 6.000 1.811 1.811 1.811 . 0 0 "[ ]" 1
345 1 44 SER QB 1 51 ASN HA 4.000 . 6.000 3.102 3.102 3.102 . 0 0 "[ ]" 1
346 1 3 ILE QG 1 74 ALA MB 4.000 . 8.300 3.204 3.204 3.204 . 0 0 "[ ]" 1
347 1 3 ILE QG 1 5 THR HG1 4.000 . 6.000 1.899 1.899 1.899 . 0 0 "[ ]" 1
348 1 3 ILE MD 1 46 LYS QE 4.000 . 8.300 5.053 5.053 5.053 . 0 0 "[ ]" 1
349 1 5 THR HB 1 43 ILE QG 4.000 . 7.400 3.847 3.847 3.847 . 0 0 "[ ]" 1
350 1 5 THR HB 1 45 ILE QG 4.000 . 7.400 3.660 3.660 3.660 . 0 0 "[ ]" 1
351 1 5 THR HB 1 74 ALA MB 4.000 . 7.400 4.245 4.245 4.245 . 0 0 "[ ]" 1
352 1 5 THR HG1 1 45 ILE QG 4.000 . 7.400 1.835 1.835 1.835 . 0 0 "[ ]" 1
353 1 5 THR HG1 1 74 ALA MB 4.000 . 7.400 2.311 2.311 2.311 . 0 0 "[ ]" 1
354 1 6 LEU QB 1 44 SER H 4.000 . 6.000 2.941 2.941 2.941 . 0 0 "[ ]" 1
355 1 7 LYS HA 1 43 ILE QG 4.000 . 7.400 2.315 2.315 2.315 . 0 0 "[ ]" 1
356 1 7 LYS HA 1 43 ILE MD 4.000 . 6.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
357 1 7 LYS QG 1 43 ILE QG 4.000 . 7.400 1.673 1.673 1.673 0.127 1 0 "[ ]" 1
358 1 7 LYS QG 1 43 ILE MD 4.000 . 6.000 2.833 2.833 2.833 . 0 0 "[ ]" 1
359 1 7 LYS QG 1 73 GLY QA 4.000 . 7.400 4.432 4.432 4.432 . 0 0 "[ ]" 1
360 1 9 ILE QG 1 56 LEU QD 4.000 . 7.400 3.681 3.681 3.681 . 0 0 "[ ]" 1
361 1 10 PHE HA 1 16 PRO HA 4.000 . 6.000 5.350 5.350 5.350 . 0 0 "[ ]" 1
362 1 10 PHE HA 1 17 GLU H 4.000 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
363 1 10 PHE HA 1 17 GLU QB 4.000 . 6.000 5.020 5.020 5.020 . 0 0 "[ ]" 1
364 1 10 PHE QB 1 15 LEU QB 4.000 . 7.400 1.890 1.890 1.890 . 0 0 "[ ]" 1
365 1 10 PHE QB 1 23 VAL QG 4.000 . 7.400 3.016 3.016 3.016 . 0 0 "[ ]" 1
366 1 10 PHE QD 1 23 VAL QG 4.000 . 7.400 2.613 2.613 2.613 . 0 0 "[ ]" 1
367 1 10 PHE QD 1 42 ILE QG 4.000 . 7.400 2.388 2.388 2.388 . 0 0 "[ ]" 1
368 1 10 PHE QD 1 40 ILE QG 4.000 . 7.400 2.460 2.460 2.460 . 0 0 "[ ]" 1
369 1 10 PHE QE 1 18 GLU QB 4.000 . 7.400 4.632 4.632 4.632 . 0 0 "[ ]" 1
370 1 10 PHE QE 1 21 PRO HA 4.000 . 7.400 5.318 5.318 5.318 . 0 0 "[ ]" 1
371 1 10 PHE QE 1 22 PHE H 4.000 . 7.400 4.782 4.782 4.782 . 0 0 "[ ]" 1
372 1 10 PHE QD 1 16 PRO QB 4.000 . 7.400 5.317 5.317 5.317 . 0 0 "[ ]" 1
373 1 13 LYS QG 1 38 ASP QB 4.000 . 6.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
374 1 13 LYS QD 1 27 ALA MB 4.000 . 6.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
375 1 13 LYS QD 1 27 ALA HA 4.000 . 7.400 6.603 6.603 6.603 . 0 0 "[ ]" 1
376 1 13 LYS QE 1 27 ALA MB 4.000 . 6.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
377 1 13 LYS QE 1 34 LEU QB 4.000 . 6.000 4.627 4.627 4.627 . 0 0 "[ ]" 1
378 1 13 LYS QE 1 34 LEU QD 4.000 . 7.400 4.201 4.201 4.201 . 0 0 "[ ]" 1
379 1 14 ASP QB 1 36 ASP HA 4.000 . 7.400 6.521 6.521 6.521 . 0 0 "[ ]" 1
380 1 15 LEU HA 1 16 PRO QD 3.000 . 4.300 3.489 3.489 3.489 . 0 0 "[ ]" 1
381 1 16 PRO HA 1 21 PRO HA 4.000 . 6.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
382 1 16 PRO HA 1 21 PRO QB 4.000 . 7.400 4.757 4.757 4.757 . 0 0 "[ ]" 1
383 1 16 PRO HA 1 22 PHE H 4.000 . 7.400 4.485 4.485 4.485 . 0 0 "[ ]" 1
384 1 16 PRO HA 1 23 VAL QG 4.000 . 7.400 5.190 5.190 5.190 . 0 0 "[ ]" 1
385 1 16 PRO QB 1 20 ARG H 4.000 . 7.400 3.894 3.894 3.894 . 0 0 "[ ]" 1
386 1 16 PRO QB 1 20 ARG HA 4.000 . 6.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
387 1 16 PRO QB 1 20 ARG QB 4.000 . 7.400 4.302 4.302 4.302 . 0 0 "[ ]" 1
388 1 16 PRO QB 1 21 PRO QD 4.000 . 6.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
389 1 23 VAL HB 1 40 ILE QG 4.000 . 7.400 3.419 3.419 3.419 . 0 0 "[ ]" 1
390 1 23 VAL HB 1 40 ILE MD 4.000 . 7.400 2.488 2.488 2.488 . 0 0 "[ ]" 1
391 1 23 VAL HB 1 42 ILE MD 4.000 . 7.400 4.399 4.399 4.399 . 0 0 "[ ]" 1
392 1 23 VAL HB 1 53 VAL QG 4.000 . 7.400 3.737 3.737 3.737 . 0 0 "[ ]" 1
393 1 23 VAL QG 1 42 ILE MD 4.000 . 7.400 2.133 2.133 2.133 . 0 0 "[ ]" 1
394 1 23 VAL QG 1 40 ILE QG 4.000 . 7.400 2.415 2.415 2.415 . 0 0 "[ ]" 1
395 1 23 VAL QG 1 40 ILE MD 4.000 . 7.400 1.998 1.998 1.998 . 0 0 "[ ]" 1
396 1 23 VAL QG 1 42 ILE QG 4.000 . 7.400 2.985 2.985 2.985 . 0 0 "[ ]" 1
397 1 23 VAL QG 1 53 VAL QG 4.000 . 7.400 2.312 2.312 2.312 . 0 0 "[ ]" 1
398 1 26 LYS QB 1 40 ILE MD 4.000 . 7.400 3.586 3.586 3.586 . 0 0 "[ ]" 1
399 1 26 LYS QB 1 40 ILE QG 4.000 . 7.400 4.688 4.688 4.688 . 0 0 "[ ]" 1
400 1 26 LYS QB 1 53 VAL QG 4.000 . 7.400 4.250 4.250 4.250 . 0 0 "[ ]" 1
401 1 26 LYS QD 1 40 ILE QG 4.000 . 7.400 3.719 3.719 3.719 . 0 0 "[ ]" 1
402 1 26 LYS QD 1 40 ILE MD 4.000 . 7.400 2.734 2.734 2.734 . 0 0 "[ ]" 1
403 1 26 LYS QD 1 53 VAL QG 4.000 . 7.400 3.450 3.450 3.450 . 0 0 "[ ]" 1
404 1 26 LYS QD 1 55 PHE HA 4.000 . 7.400 5.077 5.077 5.077 . 0 0 "[ ]" 1
405 1 26 LYS QD 1 55 PHE QB 4.000 . 6.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
406 1 27 ALA H 1 40 ILE MD 4.000 . 7.400 4.904 4.904 4.904 . 0 0 "[ ]" 1
407 1 27 ALA HA 1 32 LYS QB 4.000 . 6.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
408 1 27 ALA HA 1 32 LYS QD 4.000 . 6.000 2.205 2.205 2.205 . 0 0 "[ ]" 1
409 1 27 ALA HA 1 40 ILE MD 4.000 . 7.400 5.429 5.429 5.429 . 0 0 "[ ]" 1
410 1 27 ALA MB 1 34 LEU QB 4.000 . 7.400 4.974 4.974 4.974 . 0 0 "[ ]" 1
411 1 27 ALA MB 1 34 LEU QD 4.000 . 7.400 2.702 2.702 2.702 . 0 0 "[ ]" 1
412 1 27 ALA MB 1 40 ILE MD 4.000 . 7.400 4.103 4.103 4.103 . 0 0 "[ ]" 1
413 1 28 GLY QA 1 34 LEU QD 4.000 . 7.400 3.403 3.403 3.403 . 0 0 "[ ]" 1
414 1 39 GLU H 1 56 LEU QB 4.000 . 6.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
415 1 39 GLU QB 1 56 LEU QD 4.000 . 6.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
416 1 39 GLU QG 1 40 ILE H 4.000 . 6.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
417 1 40 ILE HA 1 55 PHE QB 4.000 . 7.400 5.062 5.062 5.062 . 0 0 "[ ]" 1
418 1 40 ILE HA 1 56 LEU QB 4.000 . 7.400 3.305 3.305 3.305 . 0 0 "[ ]" 1
419 1 40 ILE HA 1 56 LEU HG 4.000 . 7.400 2.575 2.575 2.575 . 0 0 "[ ]" 1
420 1 40 ILE HB 1 42 ILE MD 4.000 . 7.400 5.005 5.005 5.005 . 0 0 "[ ]" 1
421 1 40 ILE QG 1 42 ILE MD 4.000 . 7.400 3.443 3.443 3.443 . 0 0 "[ ]" 1
422 1 40 ILE QG 1 55 PHE HA 4.000 . 7.400 2.554 2.554 2.554 . 0 0 "[ ]" 1
423 1 40 ILE QG 1 55 PHE QB 4.000 . 7.400 3.788 3.788 3.788 . 0 0 "[ ]" 1
424 1 41 ALA MB 1 69 LEU QD 4.000 . 7.400 2.387 2.387 2.387 . 0 0 "[ ]" 1
425 1 42 ILE QG 1 53 VAL QG 4.000 . 7.400 1.968 1.968 1.968 . 0 0 "[ ]" 1
426 1 43 ILE MD 1 69 LEU QB 4.000 . 7.400 3.589 3.589 3.589 . 0 0 "[ ]" 1
427 1 45 ILE MD 1 52 HIS QB 4.000 . 7.400 5.349 5.349 5.349 . 0 0 "[ ]" 1
428 1 46 LYS QB 1 48 THR H 4.000 . 6.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
429 1 46 LYS QG 1 47 GLY H 4.000 . 7.400 4.498 4.498 4.498 . 0 0 "[ ]" 1
430 1 46 LYS QD 1 47 GLY H 4.000 . 7.400 4.901 4.901 4.901 . 0 0 "[ ]" 1
431 1 46 LYS QD 1 48 THR HG1 4.000 . 7.400 5.225 5.225 5.225 . 0 0 "[ ]" 1
432 1 47 GLY H 1 49 GLN H 4.000 . 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
433 1 47 GLY H 1 50 SER H 4.000 . 6.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
434 1 47 GLY QA 1 50 SER H 4.000 . 6.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
435 1 47 GLY QA 1 51 ASN HA 4.000 . 6.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
436 1 49 GLN H 1 50 SER HA 4.000 . 6.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
437 1 49 GLN HA 1 50 SER HA 4.000 . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
438 1 52 HIS QB 1 78 HIS HD1 4.000 . 7.400 4.744 4.744 4.744 . 0 0 "[ ]" 1
439 1 54 LEU QB 1 56 LEU QD 4.000 . 6.000 3.131 3.131 3.131 . 0 0 "[ ]" 1
440 1 54 LEU QB 1 69 LEU QD 4.000 . 7.400 3.047 3.047 3.047 . 0 0 "[ ]" 1
441 1 54 LEU QB 1 72 ALA MB 4.000 . 7.400 4.662 4.662 4.662 . 0 0 "[ ]" 1
442 1 54 LEU HG 1 72 ALA MB 4.000 . 7.400 3.784 3.784 3.784 . 0 0 "[ ]" 1
443 1 54 LEU QD 1 72 ALA MB 4.000 . 7.400 2.378 2.378 2.378 . 0 0 "[ ]" 1
444 1 56 LEU QD 1 69 LEU QD 4.000 . 7.400 2.143 2.143 2.143 . 0 0 "[ ]" 1
445 1 59 TYR HA 1 65 ILE QG 4.000 . 7.400 2.865 2.865 2.865 . 0 0 "[ ]" 1
446 1 59 TYR QE 1 65 ILE QG 4.000 . 7.400 3.165 3.165 3.165 . 0 0 "[ ]" 1
447 1 59 TYR QE 1 65 ILE MD 4.000 . 7.400 2.269 2.269 2.269 . 0 0 "[ ]" 1
448 1 59 TYR QD 1 65 ILE QG 4.000 . 7.400 3.365 3.365 3.365 . 0 0 "[ ]" 1
449 1 59 TYR QD 1 65 ILE MD 4.000 . 7.400 2.657 2.657 2.657 . 0 0 "[ ]" 1
450 1 60 ASN H 1 65 ILE QG 4.000 . 7.400 2.859 2.859 2.859 . 0 0 "[ ]" 1
451 1 62 VAL QG 1 65 ILE QG 4.000 . 7.400 1.920 1.920 1.920 . 0 0 "[ ]" 1
452 1 5 THR HA 1 5 THR HB 2.500 . 2.700 2.696 2.696 2.696 . 0 0 "[ ]" 1
453 1 5 THR HA 1 5 THR HG1 3.000 . 4.300 2.243 2.243 2.243 . 0 0 "[ ]" 1
454 1 7 LYS HA 1 7 LYS QB 2.500 . 3.700 2.415 2.415 2.415 . 0 0 "[ ]" 1
455 1 7 LYS HA 1 7 LYS QG 3.000 . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 1
456 1 7 LYS QB 1 7 LYS QD 3.000 . 4.300 2.044 2.044 2.044 . 0 0 "[ ]" 1
457 1 7 LYS QE 1 7 LYS QG 3.000 . 4.300 2.025 2.025 2.025 . 0 0 "[ ]" 1
458 1 9 ILE HA 1 9 ILE HB 2.500 . 3.700 3.019 3.019 3.019 . 0 0 "[ ]" 1
459 1 9 ILE HB 1 9 ILE MD 3.000 . 4.300 2.503 2.503 2.503 . 0 0 "[ ]" 1
460 1 10 PHE HA 1 10 PHE QB 2.500 . 3.700 2.414 2.414 2.414 . 0 0 "[ ]" 1
461 1 11 THR HA 1 11 THR HB 2.500 . 2.700 2.321 2.321 2.321 . 0 0 "[ ]" 1
462 1 12 LEU HA 1 12 LEU QB 2.500 . 3.700 2.235 2.235 2.235 . 0 0 "[ ]" 1
463 1 13 LYS HA 1 13 LYS QB 2.500 . 3.700 2.384 2.384 2.384 . 0 0 "[ ]" 1
464 1 13 LYS HA 1 13 LYS QG 3.000 . 4.300 3.033 3.033 3.033 . 0 0 "[ ]" 1
465 1 13 LYS QB 1 13 LYS QD 3.000 . 4.300 2.435 2.435 2.435 . 0 0 "[ ]" 1
466 1 14 ASP HA 1 14 ASP QB 2.500 . 3.700 2.503 2.503 2.503 . 0 0 "[ ]" 1
467 1 20 ARG HA 1 20 ARG QB 2.500 . 3.700 2.330 2.330 2.330 . 0 0 "[ ]" 1
468 1 20 ARG HA 1 20 ARG QG 3.000 . 4.300 2.603 2.603 2.603 . 0 0 "[ ]" 1
469 1 20 ARG QB 1 20 ARG QD 3.000 . 4.300 2.175 2.175 2.175 . 0 0 "[ ]" 1
470 1 26 LYS HA 1 26 LYS QG 3.000 . 4.300 2.585 2.585 2.585 . 0 0 "[ ]" 1
471 1 29 LEU HA 1 29 LEU QB 2.500 . 3.700 2.151 2.151 2.151 . 0 0 "[ ]" 1
472 1 30 GLU HA 1 30 GLU QB 2.500 . 3.700 2.406 2.406 2.406 . 0 0 "[ ]" 1
473 1 31 LYS HA 1 31 LYS QB 2.500 . 3.700 2.160 2.160 2.160 . 0 0 "[ ]" 1
474 1 31 LYS HA 1 31 LYS QG 3.000 . 4.300 3.298 3.298 3.298 . 0 0 "[ ]" 1
475 1 31 LYS QB 1 31 LYS QD 3.000 . 4.300 1.897 1.897 1.897 . 0 0 "[ ]" 1
476 1 32 LYS HA 1 32 LYS QB 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
477 1 32 LYS HA 1 32 LYS QG 3.000 . 4.300 2.099 2.099 2.099 . 0 0 "[ ]" 1
478 1 33 LYS HA 1 33 LYS QB 2.500 . 3.700 2.529 2.529 2.529 . 0 0 "[ ]" 1
479 1 33 LYS HA 1 33 LYS QG 3.000 . 4.300 2.481 2.481 2.481 . 0 0 "[ ]" 1
480 1 34 LEU HA 1 34 LEU QB 2.500 . 3.700 2.454 2.454 2.454 . 0 0 "[ ]" 1
481 1 35 SER HA 1 35 SER QB 2.500 . 3.700 2.513 2.513 2.513 . 0 0 "[ ]" 1
482 1 36 ASP HA 1 36 ASP QB 2.500 . 3.700 2.490 2.490 2.490 . 0 0 "[ ]" 1
483 1 37 ASP HA 1 37 ASP QB 2.500 . 3.700 2.540 2.540 2.540 . 0 0 "[ ]" 1
484 1 38 ASP HA 1 38 ASP QB 2.500 . 3.700 2.519 2.519 2.519 . 0 0 "[ ]" 1
485 1 39 GLU HA 1 39 GLU QB 2.500 . 3.700 2.517 2.517 2.517 . 0 0 "[ ]" 1
486 1 40 ILE HA 1 40 ILE HB 2.500 . 3.700 3.013 3.013 3.013 . 0 0 "[ ]" 1
487 1 40 ILE HB 1 40 ILE MD 3.000 . 4.300 2.579 2.579 2.579 . 0 0 "[ ]" 1
488 1 42 ILE HA 1 42 ILE HB 2.500 . 3.700 3.019 3.019 3.019 . 0 0 "[ ]" 1
489 1 42 ILE HB 1 42 ILE MD 3.000 . 4.300 2.519 2.519 2.519 . 0 0 "[ ]" 1
490 1 43 ILE HA 1 43 ILE HB 2.500 . 3.700 2.982 2.982 2.982 . 0 0 "[ ]" 1
491 1 43 ILE HB 1 43 ILE MD 3.000 . 4.300 2.269 2.269 2.269 . 0 0 "[ ]" 1
492 1 44 SER HA 1 44 SER QB 2.500 . 3.700 2.179 2.179 2.179 . 0 0 "[ ]" 1
493 1 45 ILE HA 1 45 ILE HB 3.000 . 4.300 2.682 2.682 2.682 . 0 0 "[ ]" 1
494 1 45 ILE HB 1 45 ILE MD 3.000 . 4.300 2.076 2.076 2.076 . 0 0 "[ ]" 1
495 1 53 VAL HA 1 53 VAL HB 3.000 . 3.300 2.510 2.510 2.510 . 0 0 "[ ]" 1
496 1 54 LEU HA 1 54 LEU QB 2.500 . 3.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
497 1 55 PHE HA 1 55 PHE QB 2.500 . 3.700 2.411 2.411 2.411 . 0 0 "[ ]" 1
498 1 56 LEU HA 1 56 LEU QB 2.500 . 3.700 2.330 2.330 2.330 . 0 0 "[ ]" 1
499 1 57 SER HA 1 57 SER QB 2.500 . 3.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
500 1 58 SER HA 1 58 SER QB 2.500 . 3.700 2.540 2.540 2.540 . 0 0 "[ ]" 1
501 1 59 TYR HA 1 59 TYR QB 2.500 . 3.700 2.490 2.490 2.490 . 0 0 "[ ]" 1
502 1 60 ASN HA 1 60 ASN QB 2.500 . 3.700 2.412 2.412 2.412 . 0 0 "[ ]" 1
503 1 61 SER HA 1 61 SER QB 2.500 . 3.700 2.159 2.159 2.159 . 0 0 "[ ]" 1
504 1 62 VAL HA 1 62 VAL HB 2.500 . 2.700 2.369 2.369 2.369 . 0 0 "[ ]" 1
505 1 63 ASP HA 1 63 ASP QB 2.500 . 3.700 2.494 2.494 2.494 . 0 0 "[ ]" 1
506 1 64 GLU HA 1 64 GLU QB 2.500 . 3.700 2.426 2.426 2.426 . 0 0 "[ ]" 1
507 1 65 ILE HA 1 65 ILE HB 2.500 . 3.700 2.588 2.588 2.588 . 0 0 "[ ]" 1
508 1 65 ILE HB 1 65 ILE MD 3.000 . 4.300 2.219 2.219 2.219 . 0 0 "[ ]" 1
509 1 66 ARG HA 1 66 ARG QB 2.500 . 3.700 2.445 2.445 2.445 . 0 0 "[ ]" 1
510 1 66 ARG HA 1 66 ARG QG 3.000 . 4.300 2.242 2.242 2.242 . 0 0 "[ ]" 1
511 1 66 ARG QB 1 66 ARG QD 3.000 . 4.300 2.109 2.109 2.109 . 0 0 "[ ]" 1
512 1 67 LYS HA 1 67 LYS QB 2.500 . 3.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
513 1 67 LYS HA 1 67 LYS QG 3.000 . 4.300 2.177 2.177 2.177 . 0 0 "[ ]" 1
514 1 67 LYS QB 1 67 LYS QD 3.000 . 4.300 2.132 2.132 2.132 . 0 0 "[ ]" 1
515 1 67 LYS QE 1 67 LYS QG 3.000 . 4.300 2.019 2.019 2.019 . 0 0 "[ ]" 1
516 1 68 GLU HA 1 68 GLU QB 2.500 . 3.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
517 1 69 LEU HA 1 69 LEU QB 2.500 . 3.700 2.514 2.514 2.514 . 0 0 "[ ]" 1
518 1 69 LEU HA 1 69 LEU HG 3.000 . 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 1
519 1 69 LEU QB 1 69 LEU HG 2.500 . 3.700 2.365 2.365 2.365 . 0 0 "[ ]" 1
520 1 70 GLU HA 1 70 GLU QB 2.500 . 3.700 2.524 2.524 2.524 . 0 0 "[ ]" 1
521 1 75 LYS HA 1 75 LYS QG 3.000 . 4.300 2.079 2.079 2.079 . 0 0 "[ ]" 1
522 1 75 LYS QB 1 75 LYS QD 3.000 . 4.300 1.909 1.909 1.909 . 0 0 "[ ]" 1
523 1 76 ILE HA 1 76 ILE HB 2.500 . 3.700 3.022 3.022 3.022 . 0 0 "[ ]" 1
524 1 76 ILE HB 1 76 ILE MD 3.000 . 4.300 2.420 2.420 2.420 . 0 0 "[ ]" 1
525 1 77 ASN HA 1 77 ASN QB 2.500 . 3.700 2.181 2.181 2.181 . 0 0 "[ ]" 1
526 1 79 THR HA 1 79 THR HB 3.000 . 3.300 2.436 2.436 2.436 . 0 0 "[ ]" 1
527 1 80 THR HA 1 80 THR HB 2.500 . 2.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
528 1 81 LEU HA 1 81 LEU QB 2.500 . 3.700 2.380 2.380 2.380 . 0 0 "[ ]" 1
529 1 81 LEU HA 1 81 LEU HG 3.000 . 3.300 2.425 2.425 2.425 . 0 0 "[ ]" 1
530 1 81 LEU QB 1 81 LEU HG 2.500 . 3.700 2.531 2.531 2.531 . 0 0 "[ ]" 1
531 1 82 LYS HA 1 82 LYS QB 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
532 1 82 LYS HA 1 82 LYS QG 3.000 . 4.300 2.225 2.225 2.225 . 0 0 "[ ]" 1
533 1 82 LYS QB 1 82 LYS QD 3.000 . 4.300 1.996 1.996 1.996 . 0 0 "[ ]" 1
534 1 82 LYS QE 1 82 LYS QG 3.000 . 4.300 2.021 2.021 2.021 . 0 0 "[ ]" 1
535 1 83 ILE HA 1 83 ILE HB 2.500 . 3.700 2.478 2.478 2.478 . 0 0 "[ ]" 1
536 1 83 ILE HB 1 83 ILE MD 3.000 . 4.300 2.550 2.550 2.550 . 0 0 "[ ]" 1
537 1 84 LEU HA 1 84 LEU QB 2.500 . 3.700 2.515 2.515 2.515 . 0 0 "[ ]" 1
538 1 84 LEU HA 1 84 LEU HG 3.000 . 3.300 2.159 2.159 2.159 . 0 0 "[ ]" 1
539 1 84 LEU QB 1 84 LEU HG 2.500 . 3.700 2.502 2.502 2.502 . 0 0 "[ ]" 1
540 1 85 GLU HA 1 85 GLU QB 2.500 . 3.700 2.490 2.490 2.490 . 0 0 "[ ]" 1
541 1 87 HIS HA 1 87 HIS QB 2.500 . 3.700 2.176 2.176 2.176 . 0 0 "[ ]" 1
542 1 88 LEU HA 1 88 LEU QB 2.500 . 3.700 2.467 2.467 2.467 . 0 0 "[ ]" 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 54
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.027
_Distance_constraint_stats_list.Viol_max 0.015
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0054
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 LEU 0.000 0.000 . 0 "[ ]"
1 8 GLY 0.000 0.000 1 0 "[ ]"
1 10 PHE 0.000 0.000 . 0 "[ ]"
1 11 THR 0.008 0.008 1 0 "[ ]"
1 12 LEU 0.000 0.000 . 0 "[ ]"
1 15 LEU 0.008 0.008 1 0 "[ ]"
1 16 PRO 0.015 0.015 1 0 "[ ]"
1 19 PHE 0.015 0.015 1 0 "[ ]"
1 25 TYR 0.002 0.002 1 0 "[ ]"
1 29 LEU 0.002 0.002 1 0 "[ ]"
1 38 ASP 0.000 0.000 . 0 "[ ]"
1 39 GLU 0.000 0.000 . 0 "[ ]"
1 40 ILE 0.000 0.000 . 0 "[ ]"
1 41 ALA 0.000 0.000 . 0 "[ ]"
1 42 ILE 0.000 0.000 1 0 "[ ]"
1 43 ILE 0.000 0.000 . 0 "[ ]"
1 44 SER 0.000 0.000 . 0 "[ ]"
1 52 HIS 0.000 0.000 . 0 "[ ]"
1 54 LEU 0.000 0.000 . 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 63 ASP 0.000 0.000 . 0 "[ ]"
1 65 ILE 0.000 0.000 . 0 "[ ]"
1 66 ARG 0.000 0.000 . 0 "[ ]"
1 67 LYS 0.000 0.000 . 0 "[ ]"
1 68 GLU 0.000 0.000 . 0 "[ ]"
1 69 LEU 0.000 0.000 . 0 "[ ]"
1 70 GLU 0.000 0.000 . 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 72 ALA 0.000 0.000 . 0 "[ ]"
1 73 GLY 0.000 0.000 . 0 "[ ]"
1 74 ALA 0.000 0.000 . 0 "[ ]"
1 75 LYS 0.000 0.000 . 0 "[ ]"
1 81 LEU 0.002 0.002 1 0 "[ ]"
1 82 LYS 0.000 0.000 . 0 "[ ]"
1 83 ILE 0.000 0.000 . 0 "[ ]"
1 84 LEU 0.000 0.000 . 0 "[ ]"
1 85 GLU 0.002 0.002 1 0 "[ ]"
1 86 GLY 0.000 0.000 . 0 "[ ]"
1 87 HIS 0.000 0.000 . 0 "[ ]"
1 88 LEU 0.000 0.000 . 0 "[ ]"
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 10 PHE H 1 40 ILE O 2.300 . 2.500 2.057 2.057 2.057 . 0 0 "[ ]" 2
2 1 10 PHE N 1 40 ILE O 3.300 2.500 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 2
3 1 8 GLY H 1 42 ILE O 2.300 . 2.500 2.231 2.231 2.231 . 0 0 "[ ]" 2
4 1 8 GLY N 1 42 ILE O 3.300 2.500 3.500 3.128 3.128 3.128 . 0 0 "[ ]" 2
5 1 12 LEU H 1 38 ASP O 2.300 . 2.500 1.690 1.690 1.690 . 0 0 "[ ]" 2
6 1 12 LEU N 1 38 ASP O 3.300 2.500 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 2
7 1 6 LEU H 1 44 SER O 2.300 . 2.500 2.480 2.480 2.480 . 0 0 "[ ]" 2
8 1 6 LEU N 1 44 SER O 3.300 2.500 3.500 3.408 3.408 3.408 . 0 0 "[ ]" 2
9 1 11 THR O 1 15 LEU H 2.300 . 2.500 2.508 2.508 2.508 0.008 1 0 "[ ]" 2
10 1 11 THR O 1 15 LEU N 3.300 2.500 3.500 2.788 2.788 2.788 . 0 0 "[ ]" 2
11 1 43 ILE O 1 52 HIS H 2.300 . 2.500 2.072 2.072 2.072 . 0 0 "[ ]" 2
12 1 43 ILE O 1 52 HIS N 3.300 2.500 3.500 3.010 3.010 3.010 . 0 0 "[ ]" 2
13 1 10 PHE O 1 40 ILE H 2.300 . 2.500 1.691 1.691 1.691 . 0 0 "[ ]" 2
14 1 10 PHE O 1 40 ILE N 3.300 2.500 3.500 2.666 2.666 2.666 . 0 0 "[ ]" 2
15 1 41 ALA H 1 54 LEU O 2.300 . 2.500 2.454 2.454 2.454 . 0 0 "[ ]" 2
16 1 41 ALA N 1 54 LEU O 3.300 2.500 3.500 3.433 3.433 3.433 . 0 0 "[ ]" 2
17 1 8 GLY O 1 42 ILE H 2.300 . 2.500 2.500 2.500 2.500 0.000 1 0 "[ ]" 2
18 1 8 GLY O 1 42 ILE N 3.300 2.500 3.500 3.418 3.418 3.418 . 0 0 "[ ]" 2
19 1 43 ILE H 1 52 HIS O 2.300 . 2.500 2.386 2.386 2.386 . 0 0 "[ ]" 2
20 1 43 ILE N 1 52 HIS O 3.300 2.500 3.500 3.350 3.350 3.350 . 0 0 "[ ]" 2
21 1 6 LEU O 1 44 SER H 2.300 . 2.500 2.445 2.445 2.445 . 0 0 "[ ]" 2
22 1 6 LEU O 1 44 SER N 3.300 2.500 3.500 3.280 3.280 3.280 . 0 0 "[ ]" 2
23 1 41 ALA O 1 54 LEU H 2.300 . 2.500 2.322 2.322 2.322 . 0 0 "[ ]" 2
24 1 41 ALA O 1 54 LEU N 3.300 2.500 3.500 3.260 3.260 3.260 . 0 0 "[ ]" 2
25 1 39 GLU O 1 56 LEU H 2.300 . 2.500 2.382 2.382 2.382 . 0 0 "[ ]" 2
26 1 39 GLU O 1 56 LEU N 3.300 2.500 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 2
27 1 16 PRO O 1 19 PHE H 2.300 . 2.500 2.515 2.515 2.515 0.015 1 0 "[ ]" 2
28 1 16 PRO O 1 19 PHE N 3.300 2.500 3.500 2.819 2.819 2.819 . 0 0 "[ ]" 2
29 1 65 ILE O 1 69 LEU H 2.300 . 2.500 2.320 2.320 2.320 . 0 0 "[ ]" 2
30 1 65 ILE O 1 69 LEU N 3.300 2.500 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 2
31 1 66 ARG O 1 70 GLU H 2.300 . 2.500 2.362 2.362 2.362 . 0 0 "[ ]" 2
32 1 66 ARG O 1 70 GLU N 3.300 2.500 3.500 3.249 3.249 3.249 . 0 0 "[ ]" 2
33 1 25 TYR O 1 29 LEU H 2.300 . 2.500 2.149 2.149 2.149 . 0 0 "[ ]" 2
34 1 25 TYR O 1 29 LEU N 3.300 2.500 3.500 2.498 2.498 2.498 0.002 1 0 "[ ]" 2
35 1 63 ASP O 1 67 LYS H 2.300 . 2.500 1.600 1.600 1.600 . 0 0 "[ ]" 2
36 1 63 ASP O 1 67 LYS N 3.300 2.500 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 2
37 1 67 LYS O 1 71 GLU H 2.300 . 2.500 2.104 2.104 2.104 . 0 0 "[ ]" 2
38 1 67 LYS O 1 71 GLU N 3.300 2.500 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 2
39 1 68 GLU O 1 72 ALA H 2.300 . 2.500 2.269 2.269 2.269 . 0 0 "[ ]" 2
40 1 68 GLU O 1 72 ALA N 3.300 2.500 3.500 3.137 3.137 3.137 . 0 0 "[ ]" 2
41 1 69 LEU O 1 73 GLY H 2.300 . 2.500 2.500 2.500 2.500 . 0 0 "[ ]" 2
42 1 69 LEU O 1 73 GLY N 3.300 2.500 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 2
43 1 70 GLU O 1 74 ALA H 2.300 . 2.500 2.469 2.469 2.469 . 0 0 "[ ]" 2
44 1 70 GLU O 1 74 ALA N 3.300 2.500 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 2
45 1 71 GLU O 1 75 LYS H 2.300 . 2.500 2.494 2.494 2.494 . 0 0 "[ ]" 2
46 1 71 GLU O 1 75 LYS N 3.300 2.500 3.500 3.189 3.189 3.189 . 0 0 "[ ]" 2
47 1 84 LEU O 1 88 LEU H 2.300 . 2.500 2.203 2.203 2.203 . 0 0 "[ ]" 2
48 1 84 LEU O 1 88 LEU N 3.300 2.500 3.500 2.512 2.512 2.512 . 0 0 "[ ]" 2
49 1 83 ILE O 1 87 HIS H 2.300 . 2.500 1.948 1.948 1.948 . 0 0 "[ ]" 2
50 1 83 ILE O 1 87 HIS N 3.300 2.500 3.500 2.712 2.712 2.712 . 0 0 "[ ]" 2
51 1 82 LYS O 1 86 GLY H 2.300 . 2.500 2.192 2.192 2.192 . 0 0 "[ ]" 2
52 1 82 LYS O 1 86 GLY N 3.300 2.500 3.500 2.919 2.919 2.919 . 0 0 "[ ]" 2
53 1 81 LEU O 1 85 GLU H 2.300 . 2.500 2.502 2.502 2.502 0.002 1 0 "[ ]" 2
54 1 81 LEU O 1 85 GLU N 3.300 2.500 3.500 3.321 3.321 3.321 . 0 0 "[ ]" 2
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