NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522729 |
2l4n   |
17245 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4n
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 23
_Distance_constraint_stats_list.Viol_count 55
_Distance_constraint_stats_list.Viol_total 86.136
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0368
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0783
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.148 0.097 16 0 "[ . 1 . 2]"
1 6 GLN 0.295 0.147 18 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 CYS 4.012 0.304 6 0 "[ . 1 . 2]"
1 9 CYS 2.296 0.304 6 0 "[ . 1 . 2]"
1 34 CYS 0.266 0.100 12 0 "[ . 1 . 2]"
1 38 ALA 1.104 0.169 15 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 2 ASP HA 1 2 ASP QB . . 2.630 2.327 2.193 2.453 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLY QA 1 4 GLY H . . 3.160 2.364 2.071 2.910 . 0 0 "[ . 1 . 2]" 1
3 1 5 ALA H 1 5 ALA MB . . 3.520 2.475 2.237 2.969 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA HA 1 6 GLN H . . 2.840 2.317 2.066 2.937 0.097 16 0 "[ . 1 . 2]" 1
5 1 5 ALA MB 1 6 GLN H . . 3.760 3.146 1.904 3.607 . 0 0 "[ . 1 . 2]" 1
6 1 6 GLN H 1 6 GLN QB . . 3.640 2.771 2.198 3.415 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLN H 1 6 GLN QG . . 3.660 2.719 2.011 3.807 0.147 18 0 "[ . 1 . 2]" 1
8 1 6 GLN HA 1 6 GLN QG . . 3.870 2.934 2.408 3.549 . 0 0 "[ . 1 . 2]" 1
9 1 6 GLN QB 1 6 GLN QG . . 2.400 2.067 1.991 2.093 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLN QB 1 7 ASP H . . 4.210 3.151 2.069 4.005 . 0 0 "[ . 1 . 2]" 1
11 1 7 ASP H 1 7 ASP HB2 . . 4.160 2.715 2.432 3.673 . 0 0 "[ . 1 . 2]" 1
12 1 7 ASP H 1 7 ASP HB3 . . 4.160 3.033 2.434 3.686 . 0 0 "[ . 1 . 2]" 1
13 1 7 ASP H 1 7 ASP QB . . 3.290 2.399 2.235 2.615 . 0 0 "[ . 1 . 2]" 1
14 1 7 ASP HA 1 8 CYS H . . 3.220 2.154 2.032 2.326 . 0 0 "[ . 1 . 2]" 1
15 1 8 CYS CB 1 34 CYS CB . . 3.990 3.836 3.519 4.090 0.100 12 0 "[ . 1 . 2]" 1
16 1 8 CYS CB 1 34 CYS SG . . 3.100 3.032 2.987 3.085 . 0 0 "[ . 1 . 2]" 1
17 1 8 CYS H 1 8 CYS QB . . 3.310 2.948 2.361 3.378 0.068 6 0 "[ . 1 . 2]" 1
18 1 8 CYS HA 1 9 CYS H . . 3.050 2.676 2.023 3.354 0.304 6 0 "[ . 1 . 2]" 1
19 1 8 CYS HB2 1 9 CYS H . . 3.960 2.918 1.789 3.938 . 0 0 "[ . 1 . 2]" 1
20 1 8 CYS HB3 1 9 CYS H . . 3.960 3.423 1.868 4.042 0.082 13 0 "[ . 1 . 2]" 1
21 1 8 CYS QB 1 38 ALA MB . . 3.680 3.685 3.167 3.849 0.169 15 0 "[ . 1 . 2]" 1
22 1 8 CYS QB 1 9 CYS H . . 3.090 2.644 1.761 3.154 0.064 13 0 "[ . 1 . 2]" 1
23 1 8 CYS SG 1 34 CYS CB . . 3.100 3.035 2.988 3.083 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 8 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 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 8 CYS SG 1 34 CYS SG . . 2.100 2.025 2.008 2.051 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 14.805
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0296
_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 9 CYS 0.740 0.059 14 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.149 0.059 14 0 "[ . 1 . 2]"
1 52 CYS 0.154 0.032 7 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 9 CYS CB 1 52 CYS CB . . 3.990 3.869 3.477 4.008 0.018 3 0 "[ . 1 . 2]" 3
2 1 9 CYS CB 1 52 CYS SG . . 3.100 3.025 2.978 3.130 0.030 10 0 "[ . 1 . 2]" 3
3 1 9 CYS H 1 9 CYS HB2 . . 3.660 3.051 2.522 3.400 . 0 0 "[ . 1 . 2]" 3
4 1 9 CYS H 1 9 CYS HB3 . . 3.660 3.355 2.465 3.719 0.059 7 0 "[ . 1 . 2]" 3
5 1 9 CYS H 1 9 CYS QB . . 3.160 2.793 2.244 3.100 . 0 0 "[ . 1 . 2]" 3
6 1 9 CYS HA 1 10 LEU H . . 3.170 2.125 2.063 2.287 . 0 0 "[ . 1 . 2]" 3
7 1 9 CYS HA 1 11 LYS H . . 4.030 3.877 3.636 4.089 0.059 14 0 "[ . 1 . 2]" 3
8 1 9 CYS SG 1 52 CYS CB . . 3.100 3.046 2.998 3.132 0.032 7 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 666
_Distance_constraint_stats_list.Viol_count 1599
_Distance_constraint_stats_list.Viol_total 2188.527
_Distance_constraint_stats_list.Viol_max 0.400
_Distance_constraint_stats_list.Viol_rms 0.0303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0684
_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 10 LEU 5.043 0.300 4 0 "[ . 1 . 2]"
1 11 LYS 6.634 0.342 19 0 "[ . 1 . 2]"
1 12 TYR 0.376 0.055 1 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.144 0.028 13 0 "[ . 1 . 2]"
1 15 ARG 1.367 0.158 12 0 "[ . 1 . 2]"
1 16 LYS 1.318 0.240 17 0 "[ . 1 . 2]"
1 18 PRO 1.080 0.092 9 0 "[ . 1 . 2]"
1 19 ALA 3.384 0.168 17 0 "[ . 1 . 2]"
1 20 LYS 2.108 0.292 10 0 "[ . 1 . 2]"
1 21 VAL 3.094 0.292 10 0 "[ . 1 . 2]"
1 22 VAL 3.403 0.154 5 0 "[ . 1 . 2]"
1 23 ARG 6.839 0.288 9 0 "[ . 1 . 2]"
1 24 SER 0.203 0.077 16 0 "[ . 1 . 2]"
1 25 TYR 5.509 0.183 2 0 "[ . 1 . 2]"
1 26 ARG 4.783 0.202 11 0 "[ . 1 . 2]"
1 27 LYS 4.801 0.297 17 0 "[ . 1 . 2]"
1 28 GLN 3.490 0.146 4 0 "[ . 1 . 2]"
1 29 GLU 0.038 0.026 3 0 "[ . 1 . 2]"
1 30 PRO 2.716 0.117 11 0 "[ . 1 . 2]"
1 31 SER 3.164 0.196 8 0 "[ . 1 . 2]"
1 32 LEU 1.245 0.212 19 0 "[ . 1 . 2]"
1 33 GLY 0.046 0.030 3 0 "[ . 1 . 2]"
1 34 CYS 2.156 0.196 8 0 "[ . 1 . 2]"
1 35 SER 0.060 0.030 15 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 2.408 0.119 16 0 "[ . 1 . 2]"
1 38 ALA 2.990 0.117 11 0 "[ . 1 . 2]"
1 39 ILE 6.855 0.152 6 0 "[ . 1 . 2]"
1 40 LEU 5.705 0.189 5 0 "[ . 1 . 2]"
1 41 PHE 7.979 0.238 18 0 "[ . 1 . 2]"
1 42 LEU 0.202 0.063 1 0 "[ . 1 . 2]"
1 43 PRO 1.005 0.075 4 0 "[ . 1 . 2]"
1 44 ARG 1.777 0.320 19 0 "[ . 1 . 2]"
1 45 LYS 7.805 0.400 19 0 "[ . 1 . 2]"
1 46 ARG 3.047 0.204 12 0 "[ . 1 . 2]"
1 47 SER 0.452 0.103 7 0 "[ . 1 . 2]"
1 48 GLN 0.363 0.155 3 0 "[ . 1 . 2]"
1 49 ALA 0.650 0.155 3 0 "[ . 1 . 2]"
1 50 GLU 1.936 0.160 20 0 "[ . 1 . 2]"
1 51 LEU 7.601 0.300 4 0 "[ . 1 . 2]"
1 52 CYS 2.817 0.216 6 0 "[ . 1 . 2]"
1 53 ALA 3.871 0.147 18 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 5.466 0.173 14 0 "[ . 1 . 2]"
1 56 LYS 6.968 0.252 1 0 "[ . 1 . 2]"
1 57 GLU 1.294 0.104 7 0 "[ . 1 . 2]"
1 58 LEU 3.472 0.104 7 0 "[ . 1 . 2]"
1 59 TRP 0.308 0.032 7 0 "[ . 1 . 2]"
1 60 VAL 3.230 0.168 20 0 "[ . 1 . 2]"
1 61 GLN 0.462 0.133 3 0 "[ . 1 . 2]"
1 62 GLN 1.501 0.059 4 0 "[ . 1 . 2]"
1 63 LEU 7.398 0.238 18 0 "[ . 1 . 2]"
1 64 MET 2.825 0.245 2 0 "[ . 1 . 2]"
1 65 GLN 0.835 0.065 10 0 "[ . 1 . 2]"
1 66 HIS 0.248 0.034 12 0 "[ . 1 . 2]"
1 67 LEU 8.731 0.183 2 0 "[ . 1 . 2]"
1 68 ASP 3.084 0.156 14 0 "[ . 1 . 2]"
1 69 LYS 4.401 0.270 16 0 "[ . 1 . 2]"
1 70 THR 0.821 0.235 14 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 10 LEU H 1 10 LEU HG . . 3.920 2.824 1.967 3.706 . 0 0 "[ . 1 . 2]" 4
2 1 10 LEU H 1 10 LEU QB . . 3.460 2.725 2.501 3.126 . 0 0 "[ . 1 . 2]" 4
3 1 10 LEU H 1 10 LEU MD1 . . 4.580 3.442 2.606 4.071 . 0 0 "[ . 1 . 2]" 4
4 1 10 LEU H 1 10 LEU MD2 . . 4.580 2.606 1.581 3.894 . 0 0 "[ . 1 . 2]" 4
5 1 10 LEU H 1 10 LEU QD . . 3.650 2.218 1.580 2.928 . 0 0 "[ . 1 . 2]" 4
6 1 10 LEU H 1 11 LYS H . . 3.240 2.468 1.952 2.757 . 0 0 "[ . 1 . 2]" 4
7 1 10 LEU HA 1 10 LEU HG . . 3.990 3.806 3.721 3.895 . 0 0 "[ . 1 . 2]" 4
8 1 10 LEU HA 1 10 LEU QD . . 3.780 3.419 3.369 3.476 . 0 0 "[ . 1 . 2]" 4
9 1 10 LEU HG 1 51 LEU HA . . 3.950 3.830 3.178 4.033 0.083 8 0 "[ . 1 . 2]" 4
10 1 10 LEU QB 1 10 LEU MD1 . . 2.770 2.212 2.076 2.368 . 0 0 "[ . 1 . 2]" 4
11 1 10 LEU QB 1 10 LEU MD2 . . 2.770 2.253 2.080 2.466 . 0 0 "[ . 1 . 2]" 4
12 1 10 LEU QB 1 10 LEU QD . . 2.400 1.965 1.910 1.999 . 0 0 "[ . 1 . 2]" 4
13 1 10 LEU QB 1 11 LYS H . . 3.860 3.597 3.232 3.866 0.006 3 0 "[ . 1 . 2]" 4
14 1 10 LEU QD 1 50 GLU H . . 3.900 3.688 2.930 4.060 0.160 20 0 "[ . 1 . 2]" 4
15 1 10 LEU QD 1 50 GLU QB . . 3.510 3.414 1.956 3.616 0.106 1 0 "[ . 1 . 2]" 4
16 1 10 LEU QD 1 51 LEU QB . . 3.300 3.483 3.388 3.600 0.300 4 0 "[ . 1 . 2]" 4
17 1 11 LYS H 1 11 LYS QD . . 3.880 3.998 2.937 4.198 0.318 16 0 "[ . 1 . 2]" 4
18 1 11 LYS H 1 11 LYS QG . . 4.310 3.607 2.632 4.158 . 0 0 "[ . 1 . 2]" 4
19 1 11 LYS H 1 12 TYR H . . 4.430 4.182 3.985 4.357 . 0 0 "[ . 1 . 2]" 4
20 1 11 LYS HA 1 11 LYS QE . . 4.100 3.477 1.896 4.159 0.059 8 0 "[ . 1 . 2]" 4
21 1 11 LYS QB 1 11 LYS QD . . 2.400 2.296 1.897 2.553 0.153 15 0 "[ . 1 . 2]" 4
22 1 11 LYS QB 1 11 LYS QE . . 3.180 2.760 1.917 3.522 0.342 19 0 "[ . 1 . 2]" 4
23 1 11 LYS QD 1 12 TYR H . . 3.970 3.015 1.927 3.979 0.009 15 0 "[ . 1 . 2]" 4
24 1 11 LYS QD 1 11 LYS QG . . 2.400 2.026 1.978 2.076 . 0 0 "[ . 1 . 2]" 4
25 1 11 LYS QE 1 11 LYS QG . . 3.260 2.275 1.946 2.780 . 0 0 "[ . 1 . 2]" 4
26 1 12 TYR H 1 12 TYR HB2 . . 3.890 2.743 2.448 3.756 . 0 0 "[ . 1 . 2]" 4
27 1 12 TYR H 1 12 TYR HB3 . . 3.890 3.488 2.742 3.718 . 0 0 "[ . 1 . 2]" 4
28 1 12 TYR H 1 12 TYR QB . . 3.390 2.522 2.410 2.840 . 0 0 "[ . 1 . 2]" 4
29 1 12 TYR H 1 12 TYR QD . . 3.880 2.597 2.134 3.060 . 0 0 "[ . 1 . 2]" 4
30 1 12 TYR HA 1 12 TYR QB . . 2.340 2.330 2.187 2.395 0.055 1 0 "[ . 1 . 2]" 4
31 1 12 TYR HA 1 13 SER H . . 3.360 2.293 2.157 2.462 . 0 0 "[ . 1 . 2]" 4
32 1 12 TYR QB 1 13 SER H . . 4.230 2.716 2.297 3.090 . 0 0 "[ . 1 . 2]" 4
33 1 12 TYR QD 1 13 SER H . . 4.410 3.844 3.337 4.324 . 0 0 "[ . 1 . 2]" 4
34 1 14 GLN H 1 14 GLN HB2 . . 4.160 3.002 2.447 3.712 . 0 0 "[ . 1 . 2]" 4
35 1 14 GLN H 1 14 GLN HB3 . . 4.160 3.034 2.377 3.719 . 0 0 "[ . 1 . 2]" 4
36 1 14 GLN H 1 14 GLN QB . . 3.610 2.532 2.181 2.827 . 0 0 "[ . 1 . 2]" 4
37 1 14 GLN H 1 14 GLN QG . . 4.330 2.659 1.878 4.012 . 0 0 "[ . 1 . 2]" 4
38 1 14 GLN H 1 15 ARG H . . 3.730 2.141 1.871 2.511 . 0 0 "[ . 1 . 2]" 4
39 1 14 GLN HA 1 14 GLN QG . . 3.360 2.833 2.438 3.370 0.010 16 0 "[ . 1 . 2]" 4
40 1 14 GLN HB2 1 15 ARG H . . 4.150 3.614 2.661 4.162 0.012 16 0 "[ . 1 . 2]" 4
41 1 14 GLN HB3 1 15 ARG H . . 4.150 3.739 2.544 4.178 0.028 13 0 "[ . 1 . 2]" 4
42 1 14 GLN QB 1 14 GLN QG . . 2.280 2.084 2.075 2.090 . 0 0 "[ . 1 . 2]" 4
43 1 14 GLN QG 1 15 ARG H . . 4.690 3.402 2.171 4.276 . 0 0 "[ . 1 . 2]" 4
44 1 15 ARG H 1 15 ARG QB . . 3.520 2.810 2.360 3.265 . 0 0 "[ . 1 . 2]" 4
45 1 15 ARG H 1 15 ARG QG . . 3.430 2.630 1.779 3.490 0.060 20 0 "[ . 1 . 2]" 4
46 1 15 ARG HA 1 15 ARG QD . . 4.070 3.429 1.969 4.228 0.158 12 0 "[ . 1 . 2]" 4
47 1 15 ARG HA 1 15 ARG QG . . 3.420 3.085 2.410 3.497 0.077 9 0 "[ . 1 . 2]" 4
48 1 15 ARG HA 1 16 LYS H . . 2.940 2.387 2.145 2.580 . 0 0 "[ . 1 . 2]" 4
49 1 15 ARG QB 1 15 ARG QD . . 2.690 2.241 2.033 2.746 0.056 3 0 "[ . 1 . 2]" 4
50 1 15 ARG QB 1 15 ARG QG . . 2.400 2.033 1.977 2.085 . 0 0 "[ . 1 . 2]" 4
51 1 15 ARG QB 1 16 LYS H . . 4.070 2.437 2.057 3.058 . 0 0 "[ . 1 . 2]" 4
52 1 15 ARG QG 1 16 LYS H . . 4.270 3.927 3.095 4.339 0.069 14 0 "[ . 1 . 2]" 4
53 1 16 LYS HA 1 16 LYS QB . . 2.640 2.379 2.301 2.460 . 0 0 "[ . 1 . 2]" 4
54 1 16 LYS HA 1 16 LYS QD . . 3.370 2.480 1.964 3.610 0.240 17 0 "[ . 1 . 2]" 4
55 1 16 LYS HA 1 16 LYS QE . . 4.220 3.945 2.845 4.307 0.087 17 0 "[ . 1 . 2]" 4
56 1 16 LYS HA 1 16 LYS QG . . 3.210 2.753 2.158 3.176 . 0 0 "[ . 1 . 2]" 4
57 1 16 LYS QB 1 16 LYS QD . . 2.400 2.408 2.002 2.577 0.177 18 0 "[ . 1 . 2]" 4
58 1 16 LYS QB 1 16 LYS QE . . 4.390 3.399 1.876 3.910 . 0 0 "[ . 1 . 2]" 4
59 1 16 LYS QB 1 16 LYS QG . . 2.400 2.006 1.992 2.064 . 0 0 "[ . 1 . 2]" 4
60 1 16 LYS QD 1 16 LYS QE . . 2.400 2.036 1.988 2.101 . 0 0 "[ . 1 . 2]" 4
61 1 16 LYS QD 1 16 LYS QG . . 2.400 2.072 2.006 2.098 . 0 0 "[ . 1 . 2]" 4
62 1 18 PRO HA 1 20 LYS H . . 4.630 3.924 3.673 4.125 . 0 0 "[ . 1 . 2]" 4
63 1 18 PRO HB2 1 21 VAL H . . 3.660 3.321 3.062 3.666 0.006 18 0 "[ . 1 . 2]" 4
64 1 18 PRO HB2 1 21 VAL QG . . 3.120 3.136 2.649 3.200 0.080 5 0 "[ . 1 . 2]" 4
65 1 18 PRO HB3 1 19 ALA H . . 4.170 3.683 3.387 3.849 . 0 0 "[ . 1 . 2]" 4
66 1 18 PRO HB3 1 20 LYS H . . 4.370 3.953 3.601 4.342 . 0 0 "[ . 1 . 2]" 4
67 1 18 PRO HG2 1 21 VAL MG1 . . 4.230 2.401 1.947 3.454 . 0 0 "[ . 1 . 2]" 4
68 1 18 PRO HG2 1 21 VAL MG2 . . 4.230 2.581 1.836 3.349 . 0 0 "[ . 1 . 2]" 4
69 1 18 PRO HG3 1 21 VAL MG1 . . 4.230 3.685 3.225 4.322 0.092 9 0 "[ . 1 . 2]" 4
70 1 18 PRO HG3 1 21 VAL MG2 . . 4.230 3.824 2.586 4.266 0.036 10 0 "[ . 1 . 2]" 4
71 1 18 PRO QG 1 21 VAL H . . 4.430 3.373 2.620 4.116 . 0 0 "[ . 1 . 2]" 4
72 1 18 PRO QG 1 21 VAL QG . . 3.090 2.113 1.792 2.612 . 0 0 "[ . 1 . 2]" 4
73 1 19 ALA H 1 19 ALA MB . . 2.780 2.266 2.205 2.307 . 0 0 "[ . 1 . 2]" 4
74 1 19 ALA H 1 20 LYS H . . 3.630 2.765 2.616 2.939 . 0 0 "[ . 1 . 2]" 4
75 1 19 ALA H 1 63 LEU HG . . 4.530 4.636 4.542 4.698 0.168 17 0 "[ . 1 . 2]" 4
76 1 19 ALA H 1 63 LEU MD1 . . 4.920 3.401 2.929 4.666 . 0 0 "[ . 1 . 2]" 4
77 1 19 ALA H 1 63 LEU MD2 . . 4.100 1.916 1.709 3.524 . 0 0 "[ . 1 . 2]" 4
78 1 19 ALA HA 1 21 VAL H . . 4.640 3.881 3.718 4.148 . 0 0 "[ . 1 . 2]" 4
79 1 19 ALA HA 1 63 LEU MD1 . . 4.090 2.933 2.654 3.931 . 0 0 "[ . 1 . 2]" 4
80 1 19 ALA HA 1 63 LEU MD2 . . 3.240 2.747 1.999 3.262 0.022 20 0 "[ . 1 . 2]" 4
81 1 19 ALA MB 1 20 LYS H . . 3.340 2.909 2.669 3.124 . 0 0 "[ . 1 . 2]" 4
82 1 19 ALA MB 1 21 VAL H . . 4.560 4.495 4.396 4.608 0.048 8 0 "[ . 1 . 2]" 4
83 1 19 ALA MB 1 22 VAL H . . 4.320 4.365 4.277 4.407 0.087 18 0 "[ . 1 . 2]" 4
84 1 19 ALA MB 1 63 LEU MD1 . . 3.540 3.209 2.790 3.641 0.101 18 0 "[ . 1 . 2]" 4
85 1 19 ALA MB 1 63 LEU MD2 . . 3.000 1.855 1.787 2.003 . 0 0 "[ . 1 . 2]" 4
86 1 20 LYS H 1 20 LYS QB . . 3.340 2.623 2.392 2.880 . 0 0 "[ . 1 . 2]" 4
87 1 20 LYS H 1 20 LYS QD . . 3.860 2.076 1.571 3.634 . 0 0 "[ . 1 . 2]" 4
88 1 20 LYS H 1 20 LYS QG . . 3.610 2.896 2.062 3.367 . 0 0 "[ . 1 . 2]" 4
89 1 20 LYS H 1 21 VAL H . . 3.850 2.617 2.402 2.856 . 0 0 "[ . 1 . 2]" 4
90 1 20 LYS H 1 22 VAL H . . 4.440 4.069 3.806 4.238 . 0 0 "[ . 1 . 2]" 4
91 1 20 LYS HA 1 20 LYS QD . . 3.660 3.198 1.919 3.730 0.070 15 0 "[ . 1 . 2]" 4
92 1 20 LYS HA 1 20 LYS QE . . 4.520 4.069 3.865 4.405 . 0 0 "[ . 1 . 2]" 4
93 1 20 LYS HA 1 22 VAL H . . 4.640 3.856 3.560 4.230 . 0 0 "[ . 1 . 2]" 4
94 1 20 LYS QB 1 20 LYS QD . . 2.870 2.494 2.297 2.714 . 0 0 "[ . 1 . 2]" 4
95 1 20 LYS QB 1 20 LYS QE . . 4.010 2.876 1.935 3.880 . 0 0 "[ . 1 . 2]" 4
96 1 20 LYS QB 1 21 VAL H . . 4.150 3.239 2.456 3.887 . 0 0 "[ . 1 . 2]" 4
97 1 20 LYS QD 1 21 VAL H . . 4.020 3.658 2.768 4.312 0.292 10 0 "[ . 1 . 2]" 4
98 1 20 LYS QD 1 20 LYS QG . . 2.400 2.045 1.997 2.097 . 0 0 "[ . 1 . 2]" 4
99 1 20 LYS QE 1 20 LYS QG . . 3.380 2.355 2.117 2.806 . 0 0 "[ . 1 . 2]" 4
100 1 20 LYS QG 1 21 VAL H . . 4.350 3.704 3.004 4.501 0.151 14 0 "[ . 1 . 2]" 4
101 1 21 VAL H 1 21 VAL HB . . 3.820 3.693 2.245 3.832 0.012 7 0 "[ . 1 . 2]" 4
102 1 21 VAL H 1 21 VAL MG1 . . 3.380 2.584 2.459 3.595 0.215 9 0 "[ . 1 . 2]" 4
103 1 21 VAL H 1 21 VAL MG2 . . 3.380 2.157 2.061 2.326 . 0 0 "[ . 1 . 2]" 4
104 1 21 VAL H 1 21 VAL QG . . 2.900 2.049 1.976 2.299 . 0 0 "[ . 1 . 2]" 4
105 1 21 VAL H 1 22 VAL H . . 3.360 2.390 2.219 2.567 . 0 0 "[ . 1 . 2]" 4
106 1 21 VAL HA 1 21 VAL MG1 . . 3.700 2.388 2.337 2.474 . 0 0 "[ . 1 . 2]" 4
107 1 21 VAL HA 1 21 VAL MG2 . . 3.700 3.171 2.296 3.234 . 0 0 "[ . 1 . 2]" 4
108 1 21 VAL HA 1 21 VAL QG . . 2.860 2.313 2.115 2.365 . 0 0 "[ . 1 . 2]" 4
109 1 21 VAL HB 1 22 VAL H . . 4.500 4.319 3.530 4.415 . 0 0 "[ . 1 . 2]" 4
110 1 21 VAL QG 1 22 VAL H . . 4.420 3.042 2.820 3.615 . 0 0 "[ . 1 . 2]" 4
111 1 22 VAL H 1 22 VAL HB . . 3.650 3.612 3.023 3.744 0.094 12 0 "[ . 1 . 2]" 4
112 1 22 VAL H 1 22 VAL MG1 . . 3.800 2.707 2.089 2.998 . 0 0 "[ . 1 . 2]" 4
113 1 22 VAL H 1 22 VAL MG2 . . 3.800 2.450 2.065 3.856 0.056 5 0 "[ . 1 . 2]" 4
114 1 22 VAL H 1 22 VAL QG . . 2.960 2.065 2.020 2.156 . 0 0 "[ . 1 . 2]" 4
115 1 22 VAL HA 1 22 VAL QG . . 3.130 2.347 2.264 2.452 . 0 0 "[ . 1 . 2]" 4
116 1 22 VAL HA 1 23 ARG H . . 3.360 2.427 2.297 2.614 . 0 0 "[ . 1 . 2]" 4
117 1 22 VAL HA 1 44 ARG H . . 3.710 2.633 2.238 3.723 0.013 17 0 "[ . 1 . 2]" 4
118 1 22 VAL HB 1 23 ARG H . . 3.620 2.622 2.170 3.774 0.154 5 0 "[ . 1 . 2]" 4
119 1 22 VAL HB 1 41 PHE HB3 . . 4.260 3.537 2.999 3.936 . 0 0 "[ . 1 . 2]" 4
120 1 22 VAL HB 1 43 PRO HA . . 3.950 3.063 2.486 3.414 . 0 0 "[ . 1 . 2]" 4
121 1 22 VAL HB 1 43 PRO QD . . 5.500 4.855 4.501 5.423 . 0 0 "[ . 1 . 2]" 4
122 1 22 VAL MG1 1 23 ARG H . . 4.060 3.665 3.473 3.782 . 0 0 "[ . 1 . 2]" 4
123 1 22 VAL MG1 1 41 PHE HB3 . . 3.970 2.473 1.899 3.999 0.029 6 0 "[ . 1 . 2]" 4
124 1 22 VAL MG1 1 41 PHE HD1 . . 3.740 3.724 3.465 3.774 0.034 6 0 "[ . 1 . 2]" 4
125 1 22 VAL MG2 1 23 ARG H . . 4.060 3.082 1.895 3.624 . 0 0 "[ . 1 . 2]" 4
126 1 22 VAL MG2 1 41 PHE HB3 . . 3.970 3.470 2.121 3.984 0.014 3 0 "[ . 1 . 2]" 4
127 1 22 VAL MG2 1 41 PHE HD1 . . 3.740 3.460 2.679 3.752 0.012 15 0 "[ . 1 . 2]" 4
128 1 22 VAL QG 1 23 ARG H . . 3.510 2.878 1.886 3.288 . 0 0 "[ . 1 . 2]" 4
129 1 22 VAL QG 1 41 PHE HB3 . . 3.140 2.157 1.889 2.686 . 0 0 "[ . 1 . 2]" 4
130 1 22 VAL QG 1 42 LEU H . . 3.870 3.343 2.460 3.746 . 0 0 "[ . 1 . 2]" 4
131 1 22 VAL QG 1 43 PRO QD . . 3.860 3.717 3.307 3.871 0.011 17 0 "[ . 1 . 2]" 4
132 1 22 VAL QG 1 63 LEU MD1 . . 3.270 2.823 2.075 3.333 0.063 18 0 "[ . 1 . 2]" 4
133 1 23 ARG H 1 23 ARG HB2 . . 4.120 2.867 2.493 3.738 . 0 0 "[ . 1 . 2]" 4
134 1 23 ARG H 1 23 ARG HB3 . . 4.120 2.702 2.159 3.692 . 0 0 "[ . 1 . 2]" 4
135 1 23 ARG H 1 23 ARG QB . . 3.560 2.375 2.087 2.966 . 0 0 "[ . 1 . 2]" 4
136 1 23 ARG H 1 23 ARG QG . . 3.580 3.251 2.097 3.803 0.223 18 0 "[ . 1 . 2]" 4
137 1 23 ARG H 1 43 PRO HA . . 4.190 3.134 2.468 3.523 . 0 0 "[ . 1 . 2]" 4
138 1 23 ARG H 1 44 ARG H . . 4.490 4.165 3.792 4.511 0.021 10 0 "[ . 1 . 2]" 4
139 1 23 ARG HA 1 23 ARG QD . . 3.690 3.849 3.788 3.978 0.288 9 0 "[ . 1 . 2]" 4
140 1 23 ARG HA 1 23 ARG QG . . 3.510 2.513 2.279 3.339 . 0 0 "[ . 1 . 2]" 4
141 1 23 ARG HA 1 67 LEU QD . . 3.950 3.700 2.545 4.035 0.085 14 0 "[ . 1 . 2]" 4
142 1 23 ARG HB2 1 23 ARG QD . . 2.710 2.278 2.085 2.772 0.062 16 0 "[ . 1 . 2]" 4
143 1 23 ARG HB2 1 23 ARG QG . . 2.460 2.309 2.251 2.338 . 0 0 "[ . 1 . 2]" 4
144 1 23 ARG HB3 1 23 ARG QD . . 2.710 2.279 2.080 2.406 . 0 0 "[ . 1 . 2]" 4
145 1 23 ARG HB3 1 23 ARG QG . . 2.460 2.272 2.202 2.381 . 0 0 "[ . 1 . 2]" 4
146 1 23 ARG QB 1 23 ARG QD . . 2.300 2.021 1.894 2.092 . 0 0 "[ . 1 . 2]" 4
147 1 23 ARG QG 1 24 SER H . . 3.620 3.236 2.487 3.697 0.077 16 0 "[ . 1 . 2]" 4
148 1 24 SER H 1 25 TYR H . . 4.750 4.239 4.098 4.351 . 0 0 "[ . 1 . 2]" 4
149 1 24 SER H 1 42 LEU H . . 3.990 3.409 3.123 3.789 . 0 0 "[ . 1 . 2]" 4
150 1 24 SER H 1 67 LEU MD1 . . 4.230 3.915 3.695 4.238 0.008 1 0 "[ . 1 . 2]" 4
151 1 24 SER H 1 67 LEU MD2 . . 4.230 3.675 3.386 4.011 . 0 0 "[ . 1 . 2]" 4
152 1 24 SER H 1 67 LEU QD . . 3.610 3.360 3.165 3.540 . 0 0 "[ . 1 . 2]" 4
153 1 24 SER HA 1 67 LEU QD . . 3.960 2.128 1.762 2.733 . 0 0 "[ . 1 . 2]" 4
154 1 24 SER HB2 1 25 TYR H . . 3.750 3.059 2.018 3.690 . 0 0 "[ . 1 . 2]" 4
155 1 24 SER HB3 1 25 TYR H . . 3.750 2.932 2.063 3.649 . 0 0 "[ . 1 . 2]" 4
156 1 24 SER QB 1 25 TYR H . . 3.220 2.428 2.006 2.979 . 0 0 "[ . 1 . 2]" 4
157 1 25 TYR H 1 25 TYR QD . . 3.880 2.720 2.346 3.063 . 0 0 "[ . 1 . 2]" 4
158 1 25 TYR H 1 67 LEU QB . . 4.760 3.249 2.787 3.694 . 0 0 "[ . 1 . 2]" 4
159 1 25 TYR H 1 67 LEU MD1 . . 4.590 3.185 2.814 3.633 . 0 0 "[ . 1 . 2]" 4
160 1 25 TYR H 1 67 LEU MD2 . . 4.590 4.351 4.108 4.650 0.060 11 0 "[ . 1 . 2]" 4
161 1 25 TYR HA 1 26 ARG H . . 3.200 2.459 2.347 2.540 . 0 0 "[ . 1 . 2]" 4
162 1 25 TYR HA 1 41 PHE HA . . 3.460 2.688 2.543 3.066 . 0 0 "[ . 1 . 2]" 4
163 1 25 TYR HA 1 42 LEU H . . 3.650 2.667 2.370 3.020 . 0 0 "[ . 1 . 2]" 4
164 1 25 TYR HA 1 67 LEU QD . . 4.050 3.641 3.463 4.010 . 0 0 "[ . 1 . 2]" 4
165 1 25 TYR HB2 1 26 ARG H . . 3.850 2.190 2.081 2.353 . 0 0 "[ . 1 . 2]" 4
166 1 25 TYR HB2 1 39 ILE MD . . 3.510 3.051 2.972 3.140 . 0 0 "[ . 1 . 2]" 4
167 1 25 TYR HB3 1 26 ARG H . . 4.200 3.614 3.533 3.729 . 0 0 "[ . 1 . 2]" 4
168 1 25 TYR HB3 1 39 ILE MD . . 4.000 3.972 3.755 4.079 0.079 5 0 "[ . 1 . 2]" 4
169 1 25 TYR HB3 1 41 PHE HD1 . . 3.770 2.908 2.584 3.083 . 0 0 "[ . 1 . 2]" 4
170 1 25 TYR HB3 1 41 PHE HE1 . . 3.950 3.962 3.820 4.061 0.111 18 0 "[ . 1 . 2]" 4
171 1 25 TYR QD 1 26 ARG H . . 4.590 3.080 2.774 3.425 . 0 0 "[ . 1 . 2]" 4
172 1 25 TYR QD 1 39 ILE MD . . 3.350 2.342 2.100 2.557 . 0 0 "[ . 1 . 2]" 4
173 1 25 TYR QD 1 39 ILE MG . . 4.050 2.907 2.715 3.121 . 0 0 "[ . 1 . 2]" 4
174 1 25 TYR QD 1 63 LEU QB . . 4.390 4.455 4.353 4.534 0.144 20 0 "[ . 1 . 2]" 4
175 1 25 TYR QD 1 64 MET HA . . 4.420 2.897 2.630 3.316 . 0 0 "[ . 1 . 2]" 4
176 1 25 TYR QD 1 67 LEU HB2 . . 3.940 2.073 1.926 2.264 . 0 0 "[ . 1 . 2]" 4
177 1 25 TYR QD 1 67 LEU HB3 . . 3.940 2.421 2.157 2.679 . 0 0 "[ . 1 . 2]" 4
178 1 25 TYR QD 1 67 LEU QB . . 3.320 1.959 1.799 2.112 . 0 0 "[ . 1 . 2]" 4
179 1 25 TYR QD 1 67 LEU MD1 . . 4.410 1.867 1.786 1.978 . 0 0 "[ . 1 . 2]" 4
180 1 25 TYR QD 1 67 LEU MD2 . . 4.410 3.730 3.670 3.820 . 0 0 "[ . 1 . 2]" 4
181 1 25 TYR QD 1 67 LEU QD . . 3.160 1.862 1.782 1.970 . 0 0 "[ . 1 . 2]" 4
182 1 25 TYR QE 1 39 ILE MD . . 3.830 3.023 2.859 3.137 . 0 0 "[ . 1 . 2]" 4
183 1 25 TYR QE 1 39 ILE MG . . 4.340 4.374 4.318 4.409 0.069 20 0 "[ . 1 . 2]" 4
184 1 25 TYR QE 1 64 MET HA . . 3.530 2.467 2.204 2.722 . 0 0 "[ . 1 . 2]" 4
185 1 25 TYR QE 1 64 MET QB . . 3.830 3.252 2.943 3.834 0.004 2 0 "[ . 1 . 2]" 4
186 1 25 TYR QE 1 67 LEU HB2 . . 3.920 2.030 1.928 2.110 . 0 0 "[ . 1 . 2]" 4
187 1 25 TYR QE 1 67 LEU HB3 . . 3.920 3.117 3.003 3.351 . 0 0 "[ . 1 . 2]" 4
188 1 25 TYR QE 1 67 LEU QB . . 3.310 2.005 1.909 2.086 . 0 0 "[ . 1 . 2]" 4
189 1 25 TYR QE 1 67 LEU MD1 . . 4.600 3.440 3.386 3.497 . 0 0 "[ . 1 . 2]" 4
190 1 25 TYR QE 1 67 LEU MD2 . . 4.600 4.690 4.644 4.783 0.183 2 0 "[ . 1 . 2]" 4
191 1 25 TYR QE 1 67 LEU QD . . 3.320 3.358 3.310 3.406 0.086 6 0 "[ . 1 . 2]" 4
192 1 25 TYR QE 1 68 ASP H . . 4.060 2.795 2.396 3.085 . 0 0 "[ . 1 . 2]" 4
193 1 25 TYR QE 1 68 ASP HA . . 4.390 3.427 2.930 3.906 . 0 0 "[ . 1 . 2]" 4
194 1 26 ARG H 1 26 ARG HB2 . . 4.050 3.169 2.890 3.876 . 0 0 "[ . 1 . 2]" 4
195 1 26 ARG H 1 26 ARG HB3 . . 4.050 2.766 2.458 3.903 . 0 0 "[ . 1 . 2]" 4
196 1 26 ARG H 1 26 ARG QB . . 3.310 2.576 2.363 3.150 . 0 0 "[ . 1 . 2]" 4
197 1 26 ARG H 1 39 ILE MD . . 3.920 3.989 3.781 4.072 0.152 6 0 "[ . 1 . 2]" 4
198 1 26 ARG H 1 39 ILE MG . . 4.030 3.383 3.227 3.613 . 0 0 "[ . 1 . 2]" 4
199 1 26 ARG H 1 40 LEU H . . 3.910 2.739 2.480 3.021 . 0 0 "[ . 1 . 2]" 4
200 1 26 ARG H 1 40 LEU QB . . 3.730 2.865 2.318 3.177 . 0 0 "[ . 1 . 2]" 4
201 1 26 ARG H 1 40 LEU QD . . 4.010 4.040 3.778 4.133 0.123 14 0 "[ . 1 . 2]" 4
202 1 26 ARG H 1 41 PHE HA . . 4.810 4.038 3.800 4.428 . 0 0 "[ . 1 . 2]" 4
203 1 26 ARG HA 1 26 ARG HD2 . . 4.210 4.056 3.191 4.318 0.108 10 0 "[ . 1 . 2]" 4
204 1 26 ARG HA 1 26 ARG HD3 . . 4.210 3.676 3.107 4.412 0.202 11 0 "[ . 1 . 2]" 4
205 1 26 ARG HA 1 26 ARG QB . . 2.620 2.351 2.108 2.448 . 0 0 "[ . 1 . 2]" 4
206 1 26 ARG HA 1 26 ARG QD . . 3.670 3.334 3.006 3.842 0.172 5 0 "[ . 1 . 2]" 4
207 1 26 ARG HA 1 27 LYS H . . 3.450 2.165 2.051 2.388 . 0 0 "[ . 1 . 2]" 4
208 1 26 ARG HD2 1 40 LEU MD1 . . 5.300 3.606 1.940 5.284 . 0 0 "[ . 1 . 2]" 4
209 1 26 ARG HD2 1 40 LEU MD2 . . 5.300 3.098 1.957 5.329 0.029 16 0 "[ . 1 . 2]" 4
210 1 26 ARG HD3 1 40 LEU MD1 . . 5.300 4.384 2.528 5.477 0.177 1 0 "[ . 1 . 2]" 4
211 1 26 ARG HD3 1 40 LEU MD2 . . 5.300 3.618 2.433 5.172 . 0 0 "[ . 1 . 2]" 4
212 1 26 ARG QB 1 26 ARG QD . . 2.700 2.274 1.770 2.661 . 0 0 "[ . 1 . 2]" 4
213 1 26 ARG QB 1 40 LEU QD . . 3.520 3.146 2.455 3.709 0.189 5 0 "[ . 1 . 2]" 4
214 1 26 ARG QD 1 40 LEU QD . . 3.020 2.399 1.888 3.138 0.118 5 0 "[ . 1 . 2]" 4
215 1 27 LYS H 1 27 LYS HB2 . . 3.670 2.842 2.232 3.724 0.054 2 0 "[ . 1 . 2]" 4
216 1 27 LYS H 1 27 LYS HB3 . . 3.670 3.064 2.194 3.655 . 0 0 "[ . 1 . 2]" 4
217 1 27 LYS H 1 27 LYS HG2 . . 4.400 3.258 1.823 4.234 . 0 0 "[ . 1 . 2]" 4
218 1 27 LYS H 1 27 LYS HG3 . . 4.400 3.246 2.281 4.432 0.032 16 0 "[ . 1 . 2]" 4
219 1 27 LYS H 1 27 LYS QB . . 3.190 2.397 2.076 2.723 . 0 0 "[ . 1 . 2]" 4
220 1 27 LYS H 1 27 LYS QD . . 4.220 3.926 1.697 4.322 0.102 10 0 "[ . 1 . 2]" 4
221 1 27 LYS H 1 27 LYS QG . . 3.800 2.665 1.812 3.843 0.043 10 0 "[ . 1 . 2]" 4
222 1 27 LYS HA 1 27 LYS HG2 . . 4.240 3.047 2.393 3.766 . 0 0 "[ . 1 . 2]" 4
223 1 27 LYS HA 1 27 LYS HG3 . . 4.240 3.267 2.601 4.265 0.025 5 0 "[ . 1 . 2]" 4
224 1 27 LYS HA 1 27 LYS QD . . 4.460 3.984 2.085 4.500 0.040 7 0 "[ . 1 . 2]" 4
225 1 27 LYS HA 1 27 LYS QE . . 3.820 3.905 3.099 4.111 0.291 12 0 "[ . 1 . 2]" 4
226 1 27 LYS HA 1 27 LYS QG . . 3.650 2.756 2.249 3.530 . 0 0 "[ . 1 . 2]" 4
227 1 27 LYS HA 1 28 GLN H . . 3.140 2.133 2.015 2.248 . 0 0 "[ . 1 . 2]" 4
228 1 27 LYS HA 1 40 LEU H . . 4.540 3.607 3.151 4.308 . 0 0 "[ . 1 . 2]" 4
229 1 27 LYS HG2 1 28 GLN H . . 4.790 4.201 3.155 4.887 0.097 8 0 "[ . 1 . 2]" 4
230 1 27 LYS HG3 1 28 GLN H . . 4.790 4.412 3.244 4.880 0.090 13 0 "[ . 1 . 2]" 4
231 1 27 LYS QB 1 27 LYS QD . . 2.930 2.343 2.049 2.795 . 0 0 "[ . 1 . 2]" 4
232 1 27 LYS QB 1 27 LYS QE . . 3.350 2.004 1.755 3.647 0.297 17 0 "[ . 1 . 2]" 4
233 1 27 LYS QB 1 28 GLN H . . 4.200 3.023 2.680 3.886 . 0 0 "[ . 1 . 2]" 4
234 1 27 LYS QD 1 27 LYS QG . . 2.290 2.015 1.980 2.077 . 0 0 "[ . 1 . 2]" 4
235 1 27 LYS QG 1 28 GLN H . . 4.040 3.761 2.855 4.150 0.110 3 0 "[ . 1 . 2]" 4
236 1 28 GLN H 1 28 GLN QB . . 3.380 2.411 2.237 2.669 . 0 0 "[ . 1 . 2]" 4
237 1 28 GLN H 1 28 GLN QG . . 4.150 4.001 3.911 4.105 . 0 0 "[ . 1 . 2]" 4
238 1 28 GLN H 1 39 ILE HA . . 4.440 3.724 3.234 4.435 . 0 0 "[ . 1 . 2]" 4
239 1 28 GLN H 1 40 LEU QD . . 4.560 3.526 3.007 4.691 0.131 16 0 "[ . 1 . 2]" 4
240 1 28 GLN HA 1 28 GLN HG2 . . 2.840 2.907 2.784 2.986 0.146 4 0 "[ . 1 . 2]" 4
241 1 28 GLN HA 1 28 GLN HG3 . . 2.840 2.465 2.262 2.708 . 0 0 "[ . 1 . 2]" 4
242 1 28 GLN HA 1 28 GLN QB . . 2.630 2.398 2.339 2.444 . 0 0 "[ . 1 . 2]" 4
243 1 28 GLN HA 1 29 GLU H . . 3.100 2.067 1.961 2.153 . 0 0 "[ . 1 . 2]" 4
244 1 28 GLN HG2 1 29 GLU H . . 3.770 3.193 2.902 3.434 . 0 0 "[ . 1 . 2]" 4
245 1 28 GLN HG3 1 29 GLU H . . 3.770 3.468 3.032 3.796 0.026 3 0 "[ . 1 . 2]" 4
246 1 28 GLN QB 1 29 GLU H . . 4.110 3.777 3.678 3.861 . 0 0 "[ . 1 . 2]" 4
247 1 28 GLN QB 1 37 PRO HA . . 3.660 3.626 2.944 3.779 0.119 16 0 "[ . 1 . 2]" 4
248 1 28 GLN QB 1 38 ALA H . . 3.450 2.210 1.779 2.433 . 0 0 "[ . 1 . 2]" 4
249 1 28 GLN QB 1 38 ALA MB . . 3.570 2.131 1.940 2.721 . 0 0 "[ . 1 . 2]" 4
250 1 28 GLN QB 1 40 LEU QD . . 3.330 2.172 1.815 2.896 . 0 0 "[ . 1 . 2]" 4
251 1 28 GLN QG 1 29 GLU H . . 3.290 2.942 2.712 3.147 . 0 0 "[ . 1 . 2]" 4
252 1 28 GLN QG 1 38 ALA H . . 4.040 3.893 3.383 4.091 0.051 18 0 "[ . 1 . 2]" 4
253 1 28 GLN QG 1 40 LEU QD . . 3.870 3.455 2.848 3.881 0.011 8 0 "[ . 1 . 2]" 4
254 1 30 PRO HA 1 31 SER H . . 3.360 3.162 2.310 3.444 0.084 6 0 "[ . 1 . 2]" 4
255 1 30 PRO HA 1 34 CYS H . . 4.480 2.985 2.192 3.811 . 0 0 "[ . 1 . 2]" 4
256 1 30 PRO HB2 1 31 SER H . . 4.480 3.396 2.274 4.295 . 0 0 "[ . 1 . 2]" 4
257 1 30 PRO HB3 1 31 SER H . . 4.480 4.294 3.681 4.581 0.101 1 0 "[ . 1 . 2]" 4
258 1 30 PRO HG3 1 37 PRO QD . . 3.370 2.657 2.425 3.397 0.027 1 0 "[ . 1 . 2]" 4
259 1 30 PRO HG3 1 38 ALA H . . 4.250 4.321 4.266 4.367 0.117 11 0 "[ . 1 . 2]" 4
260 1 30 PRO QB 1 37 PRO QD . . 3.430 3.402 2.490 3.504 0.074 2 0 "[ . 1 . 2]" 4
261 1 31 SER H 1 31 SER QB . . 3.670 2.470 2.237 2.634 . 0 0 "[ . 1 . 2]" 4
262 1 31 SER H 1 32 LEU H . . 4.540 2.483 1.907 2.766 . 0 0 "[ . 1 . 2]" 4
263 1 31 SER H 1 34 CYS H . . 4.510 4.611 4.440 4.706 0.196 8 0 "[ . 1 . 2]" 4
264 1 31 SER HA 1 31 SER HB2 . . 3.000 2.881 2.463 3.025 0.025 12 0 "[ . 1 . 2]" 4
265 1 31 SER HA 1 31 SER HB3 . . 3.000 2.543 2.349 3.022 0.022 17 0 "[ . 1 . 2]" 4
266 1 31 SER HA 1 31 SER QB . . 2.510 2.333 2.164 2.384 . 0 0 "[ . 1 . 2]" 4
267 1 31 SER HB2 1 32 LEU H . . 4.050 3.186 2.316 4.081 0.031 17 0 "[ . 1 . 2]" 4
268 1 31 SER HB3 1 32 LEU H . . 4.050 3.766 2.819 4.106 0.056 8 0 "[ . 1 . 2]" 4
269 1 31 SER QB 1 32 LEU H . . 3.380 2.887 2.289 3.403 0.023 19 0 "[ . 1 . 2]" 4
270 1 32 LEU H 1 32 LEU QB . . 3.480 2.312 2.161 2.472 . 0 0 "[ . 1 . 2]" 4
271 1 32 LEU H 1 32 LEU QD . . 4.310 2.944 2.071 3.735 . 0 0 "[ . 1 . 2]" 4
272 1 32 LEU HA 1 32 LEU MD1 . . 3.190 2.627 2.019 3.402 0.212 19 0 "[ . 1 . 2]" 4
273 1 32 LEU HA 1 32 LEU MD2 . . 3.190 2.662 2.136 3.199 0.009 7 0 "[ . 1 . 2]" 4
274 1 32 LEU HA 1 32 LEU QD . . 2.740 2.157 1.981 2.928 0.188 19 0 "[ . 1 . 2]" 4
275 1 32 LEU HA 1 33 GLY H . . 3.530 3.370 3.160 3.560 0.030 3 0 "[ . 1 . 2]" 4
276 1 32 LEU QB 1 32 LEU HG . . 2.400 2.188 2.143 2.452 0.052 7 0 "[ . 1 . 2]" 4
277 1 32 LEU QB 1 33 GLY H . . 4.130 2.984 2.353 3.628 . 0 0 "[ . 1 . 2]" 4
278 1 32 LEU QD 1 33 GLY H . . 4.870 3.607 2.989 4.044 . 0 0 "[ . 1 . 2]" 4
279 1 33 GLY H 1 34 CYS H . . 3.470 2.243 1.958 3.057 . 0 0 "[ . 1 . 2]" 4
280 1 34 CYS H 1 34 CYS HB2 . . 4.070 2.947 2.478 3.865 . 0 0 "[ . 1 . 2]" 4
281 1 34 CYS H 1 34 CYS HB3 . . 4.070 3.434 2.795 3.878 . 0 0 "[ . 1 . 2]" 4
282 1 34 CYS H 1 34 CYS QB . . 3.480 2.683 2.441 3.145 . 0 0 "[ . 1 . 2]" 4
283 1 34 CYS H 1 35 SER H . . 4.430 4.384 4.322 4.460 0.030 15 0 "[ . 1 . 2]" 4
284 1 34 CYS HA 1 35 SER H . . 3.270 2.321 2.215 2.536 . 0 0 "[ . 1 . 2]" 4
285 1 34 CYS HB2 1 35 SER H . . 4.230 3.780 2.783 4.137 . 0 0 "[ . 1 . 2]" 4
286 1 34 CYS HB3 1 35 SER H . . 4.230 3.110 2.142 3.949 . 0 0 "[ . 1 . 2]" 4
287 1 34 CYS QB 1 35 SER H . . 3.710 2.904 2.122 3.488 . 0 0 "[ . 1 . 2]" 4
288 1 35 SER H 1 35 SER QB . . 3.770 2.428 2.226 2.717 . 0 0 "[ . 1 . 2]" 4
289 1 35 SER H 1 36 ILE H . . 3.870 2.471 2.236 2.708 . 0 0 "[ . 1 . 2]" 4
290 1 36 ILE H 1 36 ILE MD . . 4.050 3.582 1.636 4.021 . 0 0 "[ . 1 . 2]" 4
291 1 36 ILE H 1 36 ILE QG . . 4.320 2.395 2.000 3.741 . 0 0 "[ . 1 . 2]" 4
292 1 36 ILE H 1 36 ILE MG . . 3.850 3.074 2.730 3.844 . 0 0 "[ . 1 . 2]" 4
293 1 36 ILE H 1 37 PRO QD . . 4.460 4.320 4.134 4.406 . 0 0 "[ . 1 . 2]" 4
294 1 37 PRO HA 1 38 ALA H . . 3.210 2.190 2.069 2.340 . 0 0 "[ . 1 . 2]" 4
295 1 37 PRO HB2 1 38 ALA H . . 4.050 2.858 2.680 3.112 . 0 0 "[ . 1 . 2]" 4
296 1 37 PRO HB3 1 38 ALA H . . 4.130 3.620 3.404 3.832 . 0 0 "[ . 1 . 2]" 4
297 1 37 PRO QG 1 38 ALA H . . 4.160 4.205 4.111 4.275 0.115 6 0 "[ . 1 . 2]" 4
298 1 38 ALA H 1 38 ALA MB . . 3.360 2.589 2.529 2.716 . 0 0 "[ . 1 . 2]" 4
299 1 38 ALA HA 1 39 ILE H . . 3.290 2.244 2.116 2.407 . 0 0 "[ . 1 . 2]" 4
300 1 38 ALA MB 1 39 ILE H . . 3.160 2.642 2.251 3.123 . 0 0 "[ . 1 . 2]" 4
301 1 38 ALA MB 1 40 LEU H . . 4.370 4.393 4.344 4.434 0.064 15 0 "[ . 1 . 2]" 4
302 1 38 ALA MB 1 53 ALA H . . 4.180 3.494 2.769 4.214 0.034 6 0 "[ . 1 . 2]" 4
303 1 39 ILE H 1 39 ILE HB . . 3.630 2.475 2.344 2.609 . 0 0 "[ . 1 . 2]" 4
304 1 39 ILE H 1 39 ILE MD . . 4.500 3.973 3.797 4.078 . 0 0 "[ . 1 . 2]" 4
305 1 39 ILE H 1 39 ILE QG . . 3.960 2.983 2.838 3.158 . 0 0 "[ . 1 . 2]" 4
306 1 39 ILE H 1 39 ILE MG . . 4.450 3.738 3.679 3.791 . 0 0 "[ . 1 . 2]" 4
307 1 39 ILE H 1 53 ALA H . . 3.980 3.032 2.710 3.386 . 0 0 "[ . 1 . 2]" 4
308 1 39 ILE H 1 60 VAL QG . . 4.140 3.898 3.617 4.126 . 0 0 "[ . 1 . 2]" 4
309 1 39 ILE HA 1 39 ILE MD . . 3.360 1.959 1.888 2.038 . 0 0 "[ . 1 . 2]" 4
310 1 39 ILE HA 1 39 ILE MG . . 2.930 2.578 2.509 2.632 . 0 0 "[ . 1 . 2]" 4
311 1 39 ILE HA 1 40 LEU H . . 3.270 2.033 1.975 2.083 . 0 0 "[ . 1 . 2]" 4
312 1 39 ILE HB 1 39 ILE MD . . 3.320 3.212 3.192 3.226 . 0 0 "[ . 1 . 2]" 4
313 1 39 ILE HB 1 60 VAL QG . . 3.000 2.230 2.083 2.405 . 0 0 "[ . 1 . 2]" 4
314 1 39 ILE MD 1 40 LEU H . . 3.330 3.378 3.295 3.437 0.107 7 0 "[ . 1 . 2]" 4
315 1 39 ILE MD 1 55 PRO HB3 . . 3.970 3.522 3.222 3.718 . 0 0 "[ . 1 . 2]" 4
316 1 39 ILE MD 1 60 VAL QG . . 3.470 3.455 3.281 3.618 0.148 9 0 "[ . 1 . 2]" 4
317 1 39 ILE MD 1 64 MET H . . 5.000 5.079 4.939 5.139 0.139 19 0 "[ . 1 . 2]" 4
318 1 39 ILE QG 1 55 PRO HA . . 3.520 3.470 3.284 3.601 0.081 7 0 "[ . 1 . 2]" 4
319 1 39 ILE QG 1 55 PRO HB2 . . 3.490 3.192 3.007 3.365 . 0 0 "[ . 1 . 2]" 4
320 1 39 ILE QG 1 55 PRO HB3 . . 3.580 1.920 1.799 2.007 . 0 0 "[ . 1 . 2]" 4
321 1 39 ILE QG 1 60 VAL QG . . 3.000 2.274 2.079 2.421 . 0 0 "[ . 1 . 2]" 4
322 1 39 ILE MD 1 39 ILE MG . . 3.050 1.881 1.822 1.947 . 0 0 "[ . 1 . 2]" 4
323 1 39 ILE QG 1 39 ILE MG . . 2.800 2.318 2.283 2.370 . 0 0 "[ . 1 . 2]" 4
324 1 39 ILE MG 1 40 LEU H . . 3.730 3.039 2.992 3.095 . 0 0 "[ . 1 . 2]" 4
325 1 39 ILE MG 1 55 PRO HB3 . . 3.860 3.897 3.849 3.951 0.091 16 0 "[ . 1 . 2]" 4
326 1 39 ILE MG 1 60 VAL QG . . 3.050 2.139 2.055 2.213 . 0 0 "[ . 1 . 2]" 4
327 1 40 LEU H 1 40 LEU HB2 . . 3.970 2.397 2.173 2.663 . 0 0 "[ . 1 . 2]" 4
328 1 40 LEU H 1 40 LEU HB3 . . 3.970 3.572 2.612 3.699 . 0 0 "[ . 1 . 2]" 4
329 1 40 LEU H 1 40 LEU QB . . 3.320 2.358 2.136 2.605 . 0 0 "[ . 1 . 2]" 4
330 1 40 LEU H 1 40 LEU MD1 . . 4.060 3.231 2.115 4.142 0.082 16 0 "[ . 1 . 2]" 4
331 1 40 LEU H 1 40 LEU MD2 . . 4.060 3.164 2.247 4.125 0.065 9 0 "[ . 1 . 2]" 4
332 1 40 LEU H 1 40 LEU QD . . 3.520 2.399 2.108 3.531 0.011 16 0 "[ . 1 . 2]" 4
333 1 40 LEU HA 1 40 LEU HG . . 3.760 3.283 2.553 3.814 0.054 20 0 "[ . 1 . 2]" 4
334 1 40 LEU HA 1 40 LEU MD1 . . 3.840 2.619 2.088 3.776 . 0 0 "[ . 1 . 2]" 4
335 1 40 LEU HA 1 40 LEU MD2 . . 3.840 3.077 2.063 3.855 0.015 7 0 "[ . 1 . 2]" 4
336 1 40 LEU HA 1 40 LEU QD . . 3.110 2.371 1.966 2.895 . 0 0 "[ . 1 . 2]" 4
337 1 40 LEU HA 1 41 PHE H . . 3.230 2.120 2.003 2.203 . 0 0 "[ . 1 . 2]" 4
338 1 40 LEU HA 1 53 ALA H . . 4.350 3.340 2.986 3.899 . 0 0 "[ . 1 . 2]" 4
339 1 40 LEU HB2 1 41 PHE H . . 4.530 4.114 3.829 4.537 0.007 16 0 "[ . 1 . 2]" 4
340 1 40 LEU HB3 1 41 PHE H . . 4.530 3.146 2.873 4.120 . 0 0 "[ . 1 . 2]" 4
341 1 40 LEU QB 1 40 LEU QD . . 2.570 1.994 1.901 2.072 . 0 0 "[ . 1 . 2]" 4
342 1 40 LEU QB 1 41 PHE H . . 3.960 3.047 2.812 3.825 . 0 0 "[ . 1 . 2]" 4
343 1 40 LEU MD1 1 52 CYS H . . 4.740 3.893 2.662 4.853 0.113 5 0 "[ . 1 . 2]" 4
344 1 40 LEU MD1 1 52 CYS HA . . 3.970 2.717 1.922 4.102 0.132 2 0 "[ . 1 . 2]" 4
345 1 40 LEU MD2 1 52 CYS H . . 4.740 4.318 3.206 4.855 0.115 14 0 "[ . 1 . 2]" 4
346 1 40 LEU MD2 1 52 CYS HA . . 3.970 3.233 1.866 3.986 0.016 15 0 "[ . 1 . 2]" 4
347 1 40 LEU QD 1 41 PHE H . . 4.200 3.653 2.445 4.181 . 0 0 "[ . 1 . 2]" 4
348 1 40 LEU QD 1 50 GLU QB . . 3.490 2.082 1.831 2.505 . 0 0 "[ . 1 . 2]" 4
349 1 40 LEU QD 1 51 LEU H . . 4.700 3.875 2.698 4.574 . 0 0 "[ . 1 . 2]" 4
350 1 40 LEU QD 1 52 CYS H . . 3.850 3.318 2.649 3.916 0.066 5 0 "[ . 1 . 2]" 4
351 1 40 LEU QD 1 52 CYS HA . . 3.260 2.385 1.863 3.072 . 0 0 "[ . 1 . 2]" 4
352 1 40 LEU QD 1 53 ALA H . . 4.360 3.566 3.012 4.151 . 0 0 "[ . 1 . 2]" 4
353 1 41 PHE H 1 41 PHE HB2 . . 3.870 2.349 2.283 2.430 . 0 0 "[ . 1 . 2]" 4
354 1 41 PHE H 1 41 PHE HD1 . . 4.170 3.904 3.755 4.098 . 0 0 "[ . 1 . 2]" 4
355 1 41 PHE H 1 51 LEU H . . 3.860 3.071 2.625 3.861 0.001 5 0 "[ . 1 . 2]" 4
356 1 41 PHE H 1 51 LEU QB . . 4.310 3.176 2.901 3.412 . 0 0 "[ . 1 . 2]" 4
357 1 41 PHE H 1 52 CYS HA . . 3.990 3.479 3.044 3.970 . 0 0 "[ . 1 . 2]" 4
358 1 41 PHE HA 1 41 PHE HD1 . . 3.890 2.064 1.972 2.169 . 0 0 "[ . 1 . 2]" 4
359 1 41 PHE HA 1 42 LEU H . . 3.330 2.112 2.077 2.166 . 0 0 "[ . 1 . 2]" 4
360 1 41 PHE HB2 1 51 LEU H . . 4.400 3.517 3.092 4.345 . 0 0 "[ . 1 . 2]" 4
361 1 41 PHE HB2 1 51 LEU HB2 . . 3.840 2.456 2.043 2.772 . 0 0 "[ . 1 . 2]" 4
362 1 41 PHE HB2 1 51 LEU HB3 . . 3.840 3.917 3.772 3.968 0.128 3 0 "[ . 1 . 2]" 4
363 1 41 PHE HB2 1 51 LEU QB . . 3.360 2.430 2.035 2.718 . 0 0 "[ . 1 . 2]" 4
364 1 41 PHE HB2 1 53 ALA MB . . 4.180 4.265 4.187 4.320 0.140 17 0 "[ . 1 . 2]" 4
365 1 41 PHE HB3 1 41 PHE HD1 . . 3.560 3.155 3.014 3.258 . 0 0 "[ . 1 . 2]" 4
366 1 41 PHE HB3 1 42 LEU H . . 4.450 3.304 3.177 3.589 . 0 0 "[ . 1 . 2]" 4
367 1 41 PHE HD1 1 42 LEU H . . 4.400 3.845 3.707 3.997 . 0 0 "[ . 1 . 2]" 4
368 1 41 PHE HD1 1 63 LEU MD1 . . 3.980 3.789 3.632 3.982 0.002 16 0 "[ . 1 . 2]" 4
369 1 41 PHE HD1 1 67 LEU QD . . 3.460 3.389 3.016 3.589 0.129 14 0 "[ . 1 . 2]" 4
370 1 41 PHE HE1 1 53 ALA MB . . 3.450 3.553 3.522 3.597 0.147 18 0 "[ . 1 . 2]" 4
371 1 41 PHE HE1 1 60 VAL MG1 . . 4.280 2.686 2.514 3.121 . 0 0 "[ . 1 . 2]" 4
372 1 41 PHE HE1 1 60 VAL MG2 . . 4.280 3.676 3.374 4.106 . 0 0 "[ . 1 . 2]" 4
373 1 41 PHE HE1 1 60 VAL QG . . 3.370 2.619 2.458 2.964 . 0 0 "[ . 1 . 2]" 4
374 1 41 PHE HE1 1 63 LEU HG . . 4.170 4.232 4.192 4.408 0.238 18 0 "[ . 1 . 2]" 4
375 1 41 PHE HE1 1 63 LEU MD1 . . 4.020 2.264 1.932 2.423 . 0 0 "[ . 1 . 2]" 4
376 1 41 PHE HE1 1 67 LEU QD . . 4.590 3.646 3.254 3.918 . 0 0 "[ . 1 . 2]" 4
377 1 41 PHE HZ 1 60 VAL QG . . 3.430 2.116 1.874 2.441 . 0 0 "[ . 1 . 2]" 4
378 1 41 PHE HZ 1 63 LEU QB . . 4.300 4.085 3.752 4.302 0.002 4 0 "[ . 1 . 2]" 4
379 1 41 PHE HZ 1 63 LEU MD1 . . 4.510 2.272 1.960 2.468 . 0 0 "[ . 1 . 2]" 4
380 1 42 LEU H 1 42 LEU HG . . 3.770 2.939 2.610 3.833 0.063 1 0 "[ . 1 . 2]" 4
381 1 42 LEU H 1 42 LEU QB . . 3.580 2.458 2.364 2.539 . 0 0 "[ . 1 . 2]" 4
382 1 42 LEU H 1 42 LEU QD . . 4.140 3.085 2.187 3.423 . 0 0 "[ . 1 . 2]" 4
383 1 43 PRO HA 1 44 ARG H . . 3.300 2.387 2.250 2.575 . 0 0 "[ . 1 . 2]" 4
384 1 43 PRO HA 1 45 LYS H . . 4.670 4.106 3.738 4.328 . 0 0 "[ . 1 . 2]" 4
385 1 43 PRO HB2 1 44 ARG H . . 3.690 2.604 2.335 2.898 . 0 0 "[ . 1 . 2]" 4
386 1 43 PRO HB2 1 45 LYS H . . 4.110 2.218 1.930 2.328 . 0 0 "[ . 1 . 2]" 4
387 1 43 PRO HB3 1 44 ARG H . . 3.860 3.374 2.796 3.719 . 0 0 "[ . 1 . 2]" 4
388 1 43 PRO HB3 1 45 LYS H . . 3.880 3.880 3.545 3.955 0.075 4 0 "[ . 1 . 2]" 4
389 1 43 PRO QG 1 45 LYS H . . 3.620 3.576 3.310 3.688 0.068 13 0 "[ . 1 . 2]" 4
390 1 44 ARG H 1 44 ARG HB2 . . 3.780 2.530 2.373 2.713 . 0 0 "[ . 1 . 2]" 4
391 1 44 ARG H 1 44 ARG HB3 . . 3.780 2.638 2.246 3.691 . 0 0 "[ . 1 . 2]" 4
392 1 44 ARG H 1 44 ARG QB . . 3.290 2.246 2.144 2.622 . 0 0 "[ . 1 . 2]" 4
393 1 44 ARG H 1 44 ARG QG . . 3.860 3.589 2.138 3.952 0.092 14 0 "[ . 1 . 2]" 4
394 1 44 ARG H 1 45 LYS H . . 3.650 2.493 2.346 2.626 . 0 0 "[ . 1 . 2]" 4
395 1 44 ARG HA 1 44 ARG QD . . 3.220 2.279 2.042 3.540 0.320 19 0 "[ . 1 . 2]" 4
396 1 44 ARG HA 1 44 ARG QG . . 3.500 2.939 2.126 3.173 . 0 0 "[ . 1 . 2]" 4
397 1 44 ARG HB2 1 44 ARG QD . . 3.880 2.661 2.020 3.499 . 0 0 "[ . 1 . 2]" 4
398 1 44 ARG HB2 1 45 LYS H . . 4.280 3.725 2.628 4.199 . 0 0 "[ . 1 . 2]" 4
399 1 44 ARG HB3 1 44 ARG QD . . 3.880 3.165 2.077 3.512 . 0 0 "[ . 1 . 2]" 4
400 1 44 ARG HB3 1 45 LYS H . . 4.280 2.978 2.293 3.958 . 0 0 "[ . 1 . 2]" 4
401 1 44 ARG QB 1 44 ARG QD . . 3.380 2.444 1.912 2.886 . 0 0 "[ . 1 . 2]" 4
402 1 44 ARG QB 1 45 LYS H . . 3.670 2.710 2.271 3.115 . 0 0 "[ . 1 . 2]" 4
403 1 44 ARG QG 1 45 LYS H . . 4.080 3.796 3.453 4.121 0.041 6 0 "[ . 1 . 2]" 4
404 1 45 LYS H 1 45 LYS QD . . 3.510 3.300 2.070 3.910 0.400 19 0 "[ . 1 . 2]" 4
405 1 45 LYS HA 1 45 LYS HB2 . . 2.690 2.603 2.326 2.922 0.232 20 0 "[ . 1 . 2]" 4
406 1 45 LYS HA 1 45 LYS QD . . 2.990 2.184 1.724 3.052 0.062 4 0 "[ . 1 . 2]" 4
407 1 45 LYS HA 1 45 LYS QE . . 4.970 3.953 3.272 4.572 . 0 0 "[ . 1 . 2]" 4
408 1 45 LYS HA 1 45 LYS QG . . 3.390 2.689 2.383 2.874 . 0 0 "[ . 1 . 2]" 4
409 1 45 LYS HB2 1 45 LYS QD . . 2.580 2.239 2.065 2.619 0.039 4 0 "[ . 1 . 2]" 4
410 1 45 LYS HB2 1 45 LYS QE . . 4.980 3.743 1.914 4.184 . 0 0 "[ . 1 . 2]" 4
411 1 45 LYS HB2 1 46 ARG H . . 4.030 4.041 3.373 4.234 0.204 12 0 "[ . 1 . 2]" 4
412 1 45 LYS HB3 1 47 SER H . . 4.240 3.655 2.531 4.274 0.034 7 0 "[ . 1 . 2]" 4
413 1 45 LYS QD 1 45 LYS QG . . 2.400 2.064 2.006 2.092 . 0 0 "[ . 1 . 2]" 4
414 1 45 LYS QG 1 46 ARG H . . 4.040 3.190 2.275 4.107 0.067 4 0 "[ . 1 . 2]" 4
415 1 46 ARG H 1 46 ARG QB . . 3.250 2.635 2.287 3.145 . 0 0 "[ . 1 . 2]" 4
416 1 46 ARG H 1 47 SER H . . 3.770 2.880 1.743 3.789 0.019 19 0 "[ . 1 . 2]" 4
417 1 46 ARG HA 1 46 ARG QD . . 3.730 3.159 1.963 3.877 0.147 17 0 "[ . 1 . 2]" 4
418 1 46 ARG HA 1 46 ARG QG . . 3.630 2.814 2.303 3.576 . 0 0 "[ . 1 . 2]" 4
419 1 46 ARG HA 1 47 SER H . . 3.290 2.743 2.084 3.393 0.103 7 0 "[ . 1 . 2]" 4
420 1 46 ARG HA 1 48 GLN H . . 4.310 3.490 2.782 4.336 0.026 9 0 "[ . 1 . 2]" 4
421 1 46 ARG QB 1 46 ARG QD . . 3.170 2.410 2.041 2.864 . 0 0 "[ . 1 . 2]" 4
422 1 46 ARG QB 1 46 ARG QG . . 2.400 2.025 1.990 2.088 . 0 0 "[ . 1 . 2]" 4
423 1 47 SER H 1 47 SER QB . . 3.610 2.639 2.300 3.422 . 0 0 "[ . 1 . 2]" 4
424 1 47 SER H 1 48 GLN H . . 3.740 2.490 1.814 3.766 0.026 7 0 "[ . 1 . 2]" 4
425 1 47 SER HA 1 47 SER QB . . 2.640 2.327 2.186 2.387 . 0 0 "[ . 1 . 2]" 4
426 1 48 GLN H 1 48 GLN HB2 . . 4.030 2.738 2.440 3.969 . 0 0 "[ . 1 . 2]" 4
427 1 48 GLN H 1 48 GLN HB3 . . 4.030 3.624 2.383 3.898 . 0 0 "[ . 1 . 2]" 4
428 1 48 GLN H 1 48 GLN QB . . 3.410 2.603 2.227 3.225 . 0 0 "[ . 1 . 2]" 4
429 1 48 GLN H 1 48 GLN QG . . 3.840 2.873 2.317 3.910 0.070 3 0 "[ . 1 . 2]" 4
430 1 48 GLN HA 1 48 GLN QG . . 3.460 2.618 2.411 3.369 . 0 0 "[ . 1 . 2]" 4
431 1 48 GLN HA 1 49 ALA H . . 3.120 2.403 1.948 2.551 . 0 0 "[ . 1 . 2]" 4
432 1 48 GLN HB2 1 48 GLN QG . . 2.680 2.308 2.146 2.409 . 0 0 "[ . 1 . 2]" 4
433 1 48 GLN HB3 1 48 GLN QG . . 2.680 2.340 2.275 2.375 . 0 0 "[ . 1 . 2]" 4
434 1 48 GLN QB 1 48 GLN QG . . 2.240 2.068 1.979 2.092 . 0 0 "[ . 1 . 2]" 4
435 1 48 GLN QB 1 49 ALA H . . 3.580 2.406 2.162 3.735 0.155 3 0 "[ . 1 . 2]" 4
436 1 48 GLN QG 1 49 ALA H . . 4.110 3.821 3.132 4.163 0.053 5 0 "[ . 1 . 2]" 4
437 1 49 ALA H 1 49 ALA MB . . 2.860 2.317 2.223 2.923 0.063 11 0 "[ . 1 . 2]" 4
438 1 49 ALA HA 1 50 GLU H . . 2.700 2.603 1.991 2.785 0.085 20 0 "[ . 1 . 2]" 4
439 1 49 ALA MB 1 50 GLU H . . 3.100 2.089 1.756 3.180 0.080 11 0 "[ . 1 . 2]" 4
440 1 50 GLU H 1 50 GLU HB2 . . 3.750 2.797 2.418 3.676 . 0 0 "[ . 1 . 2]" 4
441 1 50 GLU H 1 50 GLU HB3 . . 3.750 3.388 2.575 3.641 . 0 0 "[ . 1 . 2]" 4
442 1 50 GLU H 1 50 GLU HG2 . . 3.910 3.105 1.807 3.950 0.040 11 0 "[ . 1 . 2]" 4
443 1 50 GLU H 1 50 GLU HG3 . . 3.910 2.865 1.842 3.656 . 0 0 "[ . 1 . 2]" 4
444 1 50 GLU H 1 50 GLU QB . . 3.240 2.536 2.383 2.847 . 0 0 "[ . 1 . 2]" 4
445 1 50 GLU H 1 50 GLU QG . . 3.230 2.409 1.792 3.249 0.019 2 0 "[ . 1 . 2]" 4
446 1 50 GLU HA 1 50 GLU HG2 . . 3.880 3.329 2.576 3.818 . 0 0 "[ . 1 . 2]" 4
447 1 50 GLU HA 1 50 GLU HG3 . . 3.880 3.142 2.565 3.869 . 0 0 "[ . 1 . 2]" 4
448 1 50 GLU HA 1 50 GLU QG . . 3.260 2.763 2.447 3.333 0.073 18 0 "[ . 1 . 2]" 4
449 1 50 GLU HA 1 51 LEU H . . 3.220 2.195 2.078 2.267 . 0 0 "[ . 1 . 2]" 4
450 1 50 GLU QB 1 51 LEU H . . 3.940 3.298 2.947 3.498 . 0 0 "[ . 1 . 2]" 4
451 1 50 GLU QG 1 51 LEU H . . 4.700 4.353 4.113 4.811 0.111 12 0 "[ . 1 . 2]" 4
452 1 51 LEU H 1 51 LEU HB2 . . 4.070 2.560 2.362 2.888 . 0 0 "[ . 1 . 2]" 4
453 1 51 LEU H 1 51 LEU HB3 . . 4.070 3.673 3.600 3.801 . 0 0 "[ . 1 . 2]" 4
454 1 51 LEU H 1 51 LEU HG . . 3.530 3.516 2.605 3.648 0.118 3 0 "[ . 1 . 2]" 4
455 1 51 LEU H 1 51 LEU QB . . 3.530 2.513 2.332 2.805 . 0 0 "[ . 1 . 2]" 4
456 1 51 LEU H 1 51 LEU QD . . 4.250 2.217 1.989 3.531 . 0 0 "[ . 1 . 2]" 4
457 1 51 LEU HA 1 51 LEU HG . . 4.170 2.559 2.483 2.737 . 0 0 "[ . 1 . 2]" 4
458 1 51 LEU HA 1 51 LEU QD . . 3.250 2.918 2.014 3.128 . 0 0 "[ . 1 . 2]" 4
459 1 51 LEU HG 1 52 CYS H . . 4.410 4.450 4.412 4.626 0.216 6 0 "[ . 1 . 2]" 4
460 1 51 LEU QB 1 51 LEU HG . . 2.460 2.405 2.328 2.438 . 0 0 "[ . 1 . 2]" 4
461 1 51 LEU QB 1 51 LEU QD . . 2.780 1.940 1.910 1.960 . 0 0 "[ . 1 . 2]" 4
462 1 51 LEU QB 1 52 CYS H . . 4.340 3.118 2.696 3.392 . 0 0 "[ . 1 . 2]" 4
463 1 52 CYS H 1 52 CYS HB2 . . 3.400 2.916 2.520 3.522 0.122 6 0 "[ . 1 . 2]" 4
464 1 52 CYS H 1 52 CYS HB3 . . 3.400 2.503 2.297 2.792 . 0 0 "[ . 1 . 2]" 4
465 1 52 CYS HA 1 53 ALA H . . 3.040 2.199 2.086 2.334 . 0 0 "[ . 1 . 2]" 4
466 1 52 CYS HB2 1 53 ALA H . . 4.790 3.589 2.402 4.076 . 0 0 "[ . 1 . 2]" 4
467 1 52 CYS HB3 1 53 ALA H . . 4.790 3.928 3.668 4.072 . 0 0 "[ . 1 . 2]" 4
468 1 52 CYS QB 1 53 ALA H . . 4.150 3.273 2.372 3.587 . 0 0 "[ . 1 . 2]" 4
469 1 53 ALA H 1 53 ALA MB . . 3.330 2.524 2.451 2.603 . 0 0 "[ . 1 . 2]" 4
470 1 53 ALA H 1 54 ASP H . . 4.770 4.292 4.209 4.382 . 0 0 "[ . 1 . 2]" 4
471 1 53 ALA HA 1 54 ASP H . . 3.330 2.312 2.219 2.468 . 0 0 "[ . 1 . 2]" 4
472 1 53 ALA MB 1 54 ASP H . . 3.370 2.671 2.462 2.808 . 0 0 "[ . 1 . 2]" 4
473 1 53 ALA MB 1 59 TRP HH2 . . 3.460 2.924 2.595 3.310 . 0 0 "[ . 1 . 2]" 4
474 1 53 ALA MB 1 59 TRP HZ2 . . 4.070 3.799 3.097 4.102 0.032 7 0 "[ . 1 . 2]" 4
475 1 53 ALA MB 1 60 VAL MG1 . . 3.400 2.845 2.560 3.200 . 0 0 "[ . 1 . 2]" 4
476 1 53 ALA MB 1 60 VAL MG2 . . 3.400 2.340 2.035 2.684 . 0 0 "[ . 1 . 2]" 4
477 1 53 ALA MB 1 60 VAL QG . . 2.790 2.235 1.960 2.554 . 0 0 "[ . 1 . 2]" 4
478 1 54 ASP H 1 60 VAL QG . . 3.920 3.267 2.886 3.594 . 0 0 "[ . 1 . 2]" 4
479 1 55 PRO HA 1 56 LYS H . . 3.540 3.302 3.117 3.429 . 0 0 "[ . 1 . 2]" 4
480 1 55 PRO HA 1 57 GLU H . . 4.000 3.489 3.231 3.644 . 0 0 "[ . 1 . 2]" 4
481 1 55 PRO HA 1 60 VAL QG . . 3.200 1.856 1.777 1.913 . 0 0 "[ . 1 . 2]" 4
482 1 55 PRO HB2 1 56 LYS H . . 3.560 3.674 3.579 3.733 0.173 14 0 "[ . 1 . 2]" 4
483 1 55 PRO HB2 1 60 VAL QG . . 3.300 3.404 3.339 3.468 0.168 20 0 "[ . 1 . 2]" 4
484 1 55 PRO HB3 1 60 VAL QG . . 3.910 2.438 2.253 2.617 . 0 0 "[ . 1 . 2]" 4
485 1 56 LYS H 1 56 LYS QB . . 3.470 2.283 1.800 2.545 . 0 0 "[ . 1 . 2]" 4
486 1 56 LYS H 1 56 LYS QD . . 3.400 2.382 1.897 3.485 0.085 7 0 "[ . 1 . 2]" 4
487 1 56 LYS H 1 56 LYS QE . . 3.680 3.103 2.557 3.765 0.085 18 0 "[ . 1 . 2]" 4
488 1 56 LYS H 1 56 LYS QG . . 3.480 3.329 2.088 3.729 0.249 7 0 "[ . 1 . 2]" 4
489 1 56 LYS H 1 57 GLU H . . 3.470 2.560 2.317 2.778 . 0 0 "[ . 1 . 2]" 4
490 1 56 LYS HA 1 56 LYS QD . . 3.070 2.902 1.906 3.193 0.123 17 0 "[ . 1 . 2]" 4
491 1 56 LYS HA 1 56 LYS QE . . 3.750 2.610 1.740 3.850 0.100 16 0 "[ . 1 . 2]" 4
492 1 56 LYS HA 1 56 LYS QG . . 3.190 2.597 2.320 2.980 . 0 0 "[ . 1 . 2]" 4
493 1 56 LYS QB 1 56 LYS QD . . 2.400 2.354 2.165 2.449 0.049 6 0 "[ . 1 . 2]" 4
494 1 56 LYS QB 1 56 LYS QE . . 3.380 3.352 2.882 3.632 0.252 1 0 "[ . 1 . 2]" 4
495 1 56 LYS QB 1 56 LYS QG . . 2.400 1.970 1.952 1.988 . 0 0 "[ . 1 . 2]" 4
496 1 56 LYS QB 1 57 GLU H . . 3.750 3.066 2.743 3.358 . 0 0 "[ . 1 . 2]" 4
497 1 56 LYS QE 1 56 LYS QG . . 3.480 2.428 1.987 2.771 . 0 0 "[ . 1 . 2]" 4
498 1 57 GLU H 1 57 GLU HB2 . . 3.800 2.463 2.333 2.553 . 0 0 "[ . 1 . 2]" 4
499 1 57 GLU H 1 57 GLU HB3 . . 3.800 3.610 3.546 3.682 . 0 0 "[ . 1 . 2]" 4
500 1 57 GLU H 1 57 GLU HG2 . . 3.800 2.870 2.256 3.679 . 0 0 "[ . 1 . 2]" 4
501 1 57 GLU H 1 57 GLU HG3 . . 3.800 3.259 2.487 3.803 0.003 13 0 "[ . 1 . 2]" 4
502 1 57 GLU H 1 57 GLU QB . . 3.260 2.424 2.303 2.508 . 0 0 "[ . 1 . 2]" 4
503 1 57 GLU HA 1 57 GLU HG2 . . 4.200 2.825 2.491 3.212 . 0 0 "[ . 1 . 2]" 4
504 1 57 GLU HA 1 57 GLU HG3 . . 4.200 3.517 3.035 3.776 . 0 0 "[ . 1 . 2]" 4
505 1 57 GLU HA 1 57 GLU QG . . 3.460 2.714 2.405 3.045 . 0 0 "[ . 1 . 2]" 4
506 1 57 GLU HA 1 58 LEU H . . 3.060 2.245 2.162 2.349 . 0 0 "[ . 1 . 2]" 4
507 1 57 GLU HA 1 59 TRP H . . 4.370 4.269 4.050 4.391 0.021 13 0 "[ . 1 . 2]" 4
508 1 57 GLU HB2 1 58 LEU H . . 3.800 3.821 3.702 3.882 0.082 14 0 "[ . 1 . 2]" 4
509 1 57 GLU HB2 1 60 VAL H . . 4.860 3.076 2.695 3.361 . 0 0 "[ . 1 . 2]" 4
510 1 57 GLU HB3 1 58 LEU H . . 3.800 2.712 2.593 2.810 . 0 0 "[ . 1 . 2]" 4
511 1 57 GLU HB3 1 60 VAL H . . 4.860 3.615 2.917 4.174 . 0 0 "[ . 1 . 2]" 4
512 1 57 GLU QB 1 58 LEU H . . 3.040 2.658 2.546 2.746 . 0 0 "[ . 1 . 2]" 4
513 1 57 GLU QB 1 59 TRP H . . 4.050 2.866 2.625 3.044 . 0 0 "[ . 1 . 2]" 4
514 1 57 GLU QB 1 60 VAL H . . 4.250 2.911 2.486 3.228 . 0 0 "[ . 1 . 2]" 4
515 1 57 GLU QB 1 60 VAL QG . . 3.200 2.412 2.067 2.919 . 0 0 "[ . 1 . 2]" 4
516 1 57 GLU QG 1 58 LEU H . . 4.340 4.212 3.885 4.444 0.104 7 0 "[ . 1 . 2]" 4
517 1 57 GLU QG 1 60 VAL QG . . 4.110 3.593 2.914 4.140 0.030 6 0 "[ . 1 . 2]" 4
518 1 58 LEU H 1 58 LEU HB2 . . 3.610 2.558 2.464 2.704 . 0 0 "[ . 1 . 2]" 4
519 1 58 LEU H 1 58 LEU HB3 . . 3.610 2.436 2.401 2.484 . 0 0 "[ . 1 . 2]" 4
520 1 58 LEU H 1 58 LEU HG . . 4.260 4.344 4.328 4.357 0.097 1 0 "[ . 1 . 2]" 4
521 1 58 LEU H 1 58 LEU MD1 . . 4.470 4.131 4.069 4.217 . 0 0 "[ . 1 . 2]" 4
522 1 58 LEU H 1 58 LEU MD2 . . 4.470 4.243 4.195 4.333 . 0 0 "[ . 1 . 2]" 4
523 1 58 LEU H 1 58 LEU QD . . 3.910 3.728 3.681 3.806 . 0 0 "[ . 1 . 2]" 4
524 1 58 LEU HA 1 58 LEU HG . . 3.680 3.085 3.037 3.145 . 0 0 "[ . 1 . 2]" 4
525 1 58 LEU HA 1 58 LEU QD . . 3.220 2.129 2.085 2.162 . 0 0 "[ . 1 . 2]" 4
526 1 58 LEU HA 1 61 GLN H . . 3.720 3.367 3.120 3.596 . 0 0 "[ . 1 . 2]" 4
527 1 58 LEU HG 1 62 GLN HG2 . . 3.780 3.532 3.374 3.704 . 0 0 "[ . 1 . 2]" 4
528 1 58 LEU HG 1 62 GLN HG3 . . 3.780 2.435 2.278 2.600 . 0 0 "[ . 1 . 2]" 4
529 1 58 LEU QB 1 58 LEU HG . . 2.590 2.327 2.315 2.339 . 0 0 "[ . 1 . 2]" 4
530 1 58 LEU QB 1 58 LEU QD . . 2.690 1.952 1.938 1.971 . 0 0 "[ . 1 . 2]" 4
531 1 58 LEU MD1 1 62 GLN HG2 . . 4.150 3.384 2.971 3.760 . 0 0 "[ . 1 . 2]" 4
532 1 58 LEU MD1 1 62 GLN HG3 . . 4.150 2.922 2.633 3.313 . 0 0 "[ . 1 . 2]" 4
533 1 58 LEU MD2 1 62 GLN HG2 . . 4.150 4.168 4.005 4.207 0.057 5 0 "[ . 1 . 2]" 4
534 1 58 LEU MD2 1 62 GLN HG3 . . 4.150 3.845 3.700 4.007 . 0 0 "[ . 1 . 2]" 4
535 1 58 LEU QD 1 59 TRP H . . 4.750 3.923 3.669 4.113 . 0 0 "[ . 1 . 2]" 4
536 1 58 LEU QD 1 61 GLN H . . 4.820 4.185 3.976 4.432 . 0 0 "[ . 1 . 2]" 4
537 1 58 LEU QD 1 61 GLN QB . . 3.310 2.445 2.122 2.859 . 0 0 "[ . 1 . 2]" 4
538 1 58 LEU QD 1 62 GLN H . . 4.340 3.728 3.494 3.947 . 0 0 "[ . 1 . 2]" 4
539 1 58 LEU QD 1 62 GLN QG . . 3.120 2.660 2.424 2.924 . 0 0 "[ . 1 . 2]" 4
540 1 59 TRP H 1 59 TRP HB2 . . 3.890 3.659 3.629 3.684 . 0 0 "[ . 1 . 2]" 4
541 1 59 TRP H 1 59 TRP HB3 . . 3.890 2.664 2.583 2.725 . 0 0 "[ . 1 . 2]" 4
542 1 59 TRP H 1 59 TRP HD1 . . 3.670 2.283 2.125 2.492 . 0 0 "[ . 1 . 2]" 4
543 1 59 TRP H 1 59 TRP QB . . 3.350 2.603 2.532 2.657 . 0 0 "[ . 1 . 2]" 4
544 1 59 TRP H 1 60 VAL H . . 3.630 2.767 2.668 2.831 . 0 0 "[ . 1 . 2]" 4
545 1 59 TRP HA 1 62 GLN H . . 4.280 3.264 3.123 3.439 . 0 0 "[ . 1 . 2]" 4
546 1 59 TRP HB2 1 59 TRP HD1 . . 3.820 3.826 3.805 3.841 0.021 1 0 "[ . 1 . 2]" 4
547 1 59 TRP HB3 1 59 TRP HD1 . . 3.820 2.724 2.684 2.761 . 0 0 "[ . 1 . 2]" 4
548 1 59 TRP HE3 1 60 VAL H . . 4.480 4.112 3.907 4.379 . 0 0 "[ . 1 . 2]" 4
549 1 59 TRP HE3 1 63 LEU HG . . 4.600 3.029 2.567 3.839 . 0 0 "[ . 1 . 2]" 4
550 1 59 TRP HE3 1 63 LEU MD1 . . 4.540 2.384 2.085 2.607 . 0 0 "[ . 1 . 2]" 4
551 1 59 TRP HZ3 1 63 LEU MD1 . . 3.360 2.574 2.095 2.872 . 0 0 "[ . 1 . 2]" 4
552 1 59 TRP HZ3 1 63 LEU MD2 . . 4.750 4.440 3.926 4.761 0.011 19 0 "[ . 1 . 2]" 4
553 1 59 TRP QB 1 59 TRP HD1 . . 3.320 2.669 2.633 2.702 . 0 0 "[ . 1 . 2]" 4
554 1 59 TRP QB 1 59 TRP HE3 . . 3.610 2.463 2.408 2.510 . 0 0 "[ . 1 . 2]" 4
555 1 60 VAL H 1 60 VAL HB . . 3.250 2.521 2.461 2.586 . 0 0 "[ . 1 . 2]" 4
556 1 60 VAL H 1 60 VAL MG1 . . 3.960 3.792 3.767 3.823 . 0 0 "[ . 1 . 2]" 4
557 1 60 VAL H 1 60 VAL MG2 . . 3.960 2.147 2.049 2.221 . 0 0 "[ . 1 . 2]" 4
558 1 60 VAL H 1 60 VAL QG . . 3.090 2.135 2.040 2.206 . 0 0 "[ . 1 . 2]" 4
559 1 60 VAL H 1 61 GLN H . . 3.610 2.536 2.454 2.657 . 0 0 "[ . 1 . 2]" 4
560 1 60 VAL H 1 62 GLN H . . 4.500 3.969 3.838 4.127 . 0 0 "[ . 1 . 2]" 4
561 1 60 VAL HA 1 60 VAL MG1 . . 3.240 2.438 2.379 2.516 . 0 0 "[ . 1 . 2]" 4
562 1 60 VAL HA 1 60 VAL MG2 . . 3.240 2.388 2.338 2.431 . 0 0 "[ . 1 . 2]" 4
563 1 60 VAL HA 1 63 LEU H . . 4.300 3.198 2.966 3.315 . 0 0 "[ . 1 . 2]" 4
564 1 60 VAL HA 1 63 LEU QB . . 3.700 2.789 1.997 3.034 . 0 0 "[ . 1 . 2]" 4
565 1 60 VAL HA 1 63 LEU MD1 . . 3.970 2.720 1.919 2.923 . 0 0 "[ . 1 . 2]" 4
566 1 60 VAL HA 1 63 LEU MD2 . . 4.010 4.015 3.844 4.174 0.164 18 0 "[ . 1 . 2]" 4
567 1 60 VAL HB 1 61 GLN H . . 3.450 2.612 2.483 2.771 . 0 0 "[ . 1 . 2]" 4
568 1 60 VAL QG 1 61 GLN H . . 4.320 3.212 3.145 3.298 . 0 0 "[ . 1 . 2]" 4
569 1 61 GLN H 1 61 GLN QB . . 3.450 2.403 2.096 2.512 . 0 0 "[ . 1 . 2]" 4
570 1 61 GLN H 1 61 GLN QG . . 3.720 2.390 2.043 3.853 0.133 3 0 "[ . 1 . 2]" 4
571 1 61 GLN H 1 62 GLN H . . 3.620 2.632 2.514 2.764 . 0 0 "[ . 1 . 2]" 4
572 1 61 GLN HA 1 61 GLN QG . . 3.370 2.528 2.352 3.018 . 0 0 "[ . 1 . 2]" 4
573 1 61 GLN HA 1 62 GLN H . . 3.570 3.520 3.472 3.567 . 0 0 "[ . 1 . 2]" 4
574 1 61 GLN HA 1 64 MET QB . . 3.970 3.375 2.460 4.014 0.044 20 0 "[ . 1 . 2]" 4
575 1 61 GLN QB 1 62 GLN H . . 3.400 2.578 2.419 2.759 . 0 0 "[ . 1 . 2]" 4
576 1 62 GLN H 1 62 GLN HB2 . . 3.520 2.473 2.427 2.566 . 0 0 "[ . 1 . 2]" 4
577 1 62 GLN H 1 62 GLN HB3 . . 3.520 3.567 3.555 3.579 0.059 4 0 "[ . 1 . 2]" 4
578 1 62 GLN H 1 62 GLN HG2 . . 3.640 3.414 3.240 3.545 . 0 0 "[ . 1 . 2]" 4
579 1 62 GLN H 1 62 GLN HG3 . . 3.640 2.220 2.096 2.378 . 0 0 "[ . 1 . 2]" 4
580 1 62 GLN H 1 62 GLN QB . . 3.060 2.430 2.389 2.512 . 0 0 "[ . 1 . 2]" 4
581 1 62 GLN H 1 62 GLN QG . . 3.170 2.193 2.074 2.344 . 0 0 "[ . 1 . 2]" 4
582 1 62 GLN H 1 63 LEU H . . 3.670 2.601 2.477 2.720 . 0 0 "[ . 1 . 2]" 4
583 1 62 GLN HA 1 62 GLN HG2 . . 3.490 2.607 2.566 2.664 . 0 0 "[ . 1 . 2]" 4
584 1 62 GLN HA 1 62 GLN HG3 . . 3.490 3.111 3.035 3.221 . 0 0 "[ . 1 . 2]" 4
585 1 62 GLN HA 1 62 GLN QG . . 3.050 2.480 2.439 2.529 . 0 0 "[ . 1 . 2]" 4
586 1 62 GLN HB2 1 63 LEU H . . 4.020 2.714 2.539 2.925 . 0 0 "[ . 1 . 2]" 4
587 1 62 GLN HB3 1 63 LEU H . . 4.020 3.744 3.615 3.900 . 0 0 "[ . 1 . 2]" 4
588 1 62 GLN QB 1 62 GLN QG . . 2.170 2.092 2.084 2.099 . 0 0 "[ . 1 . 2]" 4
589 1 62 GLN QB 1 63 LEU H . . 3.520 2.653 2.494 2.839 . 0 0 "[ . 1 . 2]" 4
590 1 63 LEU H 1 63 LEU HG . . 4.480 2.454 2.312 2.817 . 0 0 "[ . 1 . 2]" 4
591 1 63 LEU H 1 63 LEU QB . . 3.250 2.569 2.195 2.643 . 0 0 "[ . 1 . 2]" 4
592 1 63 LEU H 1 64 MET H . . 3.650 2.702 2.555 2.909 . 0 0 "[ . 1 . 2]" 4
593 1 63 LEU HA 1 63 LEU HG . . 4.230 3.382 2.436 3.491 . 0 0 "[ . 1 . 2]" 4
594 1 63 LEU HA 1 63 LEU MD1 . . 3.630 3.714 3.696 3.728 0.098 4 0 "[ . 1 . 2]" 4
595 1 63 LEU HA 1 63 LEU MD2 . . 2.840 2.120 1.973 2.204 . 0 0 "[ . 1 . 2]" 4
596 1 63 LEU HA 1 66 HIS HB2 . . 3.840 3.775 3.458 3.874 0.034 12 0 "[ . 1 . 2]" 4
597 1 63 LEU HA 1 66 HIS HB3 . . 3.840 2.938 2.674 3.288 . 0 0 "[ . 1 . 2]" 4
598 1 63 LEU HA 1 67 LEU QD . . 4.960 3.654 3.454 3.788 . 0 0 "[ . 1 . 2]" 4
599 1 63 LEU QB 1 63 LEU MD1 . . 3.000 2.047 2.017 2.115 . 0 0 "[ . 1 . 2]" 4
600 1 63 LEU QB 1 64 MET H . . 3.760 2.350 2.202 2.548 . 0 0 "[ . 1 . 2]" 4
601 1 63 LEU QB 1 67 LEU QD . . 3.340 2.307 2.033 2.481 . 0 0 "[ . 1 . 2]" 4
602 1 63 LEU MD1 1 67 LEU QD . . 3.990 3.112 2.716 3.730 . 0 0 "[ . 1 . 2]" 4
603 1 64 MET H 1 64 MET HB2 . . 3.920 3.053 2.277 3.678 . 0 0 "[ . 1 . 2]" 4
604 1 64 MET H 1 64 MET HB3 . . 3.920 3.075 2.254 3.653 . 0 0 "[ . 1 . 2]" 4
605 1 64 MET H 1 64 MET QB . . 3.400 2.505 2.018 2.594 . 0 0 "[ . 1 . 2]" 4
606 1 64 MET H 1 64 MET QG . . 3.430 2.291 2.059 3.675 0.245 2 0 "[ . 1 . 2]" 4
607 1 64 MET H 1 65 GLN H . . 3.880 2.889 2.752 2.999 . 0 0 "[ . 1 . 2]" 4
608 1 64 MET H 1 67 LEU QD . . 3.790 3.824 3.753 3.879 0.089 18 0 "[ . 1 . 2]" 4
609 1 64 MET HA 1 64 MET QG . . 3.450 2.873 2.399 3.504 0.054 9 0 "[ . 1 . 2]" 4
610 1 64 MET HA 1 67 LEU QD . . 4.110 2.763 2.416 3.186 . 0 0 "[ . 1 . 2]" 4
611 1 64 MET HB2 1 65 GLN H . . 4.530 3.211 2.277 4.054 . 0 0 "[ . 1 . 2]" 4
612 1 64 MET HB3 1 65 GLN H . . 4.530 3.713 2.313 4.222 . 0 0 "[ . 1 . 2]" 4
613 1 64 MET QB 1 65 GLN H . . 3.790 2.949 2.239 3.663 . 0 0 "[ . 1 . 2]" 4
614 1 65 GLN H 1 65 GLN HB2 . . 3.580 2.459 2.393 2.529 . 0 0 "[ . 1 . 2]" 4
615 1 65 GLN H 1 65 GLN HB3 . . 3.580 3.590 3.568 3.611 0.031 1 0 "[ . 1 . 2]" 4
616 1 65 GLN H 1 65 GLN HG2 . . 3.570 3.458 3.328 3.570 0.000 6 0 "[ . 1 . 2]" 4
617 1 65 GLN H 1 65 GLN HG3 . . 3.410 2.241 2.105 2.400 . 0 0 "[ . 1 . 2]" 4
618 1 65 GLN H 1 65 GLN QB . . 3.120 2.419 2.358 2.481 . 0 0 "[ . 1 . 2]" 4
619 1 65 GLN H 1 66 HIS H . . 3.670 2.658 2.510 2.792 . 0 0 "[ . 1 . 2]" 4
620 1 65 GLN HA 1 65 GLN HG2 . . 3.760 2.544 2.477 2.623 . 0 0 "[ . 1 . 2]" 4
621 1 65 GLN HA 1 65 GLN HG3 . . 3.350 3.037 2.923 3.159 . 0 0 "[ . 1 . 2]" 4
622 1 65 GLN HA 1 68 ASP H . . 3.730 3.674 3.489 3.795 0.065 10 0 "[ . 1 . 2]" 4
623 1 65 GLN HB2 1 66 HIS H . . 3.770 2.664 2.393 2.885 . 0 0 "[ . 1 . 2]" 4
624 1 65 GLN HB3 1 66 HIS H . . 3.770 3.645 3.452 3.792 0.022 5 0 "[ . 1 . 2]" 4
625 1 65 GLN HG3 1 66 HIS H . . 4.850 4.317 4.178 4.434 . 0 0 "[ . 1 . 2]" 4
626 1 65 GLN QB 1 65 GLN HG3 . . 2.310 2.324 2.306 2.338 0.028 14 0 "[ . 1 . 2]" 4
627 1 66 HIS H 1 66 HIS HB2 . . 3.520 2.586 2.476 2.728 . 0 0 "[ . 1 . 2]" 4
628 1 66 HIS H 1 66 HIS HB3 . . 3.520 2.533 2.437 2.658 . 0 0 "[ . 1 . 2]" 4
629 1 66 HIS H 1 67 LEU H . . 3.550 2.476 2.398 2.639 . 0 0 "[ . 1 . 2]" 4
630 1 66 HIS HB2 1 67 LEU H . . 4.440 3.848 3.721 3.964 . 0 0 "[ . 1 . 2]" 4
631 1 66 HIS HB3 1 67 LEU H . . 4.440 2.628 2.465 2.876 . 0 0 "[ . 1 . 2]" 4
632 1 66 HIS QB 1 67 LEU H . . 3.720 2.585 2.433 2.809 . 0 0 "[ . 1 . 2]" 4
633 1 67 LEU H 1 67 LEU HB2 . . 4.040 2.417 2.369 2.451 . 0 0 "[ . 1 . 2]" 4
634 1 67 LEU H 1 67 LEU HB3 . . 4.040 3.574 3.555 3.614 . 0 0 "[ . 1 . 2]" 4
635 1 67 LEU H 1 67 LEU HG . . 3.630 2.239 2.157 2.404 . 0 0 "[ . 1 . 2]" 4
636 1 67 LEU H 1 67 LEU QB . . 3.380 2.380 2.336 2.413 . 0 0 "[ . 1 . 2]" 4
637 1 67 LEU H 1 67 LEU QD . . 4.150 3.034 2.937 3.164 . 0 0 "[ . 1 . 2]" 4
638 1 67 LEU H 1 68 ASP H . . 3.560 2.413 2.322 2.508 . 0 0 "[ . 1 . 2]" 4
639 1 67 LEU HA 1 67 LEU HG . . 3.130 3.067 2.889 3.144 0.014 6 0 "[ . 1 . 2]" 4
640 1 67 LEU HA 1 67 LEU QB . . 2.620 2.352 2.322 2.377 . 0 0 "[ . 1 . 2]" 4
641 1 67 LEU HA 1 67 LEU MD1 . . 4.520 3.858 3.805 3.904 . 0 0 "[ . 1 . 2]" 4
642 1 67 LEU HA 1 67 LEU MD2 . . 4.520 2.004 1.927 2.121 . 0 0 "[ . 1 . 2]" 4
643 1 67 LEU HA 1 67 LEU QD . . 3.040 1.997 1.922 2.112 . 0 0 "[ . 1 . 2]" 4
644 1 67 LEU HA 1 69 LYS H . . 3.480 3.561 3.508 3.621 0.141 1 0 "[ . 1 . 2]" 4
645 1 67 LEU HG 1 68 ASP H . . 4.200 4.237 4.192 4.299 0.099 13 0 "[ . 1 . 2]" 4
646 1 67 LEU QB 1 67 LEU HG . . 2.470 2.333 2.288 2.376 . 0 0 "[ . 1 . 2]" 4
647 1 67 LEU QB 1 67 LEU QD . . 2.840 1.926 1.901 1.959 . 0 0 "[ . 1 . 2]" 4
648 1 67 LEU QB 1 68 ASP H . . 4.040 2.706 2.585 2.798 . 0 0 "[ . 1 . 2]" 4
649 1 67 LEU MD1 1 68 ASP H . . 4.760 4.597 4.448 4.726 . 0 0 "[ . 1 . 2]" 4
650 1 67 LEU MD2 1 68 ASP H . . 4.760 4.553 4.448 4.633 . 0 0 "[ . 1 . 2]" 4
651 1 67 LEU QD 1 68 ASP H . . 3.970 4.073 4.036 4.126 0.156 14 0 "[ . 1 . 2]" 4
652 1 68 ASP H 1 68 ASP QB . . 3.420 2.333 2.223 2.605 . 0 0 "[ . 1 . 2]" 4
653 1 68 ASP H 1 69 LYS H . . 3.720 2.617 2.475 2.780 . 0 0 "[ . 1 . 2]" 4
654 1 68 ASP HA 1 68 ASP QB . . 2.540 2.367 2.317 2.434 . 0 0 "[ . 1 . 2]" 4
655 1 68 ASP QB 1 69 LYS H . . 3.930 2.946 2.709 3.093 . 0 0 "[ . 1 . 2]" 4
656 1 69 LYS H 1 69 LYS QB . . 3.580 2.440 2.223 3.050 . 0 0 "[ . 1 . 2]" 4
657 1 69 LYS H 1 69 LYS QD . . 4.070 3.681 1.737 4.209 0.139 14 0 "[ . 1 . 2]" 4
658 1 69 LYS H 1 70 THR H . . 4.590 4.327 3.998 4.544 . 0 0 "[ . 1 . 2]" 4
659 1 69 LYS HA 1 69 LYS QE . . 3.900 3.584 2.376 4.170 0.270 16 0 "[ . 1 . 2]" 4
660 1 69 LYS QB 1 69 LYS QD . . 2.400 2.379 2.093 2.548 0.148 6 0 "[ . 1 . 2]" 4
661 1 69 LYS QB 1 69 LYS QE . . 3.170 2.292 1.824 3.304 0.134 16 0 "[ . 1 . 2]" 4
662 1 69 LYS QB 1 69 LYS QG . . 2.400 2.053 1.999 2.091 . 0 0 "[ . 1 . 2]" 4
663 1 69 LYS QB 1 70 THR H . . 3.380 3.226 2.626 3.615 0.235 14 0 "[ . 1 . 2]" 4
664 1 69 LYS QD 1 69 LYS QE . . 2.400 2.059 1.994 2.104 . 0 0 "[ . 1 . 2]" 4
665 1 69 LYS QD 1 69 LYS QG . . 2.400 2.011 1.993 2.068 . 0 0 "[ . 1 . 2]" 4
666 1 69 LYS QE 1 69 LYS QG . . 3.400 2.376 1.903 2.758 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.000 0.000 . 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 9 CYS SG 1 52 CYS SG . . 2.100 2.033 2.013 2.058 . 0 0 "[ . 1 . 2]" 5
stop_
save_
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