NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
391901 |
1pfm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pfm
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 25
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 17.752
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0146
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_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
3 24 SER 0.352 0.097 4 0 "[ . 1 .]"
3 25 LEU 0.025 0.025 12 0 "[ . 1 .]"
3 26 GLU 0.022 0.016 5 0 "[ . 1 .]"
3 27 VAL 0.000 0.000 . 0 "[ . 1 .]"
3 28 ILE 0.784 0.096 5 0 "[ . 1 .]"
3 29 LYS 0.000 0.000 . 0 "[ . 1 .]"
3 58 TYR 0.000 0.000 . 0 "[ . 1 .]"
3 65 LEU 0.000 0.000 . 0 "[ . 1 .]"
3 66 LEU 0.000 0.000 . 0 "[ . 1 .]"
3 68 SER 0.000 0.000 . 0 "[ . 1 .]"
4 24 SER 0.687 0.092 1 0 "[ . 1 .]"
4 25 LEU 0.097 0.096 5 0 "[ . 1 .]"
4 26 GLU 0.022 0.016 5 0 "[ . 1 .]"
4 27 VAL 0.000 0.000 . 0 "[ . 1 .]"
4 28 ILE 0.377 0.097 4 0 "[ . 1 .]"
4 29 LYS 0.000 0.000 . 0 "[ . 1 .]"
4 58 TYR 0.000 0.000 . 0 "[ . 1 .]"
4 65 LEU 0.000 0.000 . 0 "[ . 1 .]"
4 66 LEU 0.000 0.000 . 0 "[ . 1 .]"
4 68 SER 0.000 0.000 . 0 "[ . 1 .]"
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 3 24 SER HA 4 28 ILE HA 1.800 . 2.800 2.775 2.609 2.897 0.097 4 0 "[ . 1 .]" 1
2 3 25 LEU H 4 27 VAL HB 1.800 . 5.500 3.148 2.462 5.294 . 0 0 "[ . 1 .]" 1
3 3 25 LEU H 4 27 VAL QG 1.800 . 6.000 3.450 1.904 4.089 . 0 0 "[ . 1 .]" 1
4 3 25 LEU H 4 28 ILE HA 1.800 . 4.500 4.193 3.782 4.525 0.025 12 0 "[ . 1 .]" 1
5 3 26 GLU HA 4 26 GLU HA 1.800 . 2.800 2.597 2.019 2.816 0.016 5 0 "[ . 1 .]" 1
6 3 27 VAL H 4 25 LEU H 1.800 . 4.500 2.939 2.516 3.516 . 0 0 "[ . 1 .]" 1
7 3 27 VAL H 4 25 LEU QB 1.800 . 7.000 5.143 4.610 5.594 . 0 0 "[ . 1 .]" 1
8 3 27 VAL H 4 25 LEU HG 1.800 . 7.000 4.489 3.922 5.961 . 0 0 "[ . 1 .]" 1
9 3 29 LYS H 4 24 SER HA 1.800 . 4.500 3.944 3.483 4.265 . 0 0 "[ . 1 .]" 1
10 3 58 TYR QE 4 66 LEU MD1 1.800 . 5.000 4.171 3.333 4.469 . 0 0 "[ . 1 .]" 1
11 3 58 TYR QE 4 66 LEU MD2 1.800 . 5.000 3.507 3.141 3.825 . 0 0 "[ . 1 .]" 1
12 3 65 LEU QD 4 29 LYS QE 1.800 . 8.000 2.969 2.082 3.721 . 0 0 "[ . 1 .]" 1
13 3 68 SER QB 4 29 LYS QE 1.800 . 5.500 3.382 1.866 4.895 . 0 0 "[ . 1 .]" 1
14 3 28 ILE HA 4 24 SER HA 1.800 . 2.800 2.805 2.535 2.892 0.092 1 0 "[ . 1 .]" 1
15 3 27 VAL HB 4 25 LEU H 1.800 . 5.500 3.253 2.389 4.518 . 0 0 "[ . 1 .]" 1
16 3 27 VAL QG 4 25 LEU H 1.800 . 6.000 3.670 1.898 4.349 . 0 0 "[ . 1 .]" 1
17 3 28 ILE HA 4 25 LEU H 1.800 . 4.500 4.213 3.849 4.596 0.096 5 0 "[ . 1 .]" 1
18 3 25 LEU H 4 27 VAL H 1.800 . 4.500 2.859 2.456 3.239 . 0 0 "[ . 1 .]" 1
19 3 25 LEU QB 4 27 VAL H 1.800 . 7.000 5.009 4.601 5.413 . 0 0 "[ . 1 .]" 1
20 3 25 LEU HG 4 27 VAL H 1.800 . 7.000 4.589 3.744 5.902 . 0 0 "[ . 1 .]" 1
21 3 24 SER HA 4 29 LYS H 1.800 . 4.500 3.908 3.374 4.255 . 0 0 "[ . 1 .]" 1
22 3 66 LEU MD1 4 58 TYR QE 1.800 . 5.000 4.286 3.668 4.529 . 0 0 "[ . 1 .]" 1
23 3 66 LEU MD2 4 58 TYR QE 1.800 . 5.000 3.487 3.007 3.995 . 0 0 "[ . 1 .]" 1
24 3 29 LYS QE 4 65 LEU QD 1.800 . 8.000 3.288 1.909 4.161 . 0 0 "[ . 1 .]" 1
25 3 29 LYS QE 4 68 SER QB 1.800 . 5.500 2.901 1.842 4.386 . 0 0 "[ . 1 .]" 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 25
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 21.772
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_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 24 SER 0.670 0.126 2 0 "[ . 1 .]"
1 25 LEU 0.115 0.095 12 0 "[ . 1 .]"
1 26 GLU 0.125 0.039 9 0 "[ . 1 .]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 28 ILE 0.522 0.155 9 0 "[ . 1 .]"
1 29 LYS 0.020 0.020 3 0 "[ . 1 .]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 68 SER 0.000 0.000 . 0 "[ . 1 .]"
2 24 SER 0.451 0.155 9 0 "[ . 1 .]"
2 25 LEU 0.071 0.071 12 0 "[ . 1 .]"
2 26 GLU 0.125 0.039 9 0 "[ . 1 .]"
2 27 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 28 ILE 0.785 0.126 2 0 "[ . 1 .]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 58 TYR 0.000 0.000 . 0 "[ . 1 .]"
2 65 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 66 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 68 SER 0.020 0.020 3 0 "[ . 1 .]"
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 24 SER HA 2 28 ILE HA 1.800 . 2.800 2.789 2.546 2.926 0.126 2 0 "[ . 1 .]" 2
2 1 25 LEU H 2 27 VAL HB 1.800 . 5.500 3.015 2.601 4.085 . 0 0 "[ . 1 .]" 2
3 1 25 LEU H 2 27 VAL QG 1.800 . 6.000 3.704 3.455 4.330 . 0 0 "[ . 1 .]" 2
4 1 25 LEU H 2 28 ILE HA 1.800 . 4.500 4.267 3.720 4.595 0.095 12 0 "[ . 1 .]" 2
5 1 26 GLU HA 2 26 GLU HA 1.800 . 2.800 2.622 2.152 2.839 0.039 9 0 "[ . 1 .]" 2
6 1 27 VAL H 2 25 LEU H 1.800 . 4.500 2.837 2.468 3.284 . 0 0 "[ . 1 .]" 2
7 1 27 VAL H 2 25 LEU QB 1.800 . 7.000 5.042 4.701 5.268 . 0 0 "[ . 1 .]" 2
8 1 27 VAL H 2 25 LEU HG 1.800 . 7.000 4.655 3.836 5.960 . 0 0 "[ . 1 .]" 2
9 1 29 LYS H 2 24 SER HA 1.800 . 4.500 4.003 3.400 4.319 . 0 0 "[ . 1 .]" 2
10 1 58 TYR QE 2 66 LEU MD1 1.800 . 5.000 4.333 4.082 4.462 . 0 0 "[ . 1 .]" 2
11 1 58 TYR QE 2 66 LEU MD2 1.800 . 5.000 3.577 3.102 3.874 . 0 0 "[ . 1 .]" 2
12 1 65 LEU QD 2 29 LYS QE 1.800 . 8.000 3.218 2.445 4.177 . 0 0 "[ . 1 .]" 2
13 1 68 SER QB 2 29 LYS QE 1.800 . 5.500 2.934 2.313 3.774 . 0 0 "[ . 1 .]" 2
14 1 28 ILE HA 2 24 SER HA 1.800 . 2.800 2.767 2.349 2.955 0.155 9 0 "[ . 1 .]" 2
15 1 27 VAL HB 2 25 LEU H 1.800 . 5.500 3.258 2.393 5.040 . 0 0 "[ . 1 .]" 2
16 1 27 VAL QG 2 25 LEU H 1.800 . 6.000 3.690 2.423 4.264 . 0 0 "[ . 1 .]" 2
17 1 28 ILE HA 2 25 LEU H 1.800 . 4.500 4.253 3.584 4.571 0.071 12 0 "[ . 1 .]" 2
18 1 25 LEU H 2 27 VAL H 1.800 . 4.500 2.791 2.265 3.238 . 0 0 "[ . 1 .]" 2
19 1 25 LEU QB 2 27 VAL H 1.800 . 7.000 4.957 4.640 5.208 . 0 0 "[ . 1 .]" 2
20 1 25 LEU HG 2 27 VAL H 1.800 . 7.000 4.743 3.618 6.090 . 0 0 "[ . 1 .]" 2
21 1 24 SER HA 2 29 LYS H 1.800 . 4.500 4.001 3.574 4.335 . 0 0 "[ . 1 .]" 2
22 1 66 LEU MD1 2 58 TYR QE 1.800 . 5.000 4.299 4.044 4.467 . 0 0 "[ . 1 .]" 2
23 1 66 LEU MD2 2 58 TYR QE 1.800 . 5.000 3.617 3.131 4.011 . 0 0 "[ . 1 .]" 2
24 1 29 LYS QE 2 65 LEU QD 1.800 . 8.000 3.215 1.864 4.015 . 0 0 "[ . 1 .]" 2
25 1 29 LYS QE 2 68 SER QB 1.800 . 5.500 2.924 1.780 4.179 0.020 3 0 "[ . 1 .]" 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 547
_Distance_constraint_stats_list.Viol_count 729
_Distance_constraint_stats_list.Viol_total 995.227
_Distance_constraint_stats_list.Viol_max 0.592
_Distance_constraint_stats_list.Viol_rms 0.0371
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0910
_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 4 LYS 0.485 0.092 14 0 "[ . 1 .]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 6 LEU 0.886 0.081 6 0 "[ . 1 .]"
1 7 ARG 0.814 0.233 1 0 "[ . 1 .]"
1 8 CYS 1.330 0.233 1 0 "[ . 1 .]"
1 9 GLN 0.241 0.064 1 0 "[ . 1 .]"
1 10 CYS 1.189 0.198 9 0 "[ . 1 .]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 12 LYS 0.791 0.215 11 0 "[ . 1 .]"
1 13 THR 5.375 0.258 3 0 "[ . 1 .]"
1 14 THR 6.606 0.299 3 0 "[ . 1 .]"
1 15 SER 0.158 0.048 4 0 "[ . 1 .]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 17 VAL 0.297 0.111 9 0 "[ . 1 .]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 21 HIS 4.222 0.284 2 0 "[ . 1 .]"
1 22 ILE 0.120 0.040 9 0 "[ . 1 .]"
1 23 THR 1.871 0.224 15 0 "[ . 1 .]"
1 24 SER 4.004 0.305 15 0 "[ . 1 .]"
1 25 LEU 1.472 0.141 7 0 "[ . 1 .]"
1 26 GLU 1.794 0.245 2 0 "[ . 1 .]"
1 27 VAL 0.351 0.105 4 0 "[ . 1 .]"
1 28 ILE 1.624 0.150 15 0 "[ . 1 .]"
1 29 LYS 0.499 0.082 10 0 "[ . 1 .]"
1 30 ALA 1.011 0.098 5 0 "[ . 1 .]"
1 31 GLY 0.199 0.075 7 0 "[ . 1 .]"
1 32 PRO 0.485 0.092 14 0 "[ . 1 .]"
1 33 HIS 0.746 0.230 9 0 "[ . 1 .]"
1 34 CYS 0.589 0.230 9 0 "[ . 1 .]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 36 THR 1.208 0.098 5 0 "[ . 1 .]"
1 37 ALA 0.499 0.082 10 0 "[ . 1 .]"
1 38 GLN 1.560 0.150 15 0 "[ . 1 .]"
1 39 LEU 2.983 0.189 8 0 "[ . 1 .]"
1 40 ILE 2.040 0.245 2 0 "[ . 1 .]"
1 41 ALA 0.704 0.125 3 0 "[ . 1 .]"
1 42 THR 6.509 0.305 15 0 "[ . 1 .]"
1 43 LEU 12.853 0.592 2 3 "[ + -. 1* .]"
1 44 LYS 0.351 0.053 2 0 "[ . 1 .]"
1 45 ASN 0.324 0.053 2 0 "[ . 1 .]"
1 46 GLY 7.226 0.592 2 3 "[ + -. 1* .]"
1 47 ARG 1.889 0.124 2 0 "[ . 1 .]"
1 48 LYS 2.286 0.202 7 0 "[ . 1 .]"
1 49 ILE 5.593 0.225 14 0 "[ . 1 .]"
1 50 CYS 10.273 0.368 8 0 "[ . 1 .]"
1 51 LEU 6.299 0.368 8 0 "[ . 1 .]"
1 52 ASP 2.282 0.201 3 0 "[ . 1 .]"
1 53 LEU 0.392 0.170 5 0 "[ . 1 .]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 56 PRO 0.500 0.201 3 0 "[ . 1 .]"
1 57 LEU 0.569 0.055 15 0 "[ . 1 .]"
1 58 TYR 2.477 0.175 3 0 "[ . 1 .]"
1 59 LYS 3.745 0.200 12 0 "[ . 1 .]"
1 60 LYS 1.245 0.142 2 0 "[ . 1 .]"
1 61 ILE 1.267 0.165 1 0 "[ . 1 .]"
1 62 ILE 4.559 0.263 15 0 "[ . 1 .]"
1 63 LYS 1.275 0.142 2 0 "[ . 1 .]"
1 64 LYS 0.080 0.059 2 0 "[ . 1 .]"
1 65 LEU 1.134 0.263 15 0 "[ . 1 .]"
1 66 LEU 0.025 0.025 12 0 "[ . 1 .]"
1 67 GLU 0.340 0.059 2 0 "[ . 1 .]"
1 68 SER 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS H 1 32 PRO O 1.800 . 5.800 5.785 5.466 5.892 0.092 14 0 "[ . 1 .]" 3
2 1 4 LYS HA 1 5 GLU H 1.800 . 3.600 2.945 2.192 3.575 . 0 0 "[ . 1 .]" 3
3 1 6 LEU H 1 6 LEU QB 1.800 . 3.600 2.621 2.065 3.106 . 0 0 "[ . 1 .]" 3
4 1 6 LEU H 1 6 LEU QD 1.800 . 8.000 3.357 2.276 4.084 . 0 0 "[ . 1 .]" 3
5 1 6 LEU QD 1 32 PRO HB3 1.800 . 4.800 4.338 4.304 4.402 . 0 0 "[ . 1 .]" 3
6 1 6 LEU QD 1 32 PRO HB2 1.800 . 4.000 3.232 3.061 3.340 . 0 0 "[ . 1 .]" 3
7 1 6 LEU QD 1 33 HIS HB3 1.800 . 4.000 3.035 2.398 3.576 . 0 0 "[ . 1 .]" 3
8 1 6 LEU QD 1 33 HIS HB2 1.800 . 4.000 3.183 2.323 3.772 . 0 0 "[ . 1 .]" 3
9 1 6 LEU QD 1 35 PRO QG 1.800 . 5.000 2.965 2.113 4.494 . 0 0 "[ . 1 .]" 3
10 1 6 LEU QB 1 35 PRO QD 1.800 . 5.300 3.082 2.432 4.744 . 0 0 "[ . 1 .]" 3
11 1 7 ARG H 1 8 CYS H 1.800 . 3.500 2.835 1.947 3.733 0.233 1 0 "[ . 1 .]" 3
12 1 6 LEU HA 1 7 ARG H 1.800 . 3.500 3.167 2.298 3.581 0.081 6 0 "[ . 1 .]" 3
13 1 7 ARG H 1 7 ARG QB 1.800 . 3.500 2.868 2.578 3.061 . 0 0 "[ . 1 .]" 3
14 1 7 ARG H 1 7 ARG QD 1.800 . 8.000 4.888 3.428 5.499 . 0 0 "[ . 1 .]" 3
15 1 6 LEU QD 1 7 ARG H 1.800 . 3.500 2.937 1.902 3.260 . 0 0 "[ . 1 .]" 3
16 1 7 ARG H 1 33 HIS O 1.800 . 2.500 2.216 2.109 2.357 . 0 0 "[ . 1 .]" 3
17 1 7 ARG QB 1 33 HIS HE1 1.800 . 6.000 5.406 5.366 5.447 . 0 0 "[ . 1 .]" 3
18 1 8 CYS H 1 8 CYS HB3 1.800 . 3.500 3.036 2.540 3.579 0.079 5 0 "[ . 1 .]" 3
19 1 8 CYS HB3 1 9 GLN QB 1.800 . 8.000 5.149 4.478 5.750 . 0 0 "[ . 1 .]" 3
20 1 8 CYS HB3 1 34 CYS HB2 1.800 . 5.000 4.422 4.046 4.984 . 0 0 "[ . 1 .]" 3
21 1 8 CYS HB2 1 36 THR MG 1.800 . 4.000 3.610 3.343 3.767 . 0 0 "[ . 1 .]" 3
22 1 8 CYS HB3 1 9 GLN H 1.800 . 6.000 3.596 2.895 4.106 . 0 0 "[ . 1 .]" 3
23 1 8 CYS HB2 1 9 GLN H 1.800 . 4.500 4.232 3.979 4.545 0.045 2 0 "[ . 1 .]" 3
24 1 9 GLN H 1 10 CYS HB3 1.800 . 8.000 5.242 4.431 5.841 . 0 0 "[ . 1 .]" 3
25 1 9 GLN H 1 10 CYS HB2 1.800 . 8.000 5.006 4.425 5.701 . 0 0 "[ . 1 .]" 3
26 1 9 GLN H 1 9 GLN QB 1.800 . 3.500 2.339 2.160 2.650 . 0 0 "[ . 1 .]" 3
27 1 9 GLN H 1 9 GLN QG 1.800 . 4.500 3.580 1.903 4.036 . 0 0 "[ . 1 .]" 3
28 1 10 CYS HA 1 50 CYS HB3 1.800 . 8.000 4.972 4.162 5.426 . 0 0 "[ . 1 .]" 3
29 1 9 GLN HA 1 10 CYS H 1.800 . 3.500 3.495 3.430 3.564 0.064 1 0 "[ . 1 .]" 3
30 1 9 GLN H 1 10 CYS H 1.800 . 3.500 2.517 2.274 2.751 . 0 0 "[ . 1 .]" 3
31 1 8 CYS HB3 1 10 CYS H 1.800 . 3.500 3.208 2.467 3.614 0.114 4 0 "[ . 1 .]" 3
32 1 8 CYS HB2 1 10 CYS H 1.800 . 4.700 4.475 3.835 4.883 0.183 6 0 "[ . 1 .]" 3
33 1 10 CYS H 1 10 CYS HB3 1.800 . 3.500 2.930 2.299 3.491 . 0 0 "[ . 1 .]" 3
34 1 10 CYS H 1 10 CYS HB2 1.800 . 4.100 2.932 2.643 3.412 . 0 0 "[ . 1 .]" 3
35 1 9 GLN QB 1 10 CYS H 1.800 . 3.500 2.895 2.359 3.304 . 0 0 "[ . 1 .]" 3
36 1 9 GLN QG 1 10 CYS H 1.800 . 4.500 3.787 1.851 4.061 . 0 0 "[ . 1 .]" 3
37 1 10 CYS HA 1 11 VAL H 1.800 . 6.000 2.383 2.199 2.762 . 0 0 "[ . 1 .]" 3
38 1 12 LYS H 1 13 THR H 1.800 . 4.500 4.490 4.253 4.715 0.215 11 0 "[ . 1 .]" 3
39 1 13 THR H 1 14 THR H 1.800 . 4.500 4.430 4.258 4.562 0.062 7 0 "[ . 1 .]" 3
40 1 13 THR HA 1 13 THR MG 1.800 . 2.800 2.132 2.052 2.165 . 0 0 "[ . 1 .]" 3
41 1 13 THR HA 1 52 ASP HB3 1.800 . 7.000 4.800 4.217 6.279 . 0 0 "[ . 1 .]" 3
42 1 13 THR HA 1 52 ASP HB2 1.800 . 7.000 5.829 4.678 6.414 . 0 0 "[ . 1 .]" 3
43 1 13 THR HB 1 52 ASP HB3 1.800 . 5.500 4.220 3.817 5.563 0.063 5 0 "[ . 1 .]" 3
44 1 13 THR HB 1 52 ASP HB2 1.800 . 5.500 5.221 3.836 5.617 0.117 2 0 "[ . 1 .]" 3
45 1 13 THR HA 1 14 THR H 1.800 . 3.500 2.183 2.155 2.223 . 0 0 "[ . 1 .]" 3
46 1 14 THR H 1 51 LEU MD1 1.800 . 7.500 5.893 5.796 6.046 . 0 0 "[ . 1 .]" 3
47 1 14 THR H 1 51 LEU MD2 1.800 . 7.500 3.435 3.335 3.540 . 0 0 "[ . 1 .]" 3
48 1 14 THR H 1 51 LEU HA 1.800 . 5.000 3.122 2.990 3.301 . 0 0 "[ . 1 .]" 3
49 1 14 THR H 1 14 THR HB 1.800 . 3.500 2.785 2.519 3.698 0.198 3 0 "[ . 1 .]" 3
50 1 14 THR H 1 14 THR MG 1.800 . 4.300 3.686 2.162 3.822 . 0 0 "[ . 1 .]" 3
51 1 13 THR HB 1 14 THR H 1.800 . 3.500 3.715 3.643 3.758 0.258 3 0 "[ . 1 .]" 3
52 1 14 THR MG 1 49 ILE MG 1.800 . 6.000 2.534 2.004 3.981 . 0 0 "[ . 1 .]" 3
53 1 14 THR MG 1 49 ILE MD 1.800 . 5.000 4.198 3.889 4.526 . 0 0 "[ . 1 .]" 3
54 1 14 THR HA 1 14 THR MG 1.800 . 3.500 2.183 1.941 2.591 . 0 0 "[ . 1 .]" 3
55 1 14 THR HB 1 51 LEU MD2 1.800 . 5.000 3.297 2.971 4.484 . 0 0 "[ . 1 .]" 3
56 1 14 THR H 1 50 CYS O 1.800 . 2.200 2.230 2.168 2.305 0.105 3 0 "[ . 1 .]" 3
57 1 14 THR H 1 50 CYS HB3 1.800 . 5.000 4.749 4.579 4.961 . 0 0 "[ . 1 .]" 3
58 1 14 THR H 1 50 CYS HB2 1.800 . 5.000 4.874 4.664 5.025 0.025 11 0 "[ . 1 .]" 3
59 1 14 THR O 1 50 CYS H 1.800 . 3.400 3.565 3.519 3.699 0.299 3 0 "[ . 1 .]" 3
60 1 14 THR HA 1 15 SER H 1.800 . 6.000 2.622 2.565 2.687 . 0 0 "[ . 1 .]" 3
61 1 13 THR HB 1 15 SER H 1.800 . 4.500 2.948 2.821 3.022 . 0 0 "[ . 1 .]" 3
62 1 13 THR MG 1 15 SER H 1.800 . 4.000 3.595 3.570 3.628 . 0 0 "[ . 1 .]" 3
63 1 14 THR H 1 15 SER H 1.800 . 4.500 3.453 3.368 3.505 . 0 0 "[ . 1 .]" 3
64 1 15 SER H 1 15 SER HB2 1.800 . 3.500 2.840 2.300 3.548 0.048 4 0 "[ . 1 .]" 3
65 1 15 SER HA 1 16 GLN H 1.800 . 4.000 3.373 3.329 3.434 . 0 0 "[ . 1 .]" 3
66 1 15 SER H 1 16 GLN H 1.800 . 4.500 2.633 2.517 2.676 . 0 0 "[ . 1 .]" 3
67 1 15 SER HB3 1 17 VAL H 1.800 . 6.000 5.111 4.836 5.445 . 0 0 "[ . 1 .]" 3
68 1 15 SER HB2 1 17 VAL H 1.800 . 8.000 5.082 4.827 5.450 . 0 0 "[ . 1 .]" 3
69 1 17 VAL H 1 17 VAL HB 1.800 . 2.800 2.527 2.302 2.637 . 0 0 "[ . 1 .]" 3
70 1 17 VAL H 1 17 VAL MG1 1.800 . 6.000 3.598 2.132 3.806 . 0 0 "[ . 1 .]" 3
71 1 17 VAL H 1 17 VAL MG2 1.800 . 6.000 2.501 1.905 3.757 . 0 0 "[ . 1 .]" 3
72 1 17 VAL HB 1 51 LEU HG 1.800 . 5.000 4.941 4.263 5.111 0.111 9 0 "[ . 1 .]" 3
73 1 17 VAL HB 1 51 LEU MD2 1.800 . 4.000 3.456 2.645 3.628 . 0 0 "[ . 1 .]" 3
74 1 17 VAL HA 1 18 ARG H 1.800 . 4.500 2.301 2.207 2.390 . 0 0 "[ . 1 .]" 3
75 1 18 ARG H 1 18 ARG QB 1.800 . 3.500 2.458 2.181 2.922 . 0 0 "[ . 1 .]" 3
76 1 18 ARG H 1 18 ARG QG 1.800 . 4.500 2.968 1.939 4.024 . 0 0 "[ . 1 .]" 3
77 1 19 PRO QG 1 61 ILE MD 1.800 . 6.000 3.777 3.042 4.556 . 0 0 "[ . 1 .]" 3
78 1 20 ARG QG 1 64 LYS QD 1.800 . 4.500 3.953 3.758 4.043 . 0 0 "[ . 1 .]" 3
79 1 21 HIS H 1 44 LYS HA 1.800 . 8.000 7.490 6.932 7.851 . 0 0 "[ . 1 .]" 3
80 1 21 HIS H 1 21 HIS HB3 1.800 . 3.500 3.565 2.982 3.727 0.227 13 0 "[ . 1 .]" 3
81 1 21 HIS HA 1 21 HIS HD2 1.800 . 4.200 4.287 3.911 4.484 0.284 2 0 "[ . 1 .]" 3
82 1 21 HIS HD2 1 22 ILE MD 1.800 . 8.000 5.430 2.989 7.143 . 0 0 "[ . 1 .]" 3
83 1 21 HIS HD2 1 44 LYS QG 1.800 . 6.000 5.035 3.758 5.472 . 0 0 "[ . 1 .]" 3
84 1 20 ARG QB 1 21 HIS HD2 1.800 . 6.000 2.877 2.319 4.020 . 0 0 "[ . 1 .]" 3
85 1 20 ARG QG 1 21 HIS HD2 1.800 . 6.000 4.815 4.270 5.350 . 0 0 "[ . 1 .]" 3
86 1 20 ARG QD 1 21 HIS HD2 1.800 . 6.000 4.515 3.841 5.330 . 0 0 "[ . 1 .]" 3
87 1 21 HIS HB3 1 43 LEU QD 1.800 . 5.000 4.143 3.493 4.510 . 0 0 "[ . 1 .]" 3
88 1 21 HIS HB2 1 43 LEU QD 1.800 . 5.000 2.865 2.109 3.960 . 0 0 "[ . 1 .]" 3
89 1 21 HIS HD2 1 43 LEU QD 1.800 . 3.500 3.000 1.822 3.162 . 0 0 "[ . 1 .]" 3
90 1 21 HIS HA 1 22 ILE H 1.800 . 4.500 2.922 2.409 3.188 . 0 0 "[ . 1 .]" 3
91 1 22 ILE H 1 22 ILE HB 1.800 . 3.500 2.173 1.948 2.367 . 0 0 "[ . 1 .]" 3
92 1 22 ILE H 1 22 ILE MG 1.800 . 3.500 2.792 2.579 3.211 . 0 0 "[ . 1 .]" 3
93 1 22 ILE H 1 22 ILE QG 1.800 . 4.500 3.954 3.278 4.108 . 0 0 "[ . 1 .]" 3
94 1 22 ILE H 1 22 ILE MD 1.800 . 4.900 3.533 3.231 4.181 . 0 0 "[ . 1 .]" 3
95 1 21 HIS HB3 1 22 ILE H 1.800 . 4.600 4.600 4.570 4.640 0.040 9 0 "[ . 1 .]" 3
96 1 21 HIS HB2 1 22 ILE H 1.800 . 4.400 4.113 3.983 4.371 . 0 0 "[ . 1 .]" 3
97 1 21 HIS H 1 22 ILE H 1.800 . 3.500 2.875 2.629 3.434 . 0 0 "[ . 1 .]" 3
98 1 22 ILE HA 1 44 LYS H 1.800 . 6.000 3.399 3.235 3.595 . 0 0 "[ . 1 .]" 3
99 1 22 ILE MD 1 51 LEU MD1 1.800 . 5.000 3.947 3.323 4.270 . 0 0 "[ . 1 .]" 3
100 1 22 ILE MD 1 25 LEU QD 1.800 . 7.000 4.085 2.549 4.614 . 0 0 "[ . 1 .]" 3
101 1 22 ILE MD 1 23 THR H 1.800 . 3.900 3.056 1.899 3.362 . 0 0 "[ . 1 .]" 3
102 1 22 ILE HA 1 23 THR H 1.800 . 2.800 2.495 2.346 2.575 . 0 0 "[ . 1 .]" 3
103 1 22 ILE MG 1 23 THR H 1.800 . 2.800 2.539 2.381 2.592 . 0 0 "[ . 1 .]" 3
104 1 23 THR HB 1 42 THR MG 1.800 . 6.000 5.169 4.944 5.357 . 0 0 "[ . 1 .]" 3
105 1 23 THR H 1 23 THR MG 1.800 . 2.800 2.267 2.015 2.591 . 0 0 "[ . 1 .]" 3
106 1 23 THR H 1 43 LEU HA 1.800 . 2.800 2.917 2.825 3.024 0.224 15 0 "[ . 1 .]" 3
107 1 23 THR H 1 24 SER H 1.800 . 2.800 1.990 1.939 2.085 . 0 0 "[ . 1 .]" 3
108 1 23 THR H 1 44 LYS H 1.800 . 8.000 4.713 4.573 4.934 . 0 0 "[ . 1 .]" 3
109 1 23 THR H 1 24 SER HA 1.800 . 8.000 4.329 4.177 4.418 . 0 0 "[ . 1 .]" 3
110 1 24 SER H 1 42 THR HB 1.800 . 3.500 2.593 2.466 2.679 . 0 0 "[ . 1 .]" 3
111 1 24 SER H 1 24 SER QB 1.800 . 3.500 3.060 2.845 3.241 . 0 0 "[ . 1 .]" 3
112 1 24 SER H 1 42 THR MG 1.800 . 6.000 4.230 4.127 4.313 . 0 0 "[ . 1 .]" 3
113 1 23 THR HB 1 24 SER H 1.800 . 4.500 3.782 3.646 3.876 . 0 0 "[ . 1 .]" 3
114 1 24 SER O 1 42 THR H 1.600 . 2.200 2.120 2.102 2.144 . 0 0 "[ . 1 .]" 3
115 1 24 SER HA 1 24 SER QB 1.800 . 2.800 2.301 2.179 2.505 . 0 0 "[ . 1 .]" 3
116 1 24 SER HA 1 25 LEU QB 1.800 . 6.000 3.791 3.746 3.839 . 0 0 "[ . 1 .]" 3
117 1 24 SER HA 1 25 LEU H 1.800 . 2.800 2.377 2.330 2.452 . 0 0 "[ . 1 .]" 3
118 1 24 SER QB 1 25 LEU H 1.800 . 3.200 2.604 2.559 2.650 . 0 0 "[ . 1 .]" 3
119 1 25 LEU H 1 25 LEU QB 1.800 . 2.800 2.741 2.605 2.856 0.056 13 0 "[ . 1 .]" 3
120 1 25 LEU H 1 25 LEU HG 1.800 . 4.400 3.383 2.591 4.433 0.033 12 0 "[ . 1 .]" 3
121 1 25 LEU H 1 25 LEU QD 1.800 . 4.500 3.328 3.070 3.520 . 0 0 "[ . 1 .]" 3
122 1 25 LEU HA 1 26 GLU QB 1.800 . 5.000 4.562 4.514 4.585 . 0 0 "[ . 1 .]" 3
123 1 25 LEU HA 1 26 GLU QG 1.800 . 3.500 3.229 3.181 3.360 . 0 0 "[ . 1 .]" 3
124 1 25 LEU HA 1 41 ALA MB 1.800 . 3.500 3.232 3.190 3.270 . 0 0 "[ . 1 .]" 3
125 1 25 LEU HA 1 25 LEU QB 1.800 . 2.800 2.165 2.152 2.192 . 0 0 "[ . 1 .]" 3
126 1 25 LEU HA 1 25 LEU HG 1.800 . 3.500 3.345 2.863 3.641 0.141 7 0 "[ . 1 .]" 3
127 1 25 LEU HA 1 25 LEU QD 1.800 . 3.500 3.192 2.996 3.265 . 0 0 "[ . 1 .]" 3
128 1 25 LEU HG 1 58 TYR QD 1.800 . 8.000 6.214 5.879 6.598 . 0 0 "[ . 1 .]" 3
129 1 25 LEU HA 1 26 GLU H 1.800 . 2.800 2.175 2.133 2.225 . 0 0 "[ . 1 .]" 3
130 1 26 GLU H 1 41 ALA HA 1.800 . 3.500 2.518 2.362 2.715 . 0 0 "[ . 1 .]" 3
131 1 25 LEU H 1 26 GLU H 1.800 . 8.000 4.337 4.277 4.392 . 0 0 "[ . 1 .]" 3
132 1 26 GLU H 1 42 THR H 1.800 . 6.000 4.687 4.544 4.850 . 0 0 "[ . 1 .]" 3
133 1 26 GLU H 1 26 GLU QB 1.800 . 3.500 2.700 2.607 2.969 . 0 0 "[ . 1 .]" 3
134 1 26 GLU H 1 26 GLU QG 1.800 . 3.500 1.923 1.784 1.991 0.016 13 0 "[ . 1 .]" 3
135 1 25 LEU QB 1 26 GLU H 1.800 . 3.500 3.184 2.946 3.371 . 0 0 "[ . 1 .]" 3
136 1 25 LEU HG 1 26 GLU H 1.800 . 6.000 3.419 2.096 4.275 . 0 0 "[ . 1 .]" 3
137 1 26 GLU H 1 40 ILE MG 1.800 . 4.000 3.679 3.615 3.760 . 0 0 "[ . 1 .]" 3
138 1 26 GLU H 1 40 ILE HB 1.800 . 4.500 3.458 3.308 3.668 . 0 0 "[ . 1 .]" 3
139 1 26 GLU HA 1 26 GLU QB 1.800 . 2.800 2.263 2.178 2.290 . 0 0 "[ . 1 .]" 3
140 1 26 GLU HA 1 26 GLU QG 1.800 . 3.500 2.673 2.471 3.241 . 0 0 "[ . 1 .]" 3
141 1 26 GLU O 1 40 ILE H 1.800 . 2.500 2.367 2.184 2.630 0.130 11 0 "[ . 1 .]" 3
142 1 25 LEU QD 1 26 GLU HA 1.800 . 3.500 3.215 3.136 3.337 . 0 0 "[ . 1 .]" 3
143 1 25 LEU HG 1 26 GLU HA 1.800 . 4.500 4.233 3.887 4.531 0.031 4 0 "[ . 1 .]" 3
144 1 26 GLU HA 1 27 VAL H 1.800 . 2.800 2.342 2.250 2.411 . 0 0 "[ . 1 .]" 3
145 1 27 VAL H 1 27 VAL HB 1.800 . 3.200 2.885 2.740 3.149 . 0 0 "[ . 1 .]" 3
146 1 27 VAL H 1 27 VAL QG 1.800 . 3.500 2.825 2.353 3.128 . 0 0 "[ . 1 .]" 3
147 1 26 GLU QB 1 27 VAL H 1.800 . 3.500 2.598 2.478 2.748 . 0 0 "[ . 1 .]" 3
148 1 26 GLU QG 1 27 VAL H 1.800 . 4.500 4.142 4.019 4.194 . 0 0 "[ . 1 .]" 3
149 1 27 VAL HA 1 28 ILE H 1.800 . 2.800 2.237 2.141 2.298 . 0 0 "[ . 1 .]" 3
150 1 27 VAL QG 1 28 ILE H 1.800 . 3.500 3.118 2.957 3.191 . 0 0 "[ . 1 .]" 3
151 1 28 ILE H 1 39 LEU HA 1.800 . 3.500 2.366 2.078 2.789 . 0 0 "[ . 1 .]" 3
152 1 28 ILE H 1 38 GLN H 1.800 . 4.500 4.443 4.357 4.562 0.062 5 0 "[ . 1 .]" 3
153 1 28 ILE H 1 38 GLN QG 1.800 . 6.000 5.076 3.830 5.427 . 0 0 "[ . 1 .]" 3
154 1 28 ILE H 1 28 ILE HB 1.800 . 3.600 2.899 2.474 3.664 0.064 10 0 "[ . 1 .]" 3
155 1 28 ILE H 1 28 ILE QG 1.800 . 4.500 2.940 1.923 4.049 . 0 0 "[ . 1 .]" 3
156 1 28 ILE H 1 28 ILE MG 1.800 . 4.500 3.351 1.883 3.900 . 0 0 "[ . 1 .]" 3
157 1 28 ILE H 1 28 ILE MD 1.800 . 3.500 2.637 1.981 3.317 . 0 0 "[ . 1 .]" 3
158 1 28 ILE O 1 38 GLN H 1.800 . 2.200 2.266 2.209 2.337 0.137 15 0 "[ . 1 .]" 3
159 1 28 ILE HA 1 29 LYS H 1.800 . 3.500 2.261 2.201 2.347 . 0 0 "[ . 1 .]" 3
160 1 29 LYS HA 1 37 ALA HA 1.800 . 3.200 3.224 3.096 3.282 0.082 10 0 "[ . 1 .]" 3
161 1 29 LYS HA 1 30 ALA H 1.800 . 3.500 2.703 2.659 2.807 . 0 0 "[ . 1 .]" 3
162 1 30 ALA H 1 30 ALA MB 1.800 . 2.800 2.098 2.065 2.123 . 0 0 "[ . 1 .]" 3
163 1 30 ALA H 1 37 ALA HA 1.800 . 6.000 3.199 3.107 3.335 . 0 0 "[ . 1 .]" 3
164 1 30 ALA H 1 37 ALA MB 1.800 . 4.500 4.012 3.697 4.063 . 0 0 "[ . 1 .]" 3
165 1 29 LYS H 1 30 ALA H 1.800 . 8.000 4.504 4.430 4.540 . 0 0 "[ . 1 .]" 3
166 1 29 LYS QB 1 30 ALA H 1.800 . 6.000 2.458 2.145 2.606 . 0 0 "[ . 1 .]" 3
167 1 30 ALA H 1 36 THR H 1.800 . 8.000 6.409 6.315 6.500 . 0 0 "[ . 1 .]" 3
168 1 29 LYS QG 1 30 ALA H 1.800 . 6.000 2.064 1.859 2.565 . 0 0 "[ . 1 .]" 3
169 1 30 ALA H 1 36 THR MG 1.800 . 6.800 6.106 6.082 6.130 . 0 0 "[ . 1 .]" 3
170 1 30 ALA HA 1 31 GLY H 1.800 . 2.800 2.275 2.211 2.365 . 0 0 "[ . 1 .]" 3
171 1 31 GLY H 1 35 PRO QD 1.800 . 6.000 5.350 5.280 5.376 . 0 0 "[ . 1 .]" 3
172 1 31 GLY H 1 32 PRO QD 1.800 . 6.000 3.972 3.880 4.103 . 0 0 "[ . 1 .]" 3
173 1 31 GLY HA3 1 32 PRO QD 1.800 . 2.800 2.018 1.972 2.095 . 0 0 "[ . 1 .]" 3
174 1 31 GLY HA2 1 32 PRO QD 1.800 . 2.800 2.535 2.454 2.599 . 0 0 "[ . 1 .]" 3
175 1 31 GLY H 1 34 CYS O 1.800 . 3.300 2.295 2.230 2.368 . 0 0 "[ . 1 .]" 3
176 1 32 PRO QD 1 36 THR MG 1.800 . 8.000 7.214 7.176 7.270 . 0 0 "[ . 1 .]" 3
177 1 33 HIS H 1 34 CYS H 1.800 . 3.000 2.642 2.595 2.708 . 0 0 "[ . 1 .]" 3
178 1 33 HIS HB2 1 33 HIS HD2 1.800 . 3.900 3.246 2.791 3.948 0.048 9 0 "[ . 1 .]" 3
179 1 33 HIS HB3 1 33 HIS HD2 1.800 . 3.900 3.750 2.998 3.952 0.052 4 0 "[ . 1 .]" 3
180 1 33 HIS HD2 1 34 CYS HA 1.800 . 8.000 4.028 3.245 5.562 . 0 0 "[ . 1 .]" 3
181 1 32 PRO HA 1 33 HIS HD2 1.800 . 8.000 6.102 4.275 7.291 . 0 0 "[ . 1 .]" 3
182 1 33 HIS HD2 1 34 CYS HB3 1.800 . 4.300 3.701 2.724 4.530 0.230 9 0 "[ . 1 .]" 3
183 1 31 GLY HA3 1 33 HIS HE1 1.800 . 7.000 5.180 4.697 5.475 . 0 0 "[ . 1 .]" 3
184 1 31 GLY HA2 1 33 HIS HE1 1.800 . 7.100 6.823 6.388 7.175 0.075 7 0 "[ . 1 .]" 3
185 1 34 CYS H 1 35 PRO QG 1.800 . 6.000 5.114 4.982 5.263 . 0 0 "[ . 1 .]" 3
186 1 34 CYS H 1 34 CYS HB3 1.800 . 3.500 2.941 2.758 3.102 . 0 0 "[ . 1 .]" 3
187 1 34 CYS H 1 34 CYS HB2 1.800 . 3.500 2.854 2.512 3.137 . 0 0 "[ . 1 .]" 3
188 1 34 CYS HA 1 35 PRO QD 1.800 . 3.600 1.999 1.962 2.068 . 0 0 "[ . 1 .]" 3
189 1 34 CYS HA 1 38 GLN QB 1.800 . 5.500 4.981 4.927 5.032 . 0 0 "[ . 1 .]" 3
190 1 34 CYS HA 1 38 GLN QG 1.800 . 6.000 5.414 5.364 5.488 . 0 0 "[ . 1 .]" 3
191 1 6 LEU HG 1 34 CYS HA 1.800 . 6.800 6.240 4.105 6.877 0.077 15 0 "[ . 1 .]" 3
192 1 6 LEU QD 1 34 CYS HA 1.800 . 6.000 4.287 3.340 5.199 . 0 0 "[ . 1 .]" 3
193 1 34 CYS HB3 1 38 GLN QB 1.800 . 6.500 3.392 3.004 4.277 . 0 0 "[ . 1 .]" 3
194 1 34 CYS HB3 1 36 THR MG 1.800 . 5.000 3.915 3.730 4.065 . 0 0 "[ . 1 .]" 3
195 1 34 CYS HB2 1 38 GLN QB 1.800 . 6.500 4.033 3.725 5.001 . 0 0 "[ . 1 .]" 3
196 1 34 CYS HB2 1 38 GLN QG 1.800 . 6.000 4.310 3.729 4.726 . 0 0 "[ . 1 .]" 3
197 1 35 PRO HA 1 35 PRO HB3 1.800 . 2.800 2.270 2.266 2.274 . 0 0 "[ . 1 .]" 3
198 1 35 PRO HA 1 35 PRO QG 1.800 . 3.900 3.506 3.503 3.510 . 0 0 "[ . 1 .]" 3
199 1 6 LEU QD 1 35 PRO QD 1.800 . 6.000 2.591 1.863 3.900 . 0 0 "[ . 1 .]" 3
200 1 34 CYS HA 1 36 THR H 1.800 . 4.500 3.160 3.103 3.235 . 0 0 "[ . 1 .]" 3
201 1 36 THR H 1 36 THR HB 1.800 . 2.800 2.812 2.782 2.837 0.037 2 0 "[ . 1 .]" 3
202 1 36 THR H 1 36 THR MG 1.800 . 2.800 1.916 1.873 1.987 . 0 0 "[ . 1 .]" 3
203 1 35 PRO QD 1 36 THR H 1.800 . 4.000 2.565 2.496 2.658 . 0 0 "[ . 1 .]" 3
204 1 34 CYS HB3 1 36 THR H 1.800 . 4.500 4.252 4.135 4.363 . 0 0 "[ . 1 .]" 3
205 1 34 CYS HB2 1 36 THR H 1.800 . 5.300 5.024 4.899 5.251 . 0 0 "[ . 1 .]" 3
206 1 30 ALA MB 1 36 THR HA 1.800 . 3.500 2.862 2.781 2.956 . 0 0 "[ . 1 .]" 3
207 1 34 CYS HB3 1 36 THR HA 1.800 . 8.000 6.487 6.287 6.604 . 0 0 "[ . 1 .]" 3
208 1 30 ALA H 1 36 THR O 1.800 . 4.300 4.367 4.321 4.398 0.098 5 0 "[ . 1 .]" 3
209 1 36 THR HA 1 37 ALA H 1.800 . 2.800 2.432 2.397 2.471 . 0 0 "[ . 1 .]" 3
210 1 37 ALA H 1 37 ALA MB 1.800 . 2.800 2.118 2.067 2.223 . 0 0 "[ . 1 .]" 3
211 1 36 THR MG 1 37 ALA H 1.800 . 4.500 3.625 3.448 3.736 . 0 0 "[ . 1 .]" 3
212 1 37 ALA H 1 53 LEU QD 1.800 . 8.000 4.950 3.815 6.260 . 0 0 "[ . 1 .]" 3
213 1 36 THR HB 1 37 ALA H 1.800 . 4.300 3.961 3.883 4.029 . 0 0 "[ . 1 .]" 3
214 1 30 ALA MB 1 37 ALA HA 1.800 . 3.500 2.955 2.888 3.094 . 0 0 "[ . 1 .]" 3
215 1 29 LYS QG 1 37 ALA HA 1.800 . 4.500 3.834 3.649 4.035 . 0 0 "[ . 1 .]" 3
216 1 37 ALA HA 1 38 GLN H 1.800 . 2.800 2.249 2.220 2.309 . 0 0 "[ . 1 .]" 3
217 1 37 ALA MB 1 38 GLN H 1.800 . 3.500 3.144 3.034 3.175 . 0 0 "[ . 1 .]" 3
218 1 28 ILE MG 1 38 GLN H 1.800 . 6.000 4.347 3.787 5.313 . 0 0 "[ . 1 .]" 3
219 1 28 ILE H 1 38 GLN O 1.800 . 2.200 2.182 2.054 2.350 0.150 15 0 "[ . 1 .]" 3
220 1 28 ILE MD 1 38 GLN H 1.800 . 6.000 4.465 2.333 5.529 . 0 0 "[ . 1 .]" 3
221 1 28 ILE MG 1 38 GLN QE 1.800 . 3.500 2.944 2.106 3.203 . 0 0 "[ . 1 .]" 3
222 1 28 ILE MD 1 38 GLN QE 1.800 . 4.500 2.637 1.689 3.432 0.111 10 0 "[ . 1 .]" 3
223 1 28 ILE MD 1 38 GLN QG 1.800 . 6.000 3.697 1.787 5.234 0.013 14 0 "[ . 1 .]" 3
224 1 28 ILE MD 1 38 GLN QB 1.800 . 5.000 3.060 1.714 4.472 0.086 12 0 "[ . 1 .]" 3
225 1 38 GLN QG 1 40 ILE MD 1.800 . 4.500 3.264 2.888 3.653 . 0 0 "[ . 1 .]" 3
226 1 38 GLN QG 1 50 CYS HB3 1.800 . 6.300 5.601 5.431 5.726 . 0 0 "[ . 1 .]" 3
227 1 38 GLN QG 1 50 CYS HB2 1.800 . 5.500 4.454 4.240 4.636 . 0 0 "[ . 1 .]" 3
228 1 39 LEU H 1 51 LEU H 1.800 . 4.500 4.362 3.982 4.576 0.076 8 0 "[ . 1 .]" 3
229 1 38 GLN HA 1 39 LEU H 1.800 . 2.800 2.219 2.134 2.314 . 0 0 "[ . 1 .]" 3
230 1 39 LEU H 1 39 LEU QB 1.800 . 4.500 2.818 2.378 3.332 . 0 0 "[ . 1 .]" 3
231 1 39 LEU H 1 39 LEU HG 1.800 . 4.400 3.532 1.974 4.446 0.046 7 0 "[ . 1 .]" 3
232 1 39 LEU H 1 39 LEU QD 1.800 . 4.500 3.158 1.899 4.006 . 0 0 "[ . 1 .]" 3
233 1 39 LEU QB 1 58 TYR QD 1.800 . 6.500 5.218 4.764 5.497 . 0 0 "[ . 1 .]" 3
234 1 39 LEU O 1 51 LEU H 1.800 . 2.400 2.466 2.392 2.541 0.141 2 0 "[ . 1 .]" 3
235 1 27 VAL HA 1 39 LEU HA 1.800 . 2.600 2.351 1.896 2.705 0.105 4 0 "[ . 1 .]" 3
236 1 25 LEU QD 1 39 LEU QB 1.800 . 3.900 3.257 2.553 3.682 . 0 0 "[ . 1 .]" 3
237 1 27 VAL QG 1 39 LEU HG 1.800 . 4.100 3.653 3.095 3.892 . 0 0 "[ . 1 .]" 3
238 1 27 VAL HA 1 40 ILE H 1.800 . 4.500 3.330 2.910 3.638 . 0 0 "[ . 1 .]" 3
239 1 26 GLU QG 1 40 ILE H 1.800 . 4.500 3.768 2.196 4.158 . 0 0 "[ . 1 .]" 3
240 1 39 LEU HA 1 40 ILE H 1.800 . 2.800 2.218 2.192 2.280 . 0 0 "[ . 1 .]" 3
241 1 39 LEU QB 1 40 ILE H 1.800 . 4.100 3.439 2.823 3.771 . 0 0 "[ . 1 .]" 3
242 1 26 GLU H 1 40 ILE H 1.800 . 3.500 3.596 3.502 3.745 0.245 2 0 "[ . 1 .]" 3
243 1 40 ILE H 1 40 ILE HB 1.800 . 2.800 2.541 2.455 2.611 . 0 0 "[ . 1 .]" 3
244 1 40 ILE H 1 40 ILE QG 1.800 . 4.500 2.750 2.632 2.812 . 0 0 "[ . 1 .]" 3
245 1 40 ILE H 1 40 ILE MD 1.800 . 4.500 3.741 3.622 3.904 . 0 0 "[ . 1 .]" 3
246 1 40 ILE HA 1 50 CYS HA 1.800 . 2.200 2.152 1.966 2.245 0.045 10 0 "[ . 1 .]" 3
247 1 40 ILE HA 1 50 CYS HB3 1.800 . 4.500 2.990 2.897 3.234 . 0 0 "[ . 1 .]" 3
248 1 40 ILE HA 1 50 CYS HB2 1.800 . 6.000 2.069 1.917 2.375 . 0 0 "[ . 1 .]" 3
249 1 26 GLU H 1 40 ILE O 1.800 . 2.400 2.130 2.083 2.229 . 0 0 "[ . 1 .]" 3
250 1 40 ILE HA 1 41 ALA H 1.800 . 2.800 2.509 2.471 2.542 . 0 0 "[ . 1 .]" 3
251 1 41 ALA H 1 50 CYS HA 1.800 . 3.500 2.900 2.796 2.994 . 0 0 "[ . 1 .]" 3
252 1 41 ALA H 1 48 LYS HA 1.800 . 6.000 4.058 3.954 4.143 . 0 0 "[ . 1 .]" 3
253 1 41 ALA H 1 49 ILE H 1.800 . 3.500 3.184 3.066 3.246 . 0 0 "[ . 1 .]" 3
254 1 41 ALA H 1 41 ALA MB 1.800 . 2.800 2.595 2.564 2.628 . 0 0 "[ . 1 .]" 3
255 1 40 ILE MG 1 41 ALA H 1.800 . 2.800 1.787 1.768 1.803 0.032 10 0 "[ . 1 .]" 3
256 1 40 ILE HB 1 41 ALA H 1.800 . 4.500 3.587 3.527 3.670 . 0 0 "[ . 1 .]" 3
257 1 40 ILE MD 1 41 ALA H 1.800 . 3.500 3.184 3.087 3.247 . 0 0 "[ . 1 .]" 3
258 1 40 ILE QG 1 41 ALA H 1.800 . 4.900 4.296 4.279 4.309 . 0 0 "[ . 1 .]" 3
259 1 41 ALA H 1 49 ILE MG 1.800 . 6.000 5.429 4.939 5.500 . 0 0 "[ . 1 .]" 3
260 1 25 LEU HA 1 41 ALA HA 1.800 . 2.200 1.827 1.796 1.858 0.004 4 0 "[ . 1 .]" 3
261 1 41 ALA HA 1 42 THR MG 1.800 . 5.300 4.928 4.909 4.944 . 0 0 "[ . 1 .]" 3
262 1 25 LEU QD 1 41 ALA HA 1.800 . 3.500 3.080 2.971 3.132 . 0 0 "[ . 1 .]" 3
263 1 41 ALA O 1 49 ILE H 1.800 . 3.200 2.786 2.733 2.896 . 0 0 "[ . 1 .]" 3
264 1 25 LEU HA 1 42 THR H 1.800 . 3.000 2.906 2.781 3.022 0.022 5 0 "[ . 1 .]" 3
265 1 25 LEU QD 1 42 THR H 1.800 . 4.500 4.174 4.109 4.233 . 0 0 "[ . 1 .]" 3
266 1 42 THR H 1 42 THR HB 1.800 . 3.500 3.267 3.247 3.306 . 0 0 "[ . 1 .]" 3
267 1 41 ALA HA 1 42 THR H 1.800 . 2.800 2.510 2.462 2.563 . 0 0 "[ . 1 .]" 3
268 1 24 SER QB 1 42 THR H 1.800 . 6.000 4.924 4.692 5.348 . 0 0 "[ . 1 .]" 3
269 1 41 ALA MB 1 42 THR H 1.800 . 2.800 2.200 2.114 2.293 . 0 0 "[ . 1 .]" 3
270 1 42 THR H 1 42 THR MG 1.800 . 4.500 3.950 3.937 3.961 . 0 0 "[ . 1 .]" 3
271 1 42 THR H 1 48 LYS HA 1.800 . 7.000 4.502 4.373 4.564 . 0 0 "[ . 1 .]" 3
272 1 24 SER H 1 42 THR H 1.800 . 3.500 3.528 3.454 3.581 0.081 3 0 "[ . 1 .]" 3
273 1 42 THR HA 1 48 LYS HA 1.800 . 2.800 2.336 2.268 2.380 . 0 0 "[ . 1 .]" 3
274 1 42 THR HA 1 48 LYS QB 1.800 . 4.500 3.962 3.756 4.050 . 0 0 "[ . 1 .]" 3
275 1 42 THR HA 1 48 LYS QG 1.800 . 5.500 2.096 2.007 2.152 . 0 0 "[ . 1 .]" 3
276 1 42 THR HA 1 48 LYS QD 1.800 . 5.500 3.589 3.450 3.820 . 0 0 "[ . 1 .]" 3
277 1 42 THR HA 1 42 THR MG 1.800 . 3.000 2.093 2.044 2.147 . 0 0 "[ . 1 .]" 3
278 1 42 THR HA 1 43 LEU QB 1.800 . 5.000 4.039 3.963 4.142 . 0 0 "[ . 1 .]" 3
279 1 42 THR HA 1 43 LEU HG 1.800 . 6.000 5.505 5.031 5.946 . 0 0 "[ . 1 .]" 3
280 1 42 THR HA 1 43 LEU QD 1.800 . 8.000 3.899 3.246 4.709 . 0 0 "[ . 1 .]" 3
281 1 24 SER H 1 42 THR O 1.600 . 2.300 2.532 2.432 2.605 0.305 15 0 "[ . 1 .]" 3
282 1 23 THR H 1 42 THR O 1.600 . 2.200 2.188 2.151 2.262 0.062 8 0 "[ . 1 .]" 3
283 1 42 THR HA 1 43 LEU H 1.800 . 2.800 2.228 2.191 2.265 . 0 0 "[ . 1 .]" 3
284 1 42 THR HB 1 43 LEU H 1.800 . 6.000 3.573 3.498 3.606 . 0 0 "[ . 1 .]" 3
285 1 42 THR MG 1 43 LEU H 1.800 . 2.800 2.548 2.532 2.571 . 0 0 "[ . 1 .]" 3
286 1 42 THR H 1 43 LEU H 1.800 . 6.000 4.321 4.308 4.359 . 0 0 "[ . 1 .]" 3
287 1 43 LEU H 1 48 LYS HA 1.800 . 3.500 3.652 3.584 3.702 0.202 7 0 "[ . 1 .]" 3
288 1 43 LEU H 1 46 GLY HA3 1.800 . 8.000 5.504 5.377 5.571 . 0 0 "[ . 1 .]" 3
289 1 43 LEU H 1 46 GLY H 1.800 . 6.000 5.605 5.568 5.666 . 0 0 "[ . 1 .]" 3
290 1 43 LEU H 1 44 LYS H 1.800 . 4.500 4.476 4.434 4.506 0.006 14 0 "[ . 1 .]" 3
291 1 43 LEU H 1 47 ARG H 1.800 . 2.800 2.493 2.345 2.563 . 0 0 "[ . 1 .]" 3
292 1 43 LEU HA 1 43 LEU QD 1.800 . 3.500 2.478 1.722 2.882 0.078 4 0 "[ . 1 .]" 3
293 1 43 LEU HA 1 47 ARG QG 1.800 . 7.000 4.682 4.198 6.424 . 0 0 "[ . 1 .]" 3
294 1 43 LEU HA 1 48 LYS QG 1.800 . 7.400 6.230 6.136 6.272 . 0 0 "[ . 1 .]" 3
295 1 22 ILE MD 1 43 LEU HA 1.800 . 6.000 2.434 1.925 4.476 . 0 0 "[ . 1 .]" 3
296 1 22 ILE QG 1 43 LEU HA 1.800 . 3.500 3.111 2.778 3.193 . 0 0 "[ . 1 .]" 3
297 1 23 THR MG 1 43 LEU HA 1.800 . 5.000 2.944 2.773 3.101 . 0 0 "[ . 1 .]" 3
298 1 22 ILE HA 1 43 LEU HA 1.800 . 5.000 2.026 1.907 2.236 . 0 0 "[ . 1 .]" 3
299 1 43 LEU O 1 47 ARG H 1.800 . 3.600 3.653 3.515 3.722 0.122 9 0 "[ . 1 .]" 3
300 1 43 LEU O 1 46 GLY H 1.800 . 3.600 4.067 4.001 4.192 0.592 2 3 "[ + -. 1* .]" 3
301 1 43 LEU QD 1 47 ARG QG 1.800 . 5.500 2.909 2.142 4.754 . 0 0 "[ . 1 .]" 3
302 1 43 LEU HA 1 44 LYS H 1.800 . 2.800 2.688 2.655 2.712 . 0 0 "[ . 1 .]" 3
303 1 43 LEU QB 1 44 LYS H 1.800 . 6.000 2.014 1.885 2.319 . 0 0 "[ . 1 .]" 3
304 1 43 LEU HG 1 44 LYS H 1.800 . 3.900 3.500 2.925 3.868 . 0 0 "[ . 1 .]" 3
305 1 43 LEU QD 1 44 LYS H 1.800 . 6.000 2.218 1.909 3.179 . 0 0 "[ . 1 .]" 3
306 1 21 HIS HA 1 44 LYS H 1.800 . 6.000 5.192 4.666 5.805 . 0 0 "[ . 1 .]" 3
307 1 21 HIS HB3 1 44 LYS H 1.800 . 6.000 4.477 3.550 5.864 . 0 0 "[ . 1 .]" 3
308 1 21 HIS HB2 1 44 LYS H 1.800 . 4.500 3.335 2.738 4.511 0.011 3 0 "[ . 1 .]" 3
309 1 44 LYS HA 1 45 ASN H 1.800 . 3.500 3.518 3.482 3.553 0.053 2 0 "[ . 1 .]" 3
310 1 45 ASN H 1 46 GLY H 1.800 . 4.500 4.021 3.956 4.145 . 0 0 "[ . 1 .]" 3
311 1 46 GLY H 1 47 ARG H 1.800 . 3.900 3.915 3.897 3.929 0.029 6 0 "[ . 1 .]" 3
312 1 45 ASN HA 1 46 GLY H 1.800 . 4.500 2.244 2.206 2.262 . 0 0 "[ . 1 .]" 3
313 1 44 LYS HA 1 46 GLY H 1.800 . 6.000 4.547 4.411 4.785 . 0 0 "[ . 1 .]" 3
314 1 43 LEU QB 1 46 GLY H 1.800 . 8.000 5.021 4.920 5.131 . 0 0 "[ . 1 .]" 3
315 1 42 THR MG 1 46 GLY HA3 1.800 . 4.500 4.107 4.082 4.145 . 0 0 "[ . 1 .]" 3
316 1 42 THR MG 1 46 GLY HA2 1.800 . 3.500 2.939 2.892 2.989 . 0 0 "[ . 1 .]" 3
317 1 46 GLY HA3 1 47 ARG H 1.800 . 3.500 3.452 3.435 3.463 . 0 0 "[ . 1 .]" 3
318 1 42 THR HA 1 47 ARG H 1.800 . 8.000 3.870 3.811 3.988 . 0 0 "[ . 1 .]" 3
319 1 47 ARG H 1 47 ARG QD 1.800 . 8.000 3.881 3.377 4.387 . 0 0 "[ . 1 .]" 3
320 1 47 ARG H 1 47 ARG QB 1.800 . 3.500 3.006 2.461 3.107 . 0 0 "[ . 1 .]" 3
321 1 47 ARG H 1 47 ARG QG 1.800 . 3.200 2.215 1.964 2.835 . 0 0 "[ . 1 .]" 3
322 1 47 ARG H 1 48 LYS H 1.800 . 4.500 4.383 4.310 4.408 . 0 0 "[ . 1 .]" 3
323 1 43 LEU QD 1 47 ARG H 1.800 . 6.000 4.373 4.028 4.569 . 0 0 "[ . 1 .]" 3
324 1 43 LEU QB 1 47 ARG H 1.800 . 3.500 3.174 2.765 3.262 . 0 0 "[ . 1 .]" 3
325 1 45 ASN HB2 1 47 ARG H 1.800 . 5.000 4.434 4.400 4.503 . 0 0 "[ . 1 .]" 3
326 1 43 LEU H 1 47 ARG O 1.600 . 2.400 2.442 2.342 2.524 0.124 2 0 "[ . 1 .]" 3
327 1 42 THR HA 1 48 LYS H 1.800 . 6.000 4.721 4.566 4.775 . 0 0 "[ . 1 .]" 3
328 1 47 ARG QB 1 48 LYS H 1.800 . 4.500 2.267 1.874 2.440 . 0 0 "[ . 1 .]" 3
329 1 47 ARG HA 1 48 LYS H 1.800 . 2.800 2.671 2.613 2.740 . 0 0 "[ . 1 .]" 3
330 1 47 ARG QG 1 48 LYS H 1.800 . 3.900 3.139 2.945 3.531 . 0 0 "[ . 1 .]" 3
331 1 45 ASN HB2 1 48 LYS H 1.800 . 7.300 7.094 6.936 7.202 . 0 0 "[ . 1 .]" 3
332 1 48 LYS H 1 49 ILE H 1.800 . 4.500 4.126 4.033 4.174 . 0 0 "[ . 1 .]" 3
333 1 48 LYS H 1 48 LYS QG 1.800 . 4.900 3.806 3.672 3.912 . 0 0 "[ . 1 .]" 3
334 1 48 LYS H 1 48 LYS QD 1.800 . 4.300 3.128 2.638 3.494 . 0 0 "[ . 1 .]" 3
335 1 48 LYS HA 1 48 LYS QG 1.800 . 2.800 2.082 1.999 2.190 . 0 0 "[ . 1 .]" 3
336 1 48 LYS HA 1 48 LYS QD 1.800 . 4.000 3.377 3.286 3.495 . 0 0 "[ . 1 .]" 3
337 1 48 LYS HA 1 48 LYS QE 1.800 . 6.000 4.626 4.244 4.876 . 0 0 "[ . 1 .]" 3
338 1 41 ALA MB 1 48 LYS HA 1.800 . 6.000 4.085 3.912 4.193 . 0 0 "[ . 1 .]" 3
339 1 42 THR MG 1 48 LYS HA 1.800 . 5.300 3.378 3.336 3.407 . 0 0 "[ . 1 .]" 3
340 1 48 LYS HA 1 49 ILE QG 1.800 . 4.500 3.400 3.280 4.114 . 0 0 "[ . 1 .]" 3
341 1 48 LYS HA 1 49 ILE MG 1.800 . 4.500 3.975 3.214 4.050 . 0 0 "[ . 1 .]" 3
342 1 48 LYS HA 1 49 ILE MD 1.800 . 3.900 3.385 3.349 3.415 . 0 0 "[ . 1 .]" 3
343 1 48 LYS QG 1 49 ILE H 1.800 . 4.500 3.702 3.549 3.833 . 0 0 "[ . 1 .]" 3
344 1 48 LYS HA 1 49 ILE H 1.800 . 2.800 2.010 2.000 2.030 . 0 0 "[ . 1 .]" 3
345 1 48 LYS QB 1 49 ILE H 1.800 . 3.900 3.177 3.125 3.223 . 0 0 "[ . 1 .]" 3
346 1 42 THR HA 1 49 ILE H 1.800 . 3.500 3.658 3.617 3.725 0.225 14 0 "[ . 1 .]" 3
347 1 40 ILE HA 1 49 ILE H 1.800 . 8.000 5.291 5.153 5.376 . 0 0 "[ . 1 .]" 3
348 1 49 ILE H 1 49 ILE HB 1.800 . 3.500 3.649 3.625 3.693 0.193 2 0 "[ . 1 .]" 3
349 1 49 ILE H 1 49 ILE QG 1.800 . 4.500 2.082 2.004 2.305 . 0 0 "[ . 1 .]" 3
350 1 49 ILE H 1 49 ILE MG 1.800 . 3.500 3.028 2.220 3.169 . 0 0 "[ . 1 .]" 3
351 1 49 ILE H 1 49 ILE MD 1.800 . 4.500 1.827 1.774 2.290 0.026 1 0 "[ . 1 .]" 3
352 1 41 ALA MB 1 49 ILE H 1.800 . 4.500 3.200 2.976 3.286 . 0 0 "[ . 1 .]" 3
353 1 41 ALA H 1 49 ILE O 1.600 . 2.200 2.215 2.153 2.325 0.125 3 0 "[ . 1 .]" 3
354 1 49 ILE MD 1 51 LEU HG 1.800 . 2.800 2.659 2.592 2.930 0.130 8 0 "[ . 1 .]" 3
355 1 43 LEU QD 1 49 ILE QG 1.800 . 3.700 2.428 2.001 3.485 . 0 0 "[ . 1 .]" 3
356 1 49 ILE HA 1 50 CYS H 1.800 . 3.600 3.106 3.019 3.209 . 0 0 "[ . 1 .]" 3
357 1 49 ILE HB 1 50 CYS H 1.800 . 3.500 1.802 1.757 2.048 0.043 1 0 "[ . 1 .]" 3
358 1 49 ILE MD 1 50 CYS H 1.800 . 6.000 2.263 1.985 3.655 . 0 0 "[ . 1 .]" 3
359 1 14 THR MG 1 50 CYS H 1.800 . 6.000 3.077 2.823 3.304 . 0 0 "[ . 1 .]" 3
360 1 15 SER HA 1 50 CYS H 1.800 . 6.000 5.534 5.457 5.682 . 0 0 "[ . 1 .]" 3
361 1 50 CYS H 1 50 CYS HB3 1.800 . 3.500 3.233 3.198 3.265 . 0 0 "[ . 1 .]" 3
362 1 50 CYS H 1 50 CYS HB2 1.800 . 4.000 4.092 4.081 4.104 0.104 12 0 "[ . 1 .]" 3
363 1 50 CYS HA 1 50 CYS HB3 1.800 . 2.800 2.683 2.615 2.735 . 0 0 "[ . 1 .]" 3
364 1 50 CYS HA 1 51 LEU QB 1.800 . 4.500 4.123 4.108 4.142 . 0 0 "[ . 1 .]" 3
365 1 50 CYS HA 1 51 LEU HG 1.800 . 4.500 3.426 3.285 3.838 . 0 0 "[ . 1 .]" 3
366 1 39 LEU QB 1 50 CYS HA 1.800 . 5.300 4.813 4.734 4.885 . 0 0 "[ . 1 .]" 3
367 1 39 LEU HG 1 50 CYS HA 1.800 . 4.500 4.588 4.416 4.689 0.189 8 0 "[ . 1 .]" 3
368 1 39 LEU QD 1 50 CYS HA 1.800 . 6.000 4.056 3.318 4.701 . 0 0 "[ . 1 .]" 3
369 1 40 ILE MG 1 50 CYS HA 1.800 . 5.900 3.406 3.208 3.554 . 0 0 "[ . 1 .]" 3
370 1 40 ILE MD 1 50 CYS HA 1.800 . 6.000 3.038 2.827 3.134 . 0 0 "[ . 1 .]" 3
371 1 10 CYS HB3 1 50 CYS HA 1.800 . 8.000 5.817 5.342 6.268 . 0 0 "[ . 1 .]" 3
372 1 10 CYS HB3 1 50 CYS HB3 1.800 . 6.000 4.272 3.576 4.764 . 0 0 "[ . 1 .]" 3
373 1 10 CYS HB2 1 50 CYS HB3 1.800 . 6.000 3.377 2.720 4.018 . 0 0 "[ . 1 .]" 3
374 1 40 ILE MG 1 50 CYS HB3 1.800 . 3.500 3.104 2.960 3.201 . 0 0 "[ . 1 .]" 3
375 1 10 CYS HB3 1 50 CYS HB2 1.800 . 4.300 3.646 3.157 4.191 . 0 0 "[ . 1 .]" 3
376 1 10 CYS HB2 1 50 CYS HB2 1.800 . 3.500 3.178 2.711 3.698 0.198 9 0 "[ . 1 .]" 3
377 1 40 ILE MG 1 50 CYS HB2 1.800 . 3.500 3.374 3.310 3.468 . 0 0 "[ . 1 .]" 3
378 1 51 LEU H 1 51 LEU MD1 1.800 . 5.000 4.081 3.869 4.259 . 0 0 "[ . 1 .]" 3
379 1 51 LEU H 1 51 LEU MD2 1.800 . 5.000 3.726 3.482 3.911 . 0 0 "[ . 1 .]" 3
380 1 51 LEU H 1 51 LEU QB 1.800 . 2.800 2.495 2.418 2.524 . 0 0 "[ . 1 .]" 3
381 1 39 LEU QD 1 51 LEU H 1.800 . 4.500 2.590 1.890 3.211 . 0 0 "[ . 1 .]" 3
382 1 39 LEU HG 1 51 LEU H 1.800 . 4.500 3.357 2.793 3.838 . 0 0 "[ . 1 .]" 3
383 1 39 LEU QB 1 51 LEU H 1.800 . 6.000 3.427 3.075 3.914 . 0 0 "[ . 1 .]" 3
384 1 50 CYS HA 1 51 LEU H 1.800 . 2.800 2.186 2.086 2.251 . 0 0 "[ . 1 .]" 3
385 1 50 CYS HB3 1 51 LEU H 1.800 . 4.000 4.253 4.191 4.368 0.368 8 0 "[ . 1 .]" 3
386 1 50 CYS HB2 1 51 LEU H 1.800 . 6.000 3.165 3.041 3.411 . 0 0 "[ . 1 .]" 3
387 1 40 ILE HA 1 51 LEU H 1.800 . 4.500 3.376 3.177 3.566 . 0 0 "[ . 1 .]" 3
388 1 13 THR HA 1 51 LEU H 1.800 . 8.000 5.389 5.172 5.604 . 0 0 "[ . 1 .]" 3
389 1 13 THR HA 1 51 LEU HA 1.800 . 4.500 3.838 3.654 4.096 . 0 0 "[ . 1 .]" 3
390 1 51 LEU HA 1 52 ASP HB3 1.800 . 5.600 4.885 4.547 5.660 0.060 14 0 "[ . 1 .]" 3
391 1 51 LEU HA 1 52 ASP HB2 1.800 . 6.000 5.557 4.277 5.899 . 0 0 "[ . 1 .]" 3
392 1 51 LEU HA 1 51 LEU MD1 1.800 . 4.000 3.712 3.630 3.780 . 0 0 "[ . 1 .]" 3
393 1 51 LEU HA 1 51 LEU MD2 1.800 . 4.000 1.900 1.852 1.974 . 0 0 "[ . 1 .]" 3
394 1 13 THR MG 1 51 LEU HA 1.800 . 4.500 1.956 1.878 2.249 . 0 0 "[ . 1 .]" 3
395 1 13 THR HB 1 51 LEU HA 1.800 . 4.500 4.222 4.126 4.382 . 0 0 "[ . 1 .]" 3
396 1 39 LEU H 1 51 LEU O 1.800 . 4.000 3.389 2.851 3.715 . 0 0 "[ . 1 .]" 3
397 1 51 LEU MD2 1 57 LEU MD2 1.800 . 3.800 2.261 1.833 2.616 . 0 0 "[ . 1 .]" 3
398 1 51 LEU QB 1 57 LEU QB 1.800 . 6.000 4.123 3.751 4.465 . 0 0 "[ . 1 .]" 3
399 1 51 LEU HA 1 52 ASP H 1.800 . 2.800 2.653 2.530 2.828 0.028 2 0 "[ . 1 .]" 3
400 1 52 ASP H 1 52 ASP HB3 1.800 . 3.500 3.105 2.849 3.298 . 0 0 "[ . 1 .]" 3
401 1 13 THR MG 1 52 ASP HB3 1.800 . 3.500 2.061 1.766 3.141 0.034 2 0 "[ . 1 .]" 3
402 1 13 THR MG 1 52 ASP HB2 1.800 . 3.500 2.873 1.769 3.216 0.031 14 0 "[ . 1 .]" 3
403 1 52 ASP HB2 1 56 PRO HB3 1.800 . 10.200 10.186 9.948 10.401 0.201 3 0 "[ . 1 .]" 3
404 1 52 ASP HB3 1 54 GLN QB 1.800 . 6.000 4.919 3.952 5.404 . 0 0 "[ . 1 .]" 3
405 1 52 ASP HB2 1 54 GLN QB 1.800 . 6.000 4.073 3.492 5.366 . 0 0 "[ . 1 .]" 3
406 1 52 ASP HB3 1 53 LEU H 1.800 . 4.500 3.264 2.090 3.734 . 0 0 "[ . 1 .]" 3
407 1 52 ASP HB2 1 53 LEU H 1.800 . 3.500 2.453 1.933 3.670 0.170 5 0 "[ . 1 .]" 3
408 1 55 ALA H 1 58 TYR QD 1.800 . 4.300 3.088 2.624 3.496 . 0 0 "[ . 1 .]" 3
409 1 55 ALA H 1 58 TYR QE 1.800 . 4.000 3.050 2.630 3.572 . 0 0 "[ . 1 .]" 3
410 1 56 PRO HA 1 59 LYS QB 1.800 . 6.000 2.030 1.923 2.172 . 0 0 "[ . 1 .]" 3
411 1 56 PRO O 1 60 LYS H 1.800 . 3.500 2.590 2.309 2.966 . 0 0 "[ . 1 .]" 3
412 1 56 PRO HB3 1 59 LYS QG 1.800 . 6.500 4.825 4.477 5.164 . 0 0 "[ . 1 .]" 3
413 1 56 PRO HB2 1 59 LYS QG 1.800 . 6.500 5.212 4.774 5.687 . 0 0 "[ . 1 .]" 3
414 1 56 PRO HA 1 57 LEU H 1.800 . 4.200 3.355 3.269 3.390 . 0 0 "[ . 1 .]" 3
415 1 57 LEU HA 1 60 LYS QB 1.800 . 3.500 3.200 3.164 3.242 . 0 0 "[ . 1 .]" 3
416 1 57 LEU H 1 59 LYS H 1.800 . 6.000 3.592 3.302 3.715 . 0 0 "[ . 1 .]" 3
417 1 57 LEU O 1 61 ILE H 1.800 . 2.800 2.821 2.671 2.855 0.055 15 0 "[ . 1 .]" 3
418 1 51 LEU QB 1 57 LEU HG 1.800 . 4.500 3.970 3.698 4.035 . 0 0 "[ . 1 .]" 3
419 1 19 PRO QG 1 57 LEU MD2 1.800 . 6.500 4.181 3.336 4.804 . 0 0 "[ . 1 .]" 3
420 1 19 PRO QB 1 57 LEU MD1 1.800 . 4.500 3.840 3.579 4.025 . 0 0 "[ . 1 .]" 3
421 1 19 PRO QG 1 57 LEU MD1 1.800 . 5.000 2.306 1.924 2.718 . 0 0 "[ . 1 .]" 3
422 1 57 LEU HA 1 58 TYR H 1.800 . 4.500 3.590 3.579 3.604 . 0 0 "[ . 1 .]" 3
423 1 57 LEU H 1 58 TYR H 1.800 . 2.800 2.790 2.730 2.845 0.045 11 0 "[ . 1 .]" 3
424 1 58 TYR H 1 58 TYR HB2 1.800 . 3.400 3.556 3.542 3.575 0.175 3 0 "[ . 1 .]" 3
425 1 58 TYR H 1 60 LYS H 1.800 . 6.000 4.100 4.037 4.145 . 0 0 "[ . 1 .]" 3
426 1 58 TYR HA 1 61 ILE HB 1.800 . 2.800 2.568 2.198 2.647 . 0 0 "[ . 1 .]" 3
427 1 58 TYR HA 1 61 ILE MD 1.800 . 4.500 2.120 1.914 2.288 . 0 0 "[ . 1 .]" 3
428 1 58 TYR HA 1 61 ILE H 1.800 . 4.500 2.931 2.842 3.032 . 0 0 "[ . 1 .]" 3
429 1 58 TYR QD 1 61 ILE QG 1.800 . 6.000 5.372 5.344 5.389 . 0 0 "[ . 1 .]" 3
430 1 58 TYR QD 1 61 ILE MG 1.800 . 4.500 4.104 4.093 4.117 . 0 0 "[ . 1 .]" 3
431 1 58 TYR QD 1 61 ILE MD 1.800 . 4.500 4.021 3.981 4.058 . 0 0 "[ . 1 .]" 3
432 1 58 TYR HA 1 58 TYR QD 1.800 . 4.300 3.673 3.660 3.684 . 0 0 "[ . 1 .]" 3
433 1 57 LEU HA 1 58 TYR QD 1.800 . 6.000 5.424 5.399 5.447 . 0 0 "[ . 1 .]" 3
434 1 58 TYR HB2 1 58 TYR QD 1.800 . 2.800 2.331 2.306 2.352 . 0 0 "[ . 1 .]" 3
435 1 58 TYR O 1 62 ILE H 1.800 . 2.800 2.093 2.060 2.135 . 0 0 "[ . 1 .]" 3
436 1 27 VAL QG 1 58 TYR QD 1.800 . 8.500 4.158 3.790 4.569 . 0 0 "[ . 1 .]" 3
437 1 39 LEU QD 1 58 TYR QD 1.800 . 7.000 3.175 2.727 3.651 . 0 0 "[ . 1 .]" 3
438 1 39 LEU QD 1 58 TYR HB3 1.800 . 3.800 3.254 2.819 3.473 . 0 0 "[ . 1 .]" 3
439 1 39 LEU QD 1 58 TYR HB2 1.800 . 3.800 2.940 2.481 3.379 . 0 0 "[ . 1 .]" 3
440 1 51 LEU QB 1 58 TYR HB3 1.800 . 5.500 2.919 2.556 3.458 . 0 0 "[ . 1 .]" 3
441 1 51 LEU QB 1 58 TYR HB2 1.800 . 5.500 3.380 3.066 3.829 . 0 0 "[ . 1 .]" 3
442 1 58 TYR HA 1 59 LYS H 1.800 . 4.500 3.459 3.444 3.466 . 0 0 "[ . 1 .]" 3
443 1 56 PRO QD 1 59 LYS H 1.800 . 6.000 5.368 5.357 5.386 . 0 0 "[ . 1 .]" 3
444 1 58 TYR H 1 59 LYS H 1.800 . 2.800 2.537 2.511 2.575 . 0 0 "[ . 1 .]" 3
445 1 59 LYS H 1 61 ILE H 1.800 . 5.000 3.874 3.730 3.944 . 0 0 "[ . 1 .]" 3
446 1 59 LYS H 1 59 LYS QB 1.800 . 3.500 2.211 2.099 2.298 . 0 0 "[ . 1 .]" 3
447 1 59 LYS H 1 59 LYS QG 1.800 . 4.500 3.869 3.258 4.025 . 0 0 "[ . 1 .]" 3
448 1 59 LYS H 1 62 ILE H 1.800 . 4.800 4.954 4.799 5.000 0.200 12 0 "[ . 1 .]" 3
449 1 59 LYS HA 1 62 ILE HB 1.800 . 2.800 2.895 2.872 2.930 0.130 11 0 "[ . 1 .]" 3
450 1 59 LYS HA 1 62 ILE MD 1.800 . 4.500 3.062 2.593 3.432 . 0 0 "[ . 1 .]" 3
451 1 59 LYS HA 1 63 LYS H 1.800 . 3.800 3.694 3.604 3.805 0.005 11 0 "[ . 1 .]" 3
452 1 59 LYS HA 1 60 LYS H 1.800 . 4.500 3.462 3.451 3.473 . 0 0 "[ . 1 .]" 3
453 1 59 LYS H 1 60 LYS H 1.800 . 2.800 2.495 2.434 2.527 . 0 0 "[ . 1 .]" 3
454 1 60 LYS H 1 62 ILE H 1.800 . 6.000 4.305 3.951 4.422 . 0 0 "[ . 1 .]" 3
455 1 56 PRO QD 1 60 LYS H 1.800 . 8.000 6.577 6.488 6.640 . 0 0 "[ . 1 .]" 3
456 1 60 LYS H 1 60 LYS QB 1.800 . 3.500 2.146 2.102 2.361 . 0 0 "[ . 1 .]" 3
457 1 60 LYS H 1 60 LYS QG 1.800 . 3.500 3.074 2.554 3.198 . 0 0 "[ . 1 .]" 3
458 1 60 LYS H 1 60 LYS QD 1.800 . 6.000 4.356 3.187 4.757 . 0 0 "[ . 1 .]" 3
459 1 60 LYS HA 1 63 LYS H 1.800 . 3.500 3.572 3.345 3.642 0.142 2 0 "[ . 1 .]" 3
460 1 60 LYS HA 1 63 LYS QB 1.800 . 2.800 2.377 2.253 2.610 . 0 0 "[ . 1 .]" 3
461 1 60 LYS HA 1 60 LYS QG 1.800 . 4.500 2.365 1.970 3.401 . 0 0 "[ . 1 .]" 3
462 1 60 LYS O 1 64 LYS H 1.800 . 2.800 2.173 2.131 2.210 . 0 0 "[ . 1 .]" 3
463 1 60 LYS HA 1 61 ILE H 1.800 . 3.500 3.471 3.440 3.488 . 0 0 "[ . 1 .]" 3
464 1 58 TYR HB2 1 61 ILE H 1.800 . 6.000 4.685 4.630 4.771 . 0 0 "[ . 1 .]" 3
465 1 60 LYS H 1 61 ILE H 1.800 . 2.800 2.302 2.234 2.368 . 0 0 "[ . 1 .]" 3
466 1 61 ILE H 1 63 LYS H 1.800 . 6.000 3.815 3.662 3.986 . 0 0 "[ . 1 .]" 3
467 1 61 ILE H 1 61 ILE HB 1.800 . 2.800 2.270 2.248 2.283 . 0 0 "[ . 1 .]" 3
468 1 61 ILE H 1 61 ILE MG 1.800 . 4.500 3.702 3.689 3.710 . 0 0 "[ . 1 .]" 3
469 1 61 ILE H 1 61 ILE MD 1.800 . 6.000 3.547 3.475 3.615 . 0 0 "[ . 1 .]" 3
470 1 61 ILE H 1 61 ILE QG 1.800 . 4.500 2.485 2.440 2.580 . 0 0 "[ . 1 .]" 3
471 1 61 ILE O 1 65 LEU H 1.800 . 2.800 2.219 2.155 2.381 . 0 0 "[ . 1 .]" 3
472 1 61 ILE HA 1 64 LYS QB 1.800 . 2.800 2.520 2.497 2.566 . 0 0 "[ . 1 .]" 3
473 1 61 ILE HA 1 61 ILE MG 1.800 . 4.500 2.531 2.519 2.549 . 0 0 "[ . 1 .]" 3
474 1 61 ILE HA 1 61 ILE MD 1.800 . 6.000 3.800 3.790 3.810 . 0 0 "[ . 1 .]" 3
475 1 61 ILE HA 1 61 ILE QG 1.800 . 4.500 2.327 2.313 2.340 . 0 0 "[ . 1 .]" 3
476 1 61 ILE HA 1 65 LEU QD 1.800 . 6.000 4.007 3.258 5.426 . 0 0 "[ . 1 .]" 3
477 1 61 ILE HA 1 63 LYS H 1.800 . 6.000 4.503 4.319 4.754 . 0 0 "[ . 1 .]" 3
478 1 61 ILE HA 1 64 LYS H 1.800 . 4.000 3.456 3.388 3.659 . 0 0 "[ . 1 .]" 3
479 1 61 ILE HA 1 62 ILE H 1.800 . 4.500 3.583 3.528 3.593 . 0 0 "[ . 1 .]" 3
480 1 51 LEU MD1 1 61 ILE MD 1.800 . 4.000 1.756 1.635 1.868 0.165 1 0 "[ . 1 .]" 3
481 1 25 LEU QD 1 61 ILE MD 1.800 . 6.500 2.589 2.333 2.883 . 0 0 "[ . 1 .]" 3
482 1 19 PRO QB 1 61 ILE MD 1.800 . 4.000 2.914 2.468 3.372 . 0 0 "[ . 1 .]" 3
483 1 62 ILE H 1 63 LYS H 1.800 . 2.800 2.688 2.395 2.768 . 0 0 "[ . 1 .]" 3
484 1 59 LYS HA 1 62 ILE H 1.800 . 4.500 3.381 3.270 3.482 . 0 0 "[ . 1 .]" 3
485 1 62 ILE H 1 64 LYS H 1.800 . 6.000 4.000 3.638 4.261 . 0 0 "[ . 1 .]" 3
486 1 60 LYS HA 1 62 ILE H 1.800 . 6.000 4.844 4.181 5.020 . 0 0 "[ . 1 .]" 3
487 1 62 ILE H 1 62 ILE HB 1.800 . 3.500 2.467 2.381 2.503 . 0 0 "[ . 1 .]" 3
488 1 62 ILE H 1 62 ILE MG 1.800 . 4.500 3.759 3.748 3.764 . 0 0 "[ . 1 .]" 3
489 1 62 ILE H 1 62 ILE MD 1.800 . 4.500 3.411 2.902 3.674 . 0 0 "[ . 1 .]" 3
490 1 62 ILE HA 1 65 LEU H 1.800 . 4.000 3.176 3.108 3.253 . 0 0 "[ . 1 .]" 3
491 1 62 ILE HA 1 65 LEU HG 1.800 . 3.500 3.538 3.347 3.763 0.263 15 0 "[ . 1 .]" 3
492 1 62 ILE HA 1 65 LEU QB 1.800 . 2.800 2.425 1.967 2.542 . 0 0 "[ . 1 .]" 3
493 1 62 ILE HA 1 65 LEU QD 1.800 . 3.500 2.465 1.804 3.130 . 0 0 "[ . 1 .]" 3
494 1 62 ILE HA 1 66 LEU MD1 1.800 . 6.000 3.843 3.594 4.077 . 0 0 "[ . 1 .]" 3
495 1 62 ILE HA 1 62 ILE MG 1.800 . 3.500 2.380 2.332 2.451 . 0 0 "[ . 1 .]" 3
496 1 62 ILE HA 1 62 ILE MD 1.800 . 4.500 3.807 3.774 3.846 . 0 0 "[ . 1 .]" 3
497 1 62 ILE O 1 66 LEU H 1.800 . 2.800 2.176 2.163 2.190 . 0 0 "[ . 1 .]" 3
498 1 25 LEU QD 1 62 ILE QG 1.800 . 3.800 3.388 3.147 3.504 . 0 0 "[ . 1 .]" 3
499 1 63 LYS H 1 64 LYS H 1.800 . 2.800 2.604 2.558 2.672 . 0 0 "[ . 1 .]" 3
500 1 63 LYS H 1 65 LEU H 1.800 . 4.500 3.903 3.688 4.027 . 0 0 "[ . 1 .]" 3
501 1 63 LYS H 1 63 LYS QB 1.800 . 3.500 2.211 2.055 2.325 . 0 0 "[ . 1 .]" 3
502 1 63 LYS H 1 63 LYS QG 1.800 . 3.500 2.821 2.537 3.189 . 0 0 "[ . 1 .]" 3
503 1 63 LYS HA 1 66 LEU H 1.800 . 3.500 3.246 3.163 3.413 . 0 0 "[ . 1 .]" 3
504 1 63 LYS HA 1 66 LEU MD1 1.800 . 4.000 1.884 1.775 1.915 0.025 12 0 "[ . 1 .]" 3
505 1 63 LYS HA 1 66 LEU MD2 1.800 . 6.000 4.448 4.256 4.528 . 0 0 "[ . 1 .]" 3
506 1 63 LYS HA 1 66 LEU QB 1.800 . 2.800 2.569 2.548 2.600 . 0 0 "[ . 1 .]" 3
507 1 63 LYS O 1 67 GLU H 1.800 . 2.800 2.162 2.107 2.190 . 0 0 "[ . 1 .]" 3
508 1 63 LYS HA 1 64 LYS H 1.800 . 4.500 3.518 3.494 3.551 . 0 0 "[ . 1 .]" 3
509 1 62 ILE HA 1 64 LYS H 1.800 . 4.500 4.152 4.021 4.521 0.021 15 0 "[ . 1 .]" 3
510 1 60 LYS HA 1 64 LYS H 1.800 . 4.500 3.954 3.641 4.102 . 0 0 "[ . 1 .]" 3
511 1 61 ILE H 1 64 LYS H 1.800 . 4.500 4.423 4.307 4.481 . 0 0 "[ . 1 .]" 3
512 1 64 LYS H 1 66 LEU H 1.800 . 6.000 3.936 3.809 4.091 . 0 0 "[ . 1 .]" 3
513 1 64 LYS H 1 64 LYS QB 1.800 . 3.500 2.148 2.080 2.280 . 0 0 "[ . 1 .]" 3
514 1 63 LYS QB 1 64 LYS H 1.800 . 3.500 2.861 2.665 3.239 . 0 0 "[ . 1 .]" 3
515 1 64 LYS HA 1 67 GLU H 1.800 . 4.000 3.513 3.445 3.575 . 0 0 "[ . 1 .]" 3
516 1 64 LYS HA 1 67 GLU QB 1.800 . 3.600 3.241 3.212 3.427 . 0 0 "[ . 1 .]" 3
517 1 64 LYS HA 1 67 GLU QG 1.800 . 4.500 2.314 1.741 3.199 0.059 2 0 "[ . 1 .]" 3
518 1 64 LYS H 1 65 LEU H 1.800 . 2.800 2.474 2.375 2.567 . 0 0 "[ . 1 .]" 3
519 1 65 LEU H 1 67 GLU H 1.800 . 6.000 4.040 3.868 4.142 . 0 0 "[ . 1 .]" 3
520 1 65 LEU H 1 66 LEU H 1.800 . 2.800 2.344 2.238 2.442 . 0 0 "[ . 1 .]" 3
521 1 64 LYS HA 1 65 LEU H 1.800 . 4.500 3.474 3.415 3.525 . 0 0 "[ . 1 .]" 3
522 1 64 LYS QB 1 65 LEU H 1.800 . 3.500 2.968 2.813 3.074 . 0 0 "[ . 1 .]" 3
523 1 61 ILE HA 1 65 LEU H 1.800 . 8.000 4.526 4.345 4.661 . 0 0 "[ . 1 .]" 3
524 1 65 LEU H 1 65 LEU QB 1.800 . 2.800 2.292 2.126 2.434 . 0 0 "[ . 1 .]" 3
525 1 65 LEU H 1 65 LEU QD 1.800 . 4.500 2.980 2.107 3.711 . 0 0 "[ . 1 .]" 3
526 1 65 LEU HA 1 67 GLU QG 1.800 . 4.500 3.834 3.633 4.229 . 0 0 "[ . 1 .]" 3
527 1 65 LEU HA 1 65 LEU QD 1.800 . 4.500 2.100 1.768 2.550 0.032 14 0 "[ . 1 .]" 3
528 1 25 LEU QD 1 65 LEU QD 1.800 . 4.500 3.419 2.761 3.879 . 0 0 "[ . 1 .]" 3
529 1 22 ILE MG 1 65 LEU QD 1.800 . 4.500 2.990 2.256 4.041 . 0 0 "[ . 1 .]" 3
530 1 65 LEU HA 1 66 LEU H 1.800 . 4.500 3.473 3.447 3.501 . 0 0 "[ . 1 .]" 3
531 1 65 LEU QB 1 66 LEU H 1.800 . 3.500 2.928 2.801 3.070 . 0 0 "[ . 1 .]" 3
532 1 66 LEU H 1 67 GLU H 1.800 . 2.800 2.411 2.322 2.494 . 0 0 "[ . 1 .]" 3
533 1 66 LEU H 1 67 GLU QG 1.800 . 6.000 3.780 3.379 3.965 . 0 0 "[ . 1 .]" 3
534 1 66 LEU H 1 66 LEU QB 1.800 . 3.500 2.253 2.209 2.323 . 0 0 "[ . 1 .]" 3
535 1 66 LEU H 1 66 LEU MD1 1.800 . 4.500 2.819 2.663 2.972 . 0 0 "[ . 1 .]" 3
536 1 66 LEU HA 1 66 LEU MD1 1.800 . 4.500 3.662 3.618 3.760 . 0 0 "[ . 1 .]" 3
537 1 66 LEU HA 1 66 LEU MD2 1.800 . 3.000 2.703 2.656 2.720 . 0 0 "[ . 1 .]" 3
538 1 67 GLU H 1 68 SER H 1.800 . 3.500 2.837 2.791 2.902 . 0 0 "[ . 1 .]" 3
539 1 65 LEU HA 1 67 GLU H 1.800 . 4.500 4.496 4.205 4.544 0.044 14 0 "[ . 1 .]" 3
540 1 66 LEU HA 1 67 GLU H 1.800 . 4.000 3.536 3.489 3.550 . 0 0 "[ . 1 .]" 3
541 1 67 GLU H 1 67 GLU QB 1.800 . 3.500 2.435 2.350 2.865 . 0 0 "[ . 1 .]" 3
542 1 67 GLU H 1 67 GLU QG 1.800 . 2.800 2.376 1.806 2.503 . 0 0 "[ . 1 .]" 3
543 1 66 LEU QB 1 67 GLU H 1.800 . 3.500 2.568 2.498 2.598 . 0 0 "[ . 1 .]" 3
544 1 66 LEU MD1 1 67 GLU H 1.800 . 4.500 4.108 4.070 4.135 . 0 0 "[ . 1 .]" 3
545 1 67 GLU HA 1 68 SER H 1.800 . 4.000 3.497 3.486 3.542 . 0 0 "[ . 1 .]" 3
546 1 67 GLU QG 1 68 SER H 1.800 . 4.500 2.116 1.938 3.534 . 0 0 "[ . 1 .]" 3
547 1 68 SER H 1 68 SER QB 1.800 . 3.500 2.584 2.234 3.061 . 0 0 "[ . 1 .]" 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 547
_Distance_constraint_stats_list.Viol_count 728
_Distance_constraint_stats_list.Viol_total 983.795
_Distance_constraint_stats_list.Viol_max 0.764
_Distance_constraint_stats_list.Viol_rms 0.0375
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0901
_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
2 4 LYS 0.299 0.103 14 0 "[ . 1 .]"
2 5 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 6 LEU 0.935 0.104 2 0 "[ . 1 .]"
2 7 ARG 0.773 0.112 4 0 "[ . 1 .]"
2 8 CYS 2.091 0.764 14 1 "[ . 1 +.]"
2 9 GLN 0.305 0.061 6 0 "[ . 1 .]"
2 10 CYS 1.066 0.199 14 0 "[ . 1 .]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 12 LYS 0.590 0.200 2 0 "[ . 1 .]"
2 13 THR 5.107 0.287 9 0 "[ . 1 .]"
2 14 THR 6.000 0.287 9 0 "[ . 1 .]"
2 15 SER 0.267 0.081 5 0 "[ . 1 .]"
2 16 GLN 0.000 0.000 . 0 "[ . 1 .]"
2 17 VAL 0.132 0.034 2 0 "[ . 1 .]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 19 PRO 0.000 0.000 . 0 "[ . 1 .]"
2 20 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 21 HIS 4.423 0.646 15 1 "[ . 1 +]"
2 22 ILE 0.157 0.036 3 0 "[ . 1 .]"
2 23 THR 1.841 0.226 6 0 "[ . 1 .]"
2 24 SER 3.757 0.263 10 0 "[ . 1 .]"
2 25 LEU 1.800 0.141 2 0 "[ . 1 .]"
2 26 GLU 1.683 0.250 12 0 "[ . 1 .]"
2 27 VAL 0.197 0.098 11 0 "[ . 1 .]"
2 28 ILE 1.606 0.166 15 0 "[ . 1 .]"
2 29 LYS 0.546 0.109 8 0 "[ . 1 .]"
2 30 ALA 0.950 0.102 7 0 "[ . 1 .]"
2 31 GLY 0.025 0.025 4 0 "[ . 1 .]"
2 32 PRO 0.299 0.103 14 0 "[ . 1 .]"
2 33 HIS 0.519 0.056 10 0 "[ . 1 .]"
2 34 CYS 1.256 0.764 14 1 "[ . 1 +.]"
2 35 PRO 0.000 0.000 . 0 "[ . 1 .]"
2 36 THR 1.161 0.102 7 0 "[ . 1 .]"
2 37 ALA 0.546 0.109 8 0 "[ . 1 .]"
2 38 GLN 1.348 0.103 12 0 "[ . 1 .]"
2 39 LEU 2.902 0.178 6 0 "[ . 1 .]"
2 40 ILE 1.748 0.250 12 0 "[ . 1 .]"
2 41 ALA 0.725 0.117 7 0 "[ . 1 .]"
2 42 THR 6.251 0.263 10 0 "[ . 1 .]"
2 43 LEU 12.244 0.503 4 2 "[ - +. 1 .]"
2 44 LYS 0.477 0.090 7 0 "[ . 1 .]"
2 45 ASN 0.311 0.054 2 0 "[ . 1 .]"
2 46 GLY 6.979 0.503 4 2 "[ - +. 1 .]"
2 47 ARG 1.802 0.131 3 0 "[ . 1 .]"
2 48 LYS 2.138 0.193 13 0 "[ . 1 .]"
2 49 ILE 5.493 0.221 10 0 "[ . 1 .]"
2 50 CYS 9.881 0.379 7 0 "[ . 1 .]"
2 51 LEU 6.214 0.379 7 0 "[ . 1 .]"
2 52 ASP 2.803 0.267 15 0 "[ . 1 .]"
2 53 LEU 0.937 0.267 15 0 "[ . 1 .]"
2 54 GLN 0.000 0.000 . 0 "[ . 1 .]"
2 55 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 56 PRO 0.217 0.093 11 0 "[ . 1 .]"
2 57 LEU 0.766 0.123 3 0 "[ . 1 .]"
2 58 TYR 2.641 0.209 9 0 "[ . 1 .]"
2 59 LYS 3.496 0.204 1 0 "[ . 1 .]"
2 60 LYS 1.141 0.138 2 0 "[ . 1 .]"
2 61 ILE 1.428 0.173 3 0 "[ . 1 .]"
2 62 ILE 4.354 0.276 7 0 "[ . 1 .]"
2 63 LYS 1.183 0.138 2 0 "[ . 1 .]"
2 64 LYS 0.006 0.006 15 0 "[ . 1 .]"
2 65 LEU 1.261 0.276 7 0 "[ . 1 .]"
2 66 LEU 0.027 0.027 12 0 "[ . 1 .]"
2 67 GLU 0.300 0.078 10 0 "[ . 1 .]"
2 68 SER 0.000 0.000 . 0 "[ . 1 .]"
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 2 4 LYS H 2 32 PRO O 1.800 . 5.800 5.703 5.239 5.903 0.103 14 0 "[ . 1 .]" 4
2 2 4 LYS HA 2 5 GLU H 1.800 . 3.600 2.795 2.191 3.585 . 0 0 "[ . 1 .]" 4
3 2 6 LEU H 2 6 LEU QB 1.800 . 3.600 2.770 2.231 3.239 . 0 0 "[ . 1 .]" 4
4 2 6 LEU H 2 6 LEU QD 1.800 . 8.000 3.182 1.894 4.110 . 0 0 "[ . 1 .]" 4
5 2 6 LEU QD 2 32 PRO HB3 1.800 . 4.800 4.372 4.300 4.478 . 0 0 "[ . 1 .]" 4
6 2 6 LEU QD 2 32 PRO HB2 1.800 . 4.000 3.292 3.172 3.533 . 0 0 "[ . 1 .]" 4
7 2 6 LEU QD 2 33 HIS HB3 1.800 . 4.000 2.929 2.389 3.571 . 0 0 "[ . 1 .]" 4
8 2 6 LEU QD 2 33 HIS HB2 1.800 . 4.000 3.126 2.303 3.667 . 0 0 "[ . 1 .]" 4
9 2 6 LEU QD 2 35 PRO QG 1.800 . 5.000 2.843 1.822 3.626 . 0 0 "[ . 1 .]" 4
10 2 6 LEU QB 2 35 PRO QD 1.800 . 5.300 3.392 2.704 4.748 . 0 0 "[ . 1 .]" 4
11 2 7 ARG H 2 8 CYS H 1.800 . 3.500 2.724 2.149 3.612 0.112 4 0 "[ . 1 .]" 4
12 2 6 LEU HA 2 7 ARG H 1.800 . 3.500 3.316 2.467 3.576 0.076 2 0 "[ . 1 .]" 4
13 2 7 ARG H 2 7 ARG QB 1.800 . 3.500 2.895 2.668 3.005 . 0 0 "[ . 1 .]" 4
14 2 7 ARG H 2 7 ARG QD 1.800 . 8.000 4.806 4.023 5.447 . 0 0 "[ . 1 .]" 4
15 2 6 LEU QD 2 7 ARG H 1.800 . 3.500 3.051 2.378 3.191 . 0 0 "[ . 1 .]" 4
16 2 7 ARG H 2 33 HIS O 1.800 . 2.500 2.229 2.095 2.517 0.017 9 0 "[ . 1 .]" 4
17 2 7 ARG QB 2 33 HIS HE1 1.800 . 6.000 5.401 5.373 5.468 . 0 0 "[ . 1 .]" 4
18 2 8 CYS H 2 8 CYS HB3 1.800 . 3.500 3.057 2.518 3.614 0.114 1 0 "[ . 1 .]" 4
19 2 8 CYS HB3 2 9 GLN QB 1.800 . 8.000 5.173 4.646 5.677 . 0 0 "[ . 1 .]" 4
20 2 8 CYS HB3 2 34 CYS HB2 1.800 . 5.000 4.500 4.022 5.764 0.764 14 1 "[ . 1 +.]" 4
21 2 8 CYS HB2 2 36 THR MG 1.800 . 4.000 3.637 3.581 3.710 . 0 0 "[ . 1 .]" 4
22 2 8 CYS HB3 2 9 GLN H 1.800 . 6.000 3.711 3.400 4.055 . 0 0 "[ . 1 .]" 4
23 2 8 CYS HB2 2 9 GLN H 1.800 . 4.500 4.301 4.004 4.557 0.057 12 0 "[ . 1 .]" 4
24 2 9 GLN H 2 10 CYS HB3 1.800 . 8.000 5.267 4.569 5.889 . 0 0 "[ . 1 .]" 4
25 2 9 GLN H 2 10 CYS HB2 1.800 . 8.000 5.144 4.425 5.725 . 0 0 "[ . 1 .]" 4
26 2 9 GLN H 2 9 GLN QB 1.800 . 3.500 2.340 2.259 2.588 . 0 0 "[ . 1 .]" 4
27 2 9 GLN H 2 9 GLN QG 1.800 . 4.500 3.604 1.929 4.043 . 0 0 "[ . 1 .]" 4
28 2 10 CYS HA 2 50 CYS HB3 1.800 . 8.000 4.966 4.520 5.409 . 0 0 "[ . 1 .]" 4
29 2 9 GLN HA 2 10 CYS H 1.800 . 3.500 3.489 3.437 3.561 0.061 6 0 "[ . 1 .]" 4
30 2 9 GLN H 2 10 CYS H 1.800 . 3.500 2.595 2.312 2.829 . 0 0 "[ . 1 .]" 4
31 2 8 CYS HB3 2 10 CYS H 1.800 . 3.500 3.153 2.480 3.647 0.147 14 0 "[ . 1 .]" 4
32 2 8 CYS HB2 2 10 CYS H 1.800 . 4.700 4.385 3.676 4.886 0.186 14 0 "[ . 1 .]" 4
33 2 10 CYS H 2 10 CYS HB3 1.800 . 3.500 2.925 2.526 3.459 . 0 0 "[ . 1 .]" 4
34 2 10 CYS H 2 10 CYS HB2 1.800 . 4.100 3.040 2.586 3.485 . 0 0 "[ . 1 .]" 4
35 2 9 GLN QB 2 10 CYS H 1.800 . 3.500 2.898 2.644 3.156 . 0 0 "[ . 1 .]" 4
36 2 9 GLN QG 2 10 CYS H 1.800 . 4.500 3.894 3.627 4.044 . 0 0 "[ . 1 .]" 4
37 2 10 CYS HA 2 11 VAL H 1.800 . 6.000 2.356 2.169 2.593 . 0 0 "[ . 1 .]" 4
38 2 12 LYS H 2 13 THR H 1.800 . 4.500 4.471 4.302 4.700 0.200 2 0 "[ . 1 .]" 4
39 2 13 THR H 2 14 THR H 1.800 . 4.500 4.443 4.310 4.559 0.059 6 0 "[ . 1 .]" 4
40 2 13 THR HA 2 13 THR MG 1.800 . 2.800 2.115 1.998 2.161 . 0 0 "[ . 1 .]" 4
41 2 13 THR HA 2 52 ASP HB3 1.800 . 7.000 5.146 4.291 6.310 . 0 0 "[ . 1 .]" 4
42 2 13 THR HA 2 52 ASP HB2 1.800 . 7.000 5.566 4.652 6.225 . 0 0 "[ . 1 .]" 4
43 2 13 THR HB 2 52 ASP HB3 1.800 . 5.500 4.551 3.799 5.633 0.133 9 0 "[ . 1 .]" 4
44 2 13 THR HB 2 52 ASP HB2 1.800 . 5.500 4.898 3.809 5.626 0.126 3 0 "[ . 1 .]" 4
45 2 13 THR HA 2 14 THR H 1.800 . 3.500 2.178 2.156 2.201 . 0 0 "[ . 1 .]" 4
46 2 14 THR H 2 51 LEU MD1 1.800 . 7.500 5.893 5.788 6.137 . 0 0 "[ . 1 .]" 4
47 2 14 THR H 2 51 LEU MD2 1.800 . 7.500 3.426 3.272 3.632 . 0 0 "[ . 1 .]" 4
48 2 14 THR H 2 51 LEU HA 1.800 . 5.000 3.126 2.984 3.348 . 0 0 "[ . 1 .]" 4
49 2 14 THR H 2 14 THR HB 1.800 . 3.500 2.739 2.544 2.991 . 0 0 "[ . 1 .]" 4
50 2 14 THR H 2 14 THR MG 1.800 . 4.300 3.800 3.722 3.823 . 0 0 "[ . 1 .]" 4
51 2 13 THR HB 2 14 THR H 1.800 . 3.500 3.710 3.656 3.787 0.287 9 0 "[ . 1 .]" 4
52 2 14 THR MG 2 49 ILE MG 1.800 . 6.000 2.403 2.054 3.136 . 0 0 "[ . 1 .]" 4
53 2 14 THR MG 2 49 ILE MD 1.800 . 5.000 4.215 3.858 4.469 . 0 0 "[ . 1 .]" 4
54 2 14 THR HA 2 14 THR MG 1.800 . 3.500 2.182 1.986 2.353 . 0 0 "[ . 1 .]" 4
55 2 14 THR HB 2 51 LEU MD2 1.800 . 5.000 3.206 3.029 3.513 . 0 0 "[ . 1 .]" 4
56 2 14 THR H 2 50 CYS O 1.800 . 2.200 2.225 2.165 2.337 0.137 11 0 "[ . 1 .]" 4
57 2 14 THR H 2 50 CYS HB3 1.800 . 5.000 4.743 4.578 5.021 0.021 2 0 "[ . 1 .]" 4
58 2 14 THR H 2 50 CYS HB2 1.800 . 5.000 4.819 4.643 4.990 . 0 0 "[ . 1 .]" 4
59 2 14 THR O 2 50 CYS H 1.800 . 3.400 3.546 3.505 3.616 0.216 15 0 "[ . 1 .]" 4
60 2 14 THR HA 2 15 SER H 1.800 . 6.000 2.633 2.598 2.693 . 0 0 "[ . 1 .]" 4
61 2 13 THR HB 2 15 SER H 1.800 . 4.500 2.938 2.806 3.058 . 0 0 "[ . 1 .]" 4
62 2 13 THR MG 2 15 SER H 1.800 . 4.000 3.586 3.476 3.615 . 0 0 "[ . 1 .]" 4
63 2 14 THR H 2 15 SER H 1.800 . 4.500 3.443 3.361 3.495 . 0 0 "[ . 1 .]" 4
64 2 15 SER H 2 15 SER HB2 1.800 . 3.500 3.023 2.435 3.581 0.081 5 0 "[ . 1 .]" 4
65 2 15 SER HA 2 16 GLN H 1.800 . 4.000 3.370 3.332 3.429 . 0 0 "[ . 1 .]" 4
66 2 15 SER H 2 16 GLN H 1.800 . 4.500 2.637 2.541 2.685 . 0 0 "[ . 1 .]" 4
67 2 15 SER HB3 2 17 VAL H 1.800 . 6.000 5.204 4.892 5.502 . 0 0 "[ . 1 .]" 4
68 2 15 SER HB2 2 17 VAL H 1.800 . 8.000 5.120 4.860 5.476 . 0 0 "[ . 1 .]" 4
69 2 17 VAL H 2 17 VAL HB 1.800 . 2.800 2.519 2.483 2.585 . 0 0 "[ . 1 .]" 4
70 2 17 VAL H 2 17 VAL MG1 1.800 . 6.000 3.689 2.288 3.803 . 0 0 "[ . 1 .]" 4
71 2 17 VAL H 2 17 VAL MG2 1.800 . 6.000 2.469 2.094 3.766 . 0 0 "[ . 1 .]" 4
72 2 17 VAL HB 2 51 LEU HG 1.800 . 5.000 4.924 4.506 5.034 0.034 2 0 "[ . 1 .]" 4
73 2 17 VAL HB 2 51 LEU MD2 1.800 . 4.000 3.476 3.108 3.588 . 0 0 "[ . 1 .]" 4
74 2 17 VAL HA 2 18 ARG H 1.800 . 4.500 2.303 2.212 2.395 . 0 0 "[ . 1 .]" 4
75 2 18 ARG H 2 18 ARG QB 1.800 . 3.500 2.383 2.121 2.784 . 0 0 "[ . 1 .]" 4
76 2 18 ARG H 2 18 ARG QG 1.800 . 4.500 3.126 1.982 3.984 . 0 0 "[ . 1 .]" 4
77 2 19 PRO QG 2 61 ILE MD 1.800 . 6.000 3.759 3.178 4.220 . 0 0 "[ . 1 .]" 4
78 2 20 ARG QG 2 64 LYS QD 1.800 . 4.500 3.933 3.652 4.045 . 0 0 "[ . 1 .]" 4
79 2 21 HIS H 2 44 LYS HA 1.800 . 8.000 7.495 6.982 7.874 . 0 0 "[ . 1 .]" 4
80 2 21 HIS H 2 21 HIS HB3 1.800 . 3.500 3.522 2.784 3.729 0.229 13 0 "[ . 1 .]" 4
81 2 21 HIS HA 2 21 HIS HD2 1.800 . 4.200 4.316 3.891 4.846 0.646 15 1 "[ . 1 +]" 4
82 2 21 HIS HD2 2 22 ILE MD 1.800 . 8.000 5.867 3.337 7.197 . 0 0 "[ . 1 .]" 4
83 2 21 HIS HD2 2 44 LYS QG 1.800 . 6.000 5.072 4.315 5.413 . 0 0 "[ . 1 .]" 4
84 2 20 ARG QB 2 21 HIS HD2 1.800 . 6.000 2.926 2.299 4.484 . 0 0 "[ . 1 .]" 4
85 2 20 ARG QG 2 21 HIS HD2 1.800 . 6.000 4.819 4.044 5.423 . 0 0 "[ . 1 .]" 4
86 2 20 ARG QD 2 21 HIS HD2 1.800 . 6.000 4.474 3.452 5.359 . 0 0 "[ . 1 .]" 4
87 2 21 HIS HB3 2 43 LEU QD 1.800 . 5.000 3.982 3.392 4.519 . 0 0 "[ . 1 .]" 4
88 2 21 HIS HB2 2 43 LEU QD 1.800 . 5.000 2.765 2.070 4.050 . 0 0 "[ . 1 .]" 4
89 2 21 HIS HD2 2 43 LEU QD 1.800 . 3.500 2.969 1.794 3.192 0.006 12 0 "[ . 1 .]" 4
90 2 21 HIS HA 2 22 ILE H 1.800 . 4.500 2.935 2.498 3.163 . 0 0 "[ . 1 .]" 4
91 2 22 ILE H 2 22 ILE HB 1.800 . 3.500 2.145 1.934 2.309 . 0 0 "[ . 1 .]" 4
92 2 22 ILE H 2 22 ILE MG 1.800 . 3.500 2.837 2.655 3.412 . 0 0 "[ . 1 .]" 4
93 2 22 ILE H 2 22 ILE QG 1.800 . 4.500 3.840 2.932 4.091 . 0 0 "[ . 1 .]" 4
94 2 22 ILE H 2 22 ILE MD 1.800 . 4.900 3.664 3.203 4.188 . 0 0 "[ . 1 .]" 4
95 2 21 HIS HB3 2 22 ILE H 1.800 . 4.600 4.602 4.567 4.636 0.036 3 0 "[ . 1 .]" 4
96 2 21 HIS HB2 2 22 ILE H 1.800 . 4.400 4.123 3.861 4.428 0.028 7 0 "[ . 1 .]" 4
97 2 21 HIS H 2 22 ILE H 1.800 . 3.500 2.857 2.638 3.343 . 0 0 "[ . 1 .]" 4
98 2 22 ILE HA 2 44 LYS H 1.800 . 6.000 3.371 3.227 3.621 . 0 0 "[ . 1 .]" 4
99 2 22 ILE MD 2 51 LEU MD1 1.800 . 5.000 3.913 3.399 4.432 . 0 0 "[ . 1 .]" 4
100 2 22 ILE MD 2 25 LEU QD 1.800 . 7.000 3.879 2.499 4.555 . 0 0 "[ . 1 .]" 4
101 2 22 ILE MD 2 23 THR H 1.800 . 3.900 3.029 1.908 3.383 . 0 0 "[ . 1 .]" 4
102 2 22 ILE HA 2 23 THR H 1.800 . 2.800 2.496 2.365 2.577 . 0 0 "[ . 1 .]" 4
103 2 22 ILE MG 2 23 THR H 1.800 . 2.800 2.489 2.109 2.574 . 0 0 "[ . 1 .]" 4
104 2 23 THR HB 2 42 THR MG 1.800 . 6.000 5.154 4.929 5.359 . 0 0 "[ . 1 .]" 4
105 2 23 THR H 2 23 THR MG 1.800 . 2.800 2.197 1.975 2.577 . 0 0 "[ . 1 .]" 4
106 2 23 THR H 2 43 LEU HA 1.800 . 2.800 2.916 2.840 3.026 0.226 6 0 "[ . 1 .]" 4
107 2 23 THR H 2 24 SER H 1.800 . 2.800 1.987 1.944 2.088 . 0 0 "[ . 1 .]" 4
108 2 23 THR H 2 44 LYS H 1.800 . 8.000 4.688 4.426 4.892 . 0 0 "[ . 1 .]" 4
109 2 23 THR H 2 24 SER HA 1.800 . 8.000 4.321 4.203 4.514 . 0 0 "[ . 1 .]" 4
110 2 24 SER H 2 42 THR HB 1.800 . 3.500 2.601 2.459 2.700 . 0 0 "[ . 1 .]" 4
111 2 24 SER H 2 24 SER QB 1.800 . 3.500 3.109 2.887 3.249 . 0 0 "[ . 1 .]" 4
112 2 24 SER H 2 42 THR MG 1.800 . 6.000 4.238 4.120 4.324 . 0 0 "[ . 1 .]" 4
113 2 23 THR HB 2 24 SER H 1.800 . 4.500 3.794 3.617 3.878 . 0 0 "[ . 1 .]" 4
114 2 24 SER O 2 42 THR H 1.600 . 2.200 2.129 2.109 2.196 . 0 0 "[ . 1 .]" 4
115 2 24 SER HA 2 24 SER QB 1.800 . 2.800 2.266 2.176 2.404 . 0 0 "[ . 1 .]" 4
116 2 24 SER HA 2 25 LEU QB 1.800 . 6.000 3.790 3.751 3.830 . 0 0 "[ . 1 .]" 4
117 2 24 SER HA 2 25 LEU H 1.800 . 2.800 2.374 2.327 2.449 . 0 0 "[ . 1 .]" 4
118 2 24 SER QB 2 25 LEU H 1.800 . 3.200 2.611 2.535 2.652 . 0 0 "[ . 1 .]" 4
119 2 25 LEU H 2 25 LEU QB 1.800 . 2.800 2.755 2.615 2.837 0.037 12 0 "[ . 1 .]" 4
120 2 25 LEU H 2 25 LEU HG 1.800 . 4.400 3.261 2.589 4.429 0.029 3 0 "[ . 1 .]" 4
121 2 25 LEU H 2 25 LEU QD 1.800 . 4.500 3.312 3.046 3.502 . 0 0 "[ . 1 .]" 4
122 2 25 LEU HA 2 26 GLU QB 1.800 . 5.000 4.569 4.515 4.604 . 0 0 "[ . 1 .]" 4
123 2 25 LEU HA 2 26 GLU QG 1.800 . 3.500 3.224 3.174 3.367 . 0 0 "[ . 1 .]" 4
124 2 25 LEU HA 2 41 ALA MB 1.800 . 3.500 3.236 3.194 3.278 . 0 0 "[ . 1 .]" 4
125 2 25 LEU HA 2 25 LEU QB 1.800 . 2.800 2.162 2.155 2.184 . 0 0 "[ . 1 .]" 4
126 2 25 LEU HA 2 25 LEU HG 1.800 . 3.500 3.406 2.901 3.641 0.141 2 0 "[ . 1 .]" 4
127 2 25 LEU HA 2 25 LEU QD 1.800 . 3.500 3.202 3.138 3.274 . 0 0 "[ . 1 .]" 4
128 2 25 LEU HG 2 58 TYR QD 1.800 . 8.000 6.207 5.815 6.686 . 0 0 "[ . 1 .]" 4
129 2 25 LEU HA 2 26 GLU H 1.800 . 2.800 2.185 2.110 2.229 . 0 0 "[ . 1 .]" 4
130 2 26 GLU H 2 41 ALA HA 1.800 . 3.500 2.519 2.354 2.736 . 0 0 "[ . 1 .]" 4
131 2 25 LEU H 2 26 GLU H 1.800 . 8.000 4.349 4.273 4.389 . 0 0 "[ . 1 .]" 4
132 2 26 GLU H 2 42 THR H 1.800 . 6.000 4.711 4.586 4.887 . 0 0 "[ . 1 .]" 4
133 2 26 GLU H 2 26 GLU QB 1.800 . 3.500 2.703 2.609 3.017 . 0 0 "[ . 1 .]" 4
134 2 26 GLU H 2 26 GLU QG 1.800 . 3.500 1.911 1.783 1.997 0.017 5 0 "[ . 1 .]" 4
135 2 25 LEU QB 2 26 GLU H 1.800 . 3.500 3.131 2.939 3.393 . 0 0 "[ . 1 .]" 4
136 2 25 LEU HG 2 26 GLU H 1.800 . 6.000 3.559 2.130 4.221 . 0 0 "[ . 1 .]" 4
137 2 26 GLU H 2 40 ILE MG 1.800 . 4.000 3.669 3.602 3.762 . 0 0 "[ . 1 .]" 4
138 2 26 GLU H 2 40 ILE HB 1.800 . 4.500 3.421 3.209 3.774 . 0 0 "[ . 1 .]" 4
139 2 26 GLU HA 2 26 GLU QB 1.800 . 2.800 2.261 2.172 2.295 . 0 0 "[ . 1 .]" 4
140 2 26 GLU HA 2 26 GLU QG 1.800 . 3.500 2.671 2.506 3.231 . 0 0 "[ . 1 .]" 4
141 2 26 GLU O 2 40 ILE H 1.800 . 2.500 2.351 2.189 2.632 0.132 11 0 "[ . 1 .]" 4
142 2 25 LEU QD 2 26 GLU HA 1.800 . 3.500 3.206 3.136 3.275 . 0 0 "[ . 1 .]" 4
143 2 25 LEU HG 2 26 GLU HA 1.800 . 4.500 4.293 3.863 4.559 0.059 6 0 "[ . 1 .]" 4
144 2 26 GLU HA 2 27 VAL H 1.800 . 2.800 2.326 2.245 2.433 . 0 0 "[ . 1 .]" 4
145 2 27 VAL H 2 27 VAL HB 1.800 . 3.200 2.844 2.781 3.012 . 0 0 "[ . 1 .]" 4
146 2 27 VAL H 2 27 VAL QG 1.800 . 3.500 2.790 2.602 3.178 . 0 0 "[ . 1 .]" 4
147 2 26 GLU QB 2 27 VAL H 1.800 . 3.500 2.616 2.432 2.757 . 0 0 "[ . 1 .]" 4
148 2 26 GLU QG 2 27 VAL H 1.800 . 4.500 4.149 4.014 4.204 . 0 0 "[ . 1 .]" 4
149 2 27 VAL HA 2 28 ILE H 1.800 . 2.800 2.263 2.169 2.300 . 0 0 "[ . 1 .]" 4
150 2 27 VAL QG 2 28 ILE H 1.800 . 3.500 3.139 3.041 3.236 . 0 0 "[ . 1 .]" 4
151 2 28 ILE H 2 39 LEU HA 1.800 . 3.500 2.400 2.120 2.827 . 0 0 "[ . 1 .]" 4
152 2 28 ILE H 2 38 GLN H 1.800 . 4.500 4.450 4.281 4.567 0.067 5 0 "[ . 1 .]" 4
153 2 28 ILE H 2 38 GLN QG 1.800 . 6.000 5.162 3.827 5.419 . 0 0 "[ . 1 .]" 4
154 2 28 ILE H 2 28 ILE HB 1.800 . 3.600 2.952 2.584 3.766 0.166 15 0 "[ . 1 .]" 4
155 2 28 ILE H 2 28 ILE QG 1.800 . 4.500 2.723 1.848 4.070 . 0 0 "[ . 1 .]" 4
156 2 28 ILE H 2 28 ILE MG 1.800 . 4.500 3.401 1.899 3.871 . 0 0 "[ . 1 .]" 4
157 2 28 ILE H 2 28 ILE MD 1.800 . 3.500 2.677 2.012 3.295 . 0 0 "[ . 1 .]" 4
158 2 28 ILE O 2 38 GLN H 1.800 . 2.200 2.258 2.215 2.303 0.103 12 0 "[ . 1 .]" 4
159 2 28 ILE HA 2 29 LYS H 1.800 . 3.500 2.255 2.202 2.328 . 0 0 "[ . 1 .]" 4
160 2 29 LYS HA 2 37 ALA HA 1.800 . 3.200 3.227 3.122 3.309 0.109 8 0 "[ . 1 .]" 4
161 2 29 LYS HA 2 30 ALA H 1.800 . 3.500 2.693 2.633 2.811 . 0 0 "[ . 1 .]" 4
162 2 30 ALA H 2 30 ALA MB 1.800 . 2.800 2.095 2.068 2.117 . 0 0 "[ . 1 .]" 4
163 2 30 ALA H 2 37 ALA HA 1.800 . 6.000 3.189 3.103 3.354 . 0 0 "[ . 1 .]" 4
164 2 30 ALA H 2 37 ALA MB 1.800 . 4.500 4.028 3.874 4.064 . 0 0 "[ . 1 .]" 4
165 2 29 LYS H 2 30 ALA H 1.800 . 8.000 4.509 4.430 4.553 . 0 0 "[ . 1 .]" 4
166 2 29 LYS QB 2 30 ALA H 1.800 . 6.000 2.511 2.144 2.802 . 0 0 "[ . 1 .]" 4
167 2 30 ALA H 2 36 THR H 1.800 . 8.000 6.408 6.326 6.525 . 0 0 "[ . 1 .]" 4
168 2 29 LYS QG 2 30 ALA H 1.800 . 6.000 2.049 1.879 2.519 . 0 0 "[ . 1 .]" 4
169 2 30 ALA H 2 36 THR MG 1.800 . 6.800 6.108 6.074 6.141 . 0 0 "[ . 1 .]" 4
170 2 30 ALA HA 2 31 GLY H 1.800 . 2.800 2.277 2.217 2.365 . 0 0 "[ . 1 .]" 4
171 2 31 GLY H 2 35 PRO QD 1.800 . 6.000 5.353 5.311 5.379 . 0 0 "[ . 1 .]" 4
172 2 31 GLY H 2 32 PRO QD 1.800 . 6.000 3.944 3.886 4.080 . 0 0 "[ . 1 .]" 4
173 2 31 GLY HA3 2 32 PRO QD 1.800 . 2.800 2.002 1.977 2.072 . 0 0 "[ . 1 .]" 4
174 2 31 GLY HA2 2 32 PRO QD 1.800 . 2.800 2.554 2.439 2.592 . 0 0 "[ . 1 .]" 4
175 2 31 GLY H 2 34 CYS O 1.800 . 3.300 2.291 2.221 2.363 . 0 0 "[ . 1 .]" 4
176 2 32 PRO QD 2 36 THR MG 1.800 . 8.000 7.211 7.180 7.299 . 0 0 "[ . 1 .]" 4
177 2 33 HIS H 2 34 CYS H 1.800 . 3.000 2.645 2.605 2.722 . 0 0 "[ . 1 .]" 4
178 2 33 HIS HB2 2 33 HIS HD2 1.800 . 3.900 3.008 2.786 3.907 0.007 4 0 "[ . 1 .]" 4
179 2 33 HIS HB3 2 33 HIS HD2 1.800 . 3.900 3.896 3.401 3.956 0.056 10 0 "[ . 1 .]" 4
180 2 33 HIS HD2 2 34 CYS HA 1.800 . 8.000 3.748 3.300 4.668 . 0 0 "[ . 1 .]" 4
181 2 32 PRO HA 2 33 HIS HD2 1.800 . 8.000 6.613 4.314 7.279 . 0 0 "[ . 1 .]" 4
182 2 33 HIS HD2 2 34 CYS HB3 1.800 . 4.300 3.537 2.891 4.015 . 0 0 "[ . 1 .]" 4
183 2 31 GLY HA3 2 33 HIS HE1 1.800 . 7.000 5.021 4.424 5.392 . 0 0 "[ . 1 .]" 4
184 2 31 GLY HA2 2 33 HIS HE1 1.800 . 7.100 6.625 5.954 7.125 0.025 4 0 "[ . 1 .]" 4
185 2 34 CYS H 2 35 PRO QG 1.800 . 6.000 5.152 5.037 5.282 . 0 0 "[ . 1 .]" 4
186 2 34 CYS H 2 34 CYS HB3 1.800 . 3.500 2.980 2.824 3.614 0.114 14 0 "[ . 1 .]" 4
187 2 34 CYS H 2 34 CYS HB2 1.800 . 3.500 2.821 2.376 2.982 . 0 0 "[ . 1 .]" 4
188 2 34 CYS HA 2 35 PRO QD 1.800 . 3.600 1.996 1.954 2.073 . 0 0 "[ . 1 .]" 4
189 2 34 CYS HA 2 38 GLN QB 1.800 . 5.500 4.957 4.612 5.014 . 0 0 "[ . 1 .]" 4
190 2 34 CYS HA 2 38 GLN QG 1.800 . 6.000 5.422 5.360 5.532 . 0 0 "[ . 1 .]" 4
191 2 6 LEU HG 2 34 CYS HA 1.800 . 6.800 6.471 4.788 6.904 0.104 2 0 "[ . 1 .]" 4
192 2 6 LEU QD 2 34 CYS HA 1.800 . 6.000 4.163 3.638 4.802 . 0 0 "[ . 1 .]" 4
193 2 34 CYS HB3 2 38 GLN QB 1.800 . 6.500 3.245 2.999 3.625 . 0 0 "[ . 1 .]" 4
194 2 34 CYS HB3 2 36 THR MG 1.800 . 5.000 3.853 3.200 4.036 . 0 0 "[ . 1 .]" 4
195 2 34 CYS HB2 2 38 GLN QB 1.800 . 6.500 3.956 3.756 4.455 . 0 0 "[ . 1 .]" 4
196 2 34 CYS HB2 2 38 GLN QG 1.800 . 6.000 4.295 3.763 4.743 . 0 0 "[ . 1 .]" 4
197 2 35 PRO HA 2 35 PRO HB3 1.800 . 2.800 2.271 2.266 2.277 . 0 0 "[ . 1 .]" 4
198 2 35 PRO HA 2 35 PRO QG 1.800 . 3.900 3.507 3.504 3.512 . 0 0 "[ . 1 .]" 4
199 2 6 LEU QD 2 35 PRO QD 1.800 . 6.000 2.431 1.900 3.116 . 0 0 "[ . 1 .]" 4
200 2 34 CYS HA 2 36 THR H 1.800 . 4.500 3.159 3.099 3.264 . 0 0 "[ . 1 .]" 4
201 2 36 THR H 2 36 THR HB 1.800 . 2.800 2.812 2.787 2.829 0.029 13 0 "[ . 1 .]" 4
202 2 36 THR H 2 36 THR MG 1.800 . 2.800 1.917 1.876 1.981 . 0 0 "[ . 1 .]" 4
203 2 35 PRO QD 2 36 THR H 1.800 . 4.000 2.555 2.473 2.629 . 0 0 "[ . 1 .]" 4
204 2 34 CYS HB3 2 36 THR H 1.800 . 4.500 4.199 3.798 4.383 . 0 0 "[ . 1 .]" 4
205 2 34 CYS HB2 2 36 THR H 1.800 . 5.300 4.998 4.910 5.072 . 0 0 "[ . 1 .]" 4
206 2 30 ALA MB 2 36 THR HA 1.800 . 3.500 2.856 2.771 2.955 . 0 0 "[ . 1 .]" 4
207 2 34 CYS HB3 2 36 THR HA 1.800 . 8.000 6.435 5.859 6.592 . 0 0 "[ . 1 .]" 4
208 2 30 ALA H 2 36 THR O 1.800 . 4.300 4.363 4.325 4.402 0.102 7 0 "[ . 1 .]" 4
209 2 36 THR HA 2 37 ALA H 1.800 . 2.800 2.433 2.388 2.480 . 0 0 "[ . 1 .]" 4
210 2 37 ALA H 2 37 ALA MB 1.800 . 2.800 2.143 2.073 2.289 . 0 0 "[ . 1 .]" 4
211 2 36 THR MG 2 37 ALA H 1.800 . 4.500 3.622 3.488 3.729 . 0 0 "[ . 1 .]" 4
212 2 37 ALA H 2 53 LEU QD 1.800 . 8.000 5.051 3.222 6.848 . 0 0 "[ . 1 .]" 4
213 2 36 THR HB 2 37 ALA H 1.800 . 4.300 3.961 3.875 4.050 . 0 0 "[ . 1 .]" 4
214 2 30 ALA MB 2 37 ALA HA 1.800 . 3.500 2.946 2.873 3.089 . 0 0 "[ . 1 .]" 4
215 2 29 LYS QG 2 37 ALA HA 1.800 . 4.500 3.822 3.589 4.035 . 0 0 "[ . 1 .]" 4
216 2 37 ALA HA 2 38 GLN H 1.800 . 2.800 2.247 2.217 2.346 . 0 0 "[ . 1 .]" 4
217 2 37 ALA MB 2 38 GLN H 1.800 . 3.500 3.137 2.924 3.186 . 0 0 "[ . 1 .]" 4
218 2 28 ILE MG 2 38 GLN H 1.800 . 6.000 4.441 3.765 5.434 . 0 0 "[ . 1 .]" 4
219 2 28 ILE H 2 38 GLN O 1.800 . 2.200 2.184 2.143 2.276 0.076 14 0 "[ . 1 .]" 4
220 2 28 ILE MD 2 38 GLN H 1.800 . 6.000 4.387 2.199 5.406 . 0 0 "[ . 1 .]" 4
221 2 28 ILE MG 2 38 GLN QE 1.800 . 3.500 3.083 2.862 3.259 . 0 0 "[ . 1 .]" 4
222 2 28 ILE MD 2 38 GLN QE 1.800 . 4.500 2.646 1.829 3.891 . 0 0 "[ . 1 .]" 4
223 2 28 ILE MD 2 38 GLN QG 1.800 . 6.000 3.632 2.429 4.722 . 0 0 "[ . 1 .]" 4
224 2 28 ILE MD 2 38 GLN QB 1.800 . 5.000 2.890 1.723 4.268 0.077 6 0 "[ . 1 .]" 4
225 2 38 GLN QG 2 40 ILE MD 1.800 . 4.500 3.245 2.918 3.862 . 0 0 "[ . 1 .]" 4
226 2 38 GLN QG 2 50 CYS HB3 1.800 . 6.300 5.603 5.401 5.752 . 0 0 "[ . 1 .]" 4
227 2 38 GLN QG 2 50 CYS HB2 1.800 . 5.500 4.444 4.237 4.632 . 0 0 "[ . 1 .]" 4
228 2 39 LEU H 2 51 LEU H 1.800 . 4.500 4.378 4.065 4.579 0.079 7 0 "[ . 1 .]" 4
229 2 38 GLN HA 2 39 LEU H 1.800 . 2.800 2.221 2.113 2.294 . 0 0 "[ . 1 .]" 4
230 2 39 LEU H 2 39 LEU QB 1.800 . 4.500 2.680 2.395 3.352 . 0 0 "[ . 1 .]" 4
231 2 39 LEU H 2 39 LEU HG 1.800 . 4.400 4.007 2.298 4.437 0.037 8 0 "[ . 1 .]" 4
232 2 39 LEU H 2 39 LEU QD 1.800 . 4.500 3.532 1.950 3.977 . 0 0 "[ . 1 .]" 4
233 2 39 LEU QB 2 58 TYR QD 1.800 . 6.500 5.237 4.864 5.607 . 0 0 "[ . 1 .]" 4
234 2 39 LEU O 2 51 LEU H 1.800 . 2.400 2.439 2.288 2.549 0.149 3 0 "[ . 1 .]" 4
235 2 27 VAL HA 2 39 LEU HA 1.800 . 2.600 2.468 1.906 2.698 0.098 11 0 "[ . 1 .]" 4
236 2 25 LEU QD 2 39 LEU QB 1.800 . 3.900 3.483 2.740 3.672 . 0 0 "[ . 1 .]" 4
237 2 27 VAL QG 2 39 LEU HG 1.800 . 4.100 3.559 3.438 3.837 . 0 0 "[ . 1 .]" 4
238 2 27 VAL HA 2 40 ILE H 1.800 . 4.500 3.409 2.970 3.640 . 0 0 "[ . 1 .]" 4
239 2 26 GLU QG 2 40 ILE H 1.800 . 4.500 3.773 2.216 4.168 . 0 0 "[ . 1 .]" 4
240 2 39 LEU HA 2 40 ILE H 1.800 . 2.800 2.217 2.175 2.259 . 0 0 "[ . 1 .]" 4
241 2 39 LEU QB 2 40 ILE H 1.800 . 4.100 3.594 2.884 3.775 . 0 0 "[ . 1 .]" 4
242 2 26 GLU H 2 40 ILE H 1.800 . 3.500 3.586 3.491 3.750 0.250 12 0 "[ . 1 .]" 4
243 2 40 ILE H 2 40 ILE HB 1.800 . 2.800 2.568 2.448 2.670 . 0 0 "[ . 1 .]" 4
244 2 40 ILE H 2 40 ILE QG 1.800 . 4.500 2.758 2.645 2.853 . 0 0 "[ . 1 .]" 4
245 2 40 ILE H 2 40 ILE MD 1.800 . 4.500 3.731 3.616 3.947 . 0 0 "[ . 1 .]" 4
246 2 40 ILE HA 2 50 CYS HA 1.800 . 2.200 2.128 1.985 2.223 0.023 10 0 "[ . 1 .]" 4
247 2 40 ILE HA 2 50 CYS HB3 1.800 . 4.500 3.006 2.925 3.156 . 0 0 "[ . 1 .]" 4
248 2 40 ILE HA 2 50 CYS HB2 1.800 . 6.000 2.124 1.873 2.370 . 0 0 "[ . 1 .]" 4
249 2 26 GLU H 2 40 ILE O 1.800 . 2.400 2.125 2.084 2.244 . 0 0 "[ . 1 .]" 4
250 2 40 ILE HA 2 41 ALA H 1.800 . 2.800 2.501 2.469 2.533 . 0 0 "[ . 1 .]" 4
251 2 41 ALA H 2 50 CYS HA 1.800 . 3.500 2.886 2.793 2.955 . 0 0 "[ . 1 .]" 4
252 2 41 ALA H 2 48 LYS HA 1.800 . 6.000 4.117 3.962 4.470 . 0 0 "[ . 1 .]" 4
253 2 41 ALA H 2 49 ILE H 1.800 . 3.500 3.206 3.140 3.272 . 0 0 "[ . 1 .]" 4
254 2 41 ALA H 2 41 ALA MB 1.800 . 2.800 2.594 2.556 2.621 . 0 0 "[ . 1 .]" 4
255 2 40 ILE MG 2 41 ALA H 1.800 . 2.800 1.788 1.767 1.810 0.033 7 0 "[ . 1 .]" 4
256 2 40 ILE HB 2 41 ALA H 1.800 . 4.500 3.579 3.505 3.672 . 0 0 "[ . 1 .]" 4
257 2 40 ILE MD 2 41 ALA H 1.800 . 3.500 3.197 3.061 3.292 . 0 0 "[ . 1 .]" 4
258 2 40 ILE QG 2 41 ALA H 1.800 . 4.900 4.299 4.270 4.315 . 0 0 "[ . 1 .]" 4
259 2 41 ALA H 2 49 ILE MG 1.800 . 6.000 5.442 4.939 5.570 . 0 0 "[ . 1 .]" 4
260 2 25 LEU HA 2 41 ALA HA 1.800 . 2.200 1.817 1.746 1.870 0.054 2 0 "[ . 1 .]" 4
261 2 41 ALA HA 2 42 THR MG 1.800 . 5.300 4.934 4.901 4.967 . 0 0 "[ . 1 .]" 4
262 2 25 LEU QD 2 41 ALA HA 1.800 . 3.500 3.085 2.947 3.150 . 0 0 "[ . 1 .]" 4
263 2 41 ALA O 2 49 ILE H 1.800 . 3.200 2.840 2.723 3.205 0.005 2 0 "[ . 1 .]" 4
264 2 25 LEU HA 2 42 THR H 1.800 . 3.000 2.921 2.823 3.061 0.061 2 0 "[ . 1 .]" 4
265 2 25 LEU QD 2 42 THR H 1.800 . 4.500 4.187 4.054 4.246 . 0 0 "[ . 1 .]" 4
266 2 42 THR H 2 42 THR HB 1.800 . 3.500 3.277 3.239 3.387 . 0 0 "[ . 1 .]" 4
267 2 41 ALA HA 2 42 THR H 1.800 . 2.800 2.522 2.452 2.653 . 0 0 "[ . 1 .]" 4
268 2 24 SER QB 2 42 THR H 1.800 . 6.000 5.022 4.707 5.343 . 0 0 "[ . 1 .]" 4
269 2 41 ALA MB 2 42 THR H 1.800 . 2.800 2.181 2.055 2.290 . 0 0 "[ . 1 .]" 4
270 2 42 THR H 2 42 THR MG 1.800 . 4.500 3.955 3.942 3.993 . 0 0 "[ . 1 .]" 4
271 2 42 THR H 2 48 LYS HA 1.800 . 7.000 4.502 4.402 4.568 . 0 0 "[ . 1 .]" 4
272 2 24 SER H 2 42 THR H 1.800 . 3.500 3.523 3.451 3.579 0.079 7 0 "[ . 1 .]" 4
273 2 42 THR HA 2 48 LYS HA 1.800 . 2.800 2.334 2.287 2.385 . 0 0 "[ . 1 .]" 4
274 2 42 THR HA 2 48 LYS QB 1.800 . 4.500 3.801 2.802 4.020 . 0 0 "[ . 1 .]" 4
275 2 42 THR HA 2 48 LYS QG 1.800 . 5.500 2.235 2.048 3.254 . 0 0 "[ . 1 .]" 4
276 2 42 THR HA 2 48 LYS QD 1.800 . 5.500 3.807 3.468 5.060 . 0 0 "[ . 1 .]" 4
277 2 42 THR HA 2 42 THR MG 1.800 . 3.000 2.091 2.037 2.125 . 0 0 "[ . 1 .]" 4
278 2 42 THR HA 2 43 LEU QB 1.800 . 5.000 4.028 3.972 4.102 . 0 0 "[ . 1 .]" 4
279 2 42 THR HA 2 43 LEU HG 1.800 . 6.000 5.444 5.105 5.910 . 0 0 "[ . 1 .]" 4
280 2 42 THR HA 2 43 LEU QD 1.800 . 8.000 4.145 3.084 4.783 . 0 0 "[ . 1 .]" 4
281 2 24 SER H 2 42 THR O 1.600 . 2.300 2.519 2.462 2.563 0.263 10 0 "[ . 1 .]" 4
282 2 23 THR H 2 42 THR O 1.600 . 2.200 2.186 2.135 2.258 0.058 7 0 "[ . 1 .]" 4
283 2 42 THR HA 2 43 LEU H 1.800 . 2.800 2.231 2.185 2.280 . 0 0 "[ . 1 .]" 4
284 2 42 THR HB 2 43 LEU H 1.800 . 6.000 3.583 3.512 3.654 . 0 0 "[ . 1 .]" 4
285 2 42 THR MG 2 43 LEU H 1.800 . 2.800 2.550 2.533 2.587 . 0 0 "[ . 1 .]" 4
286 2 42 THR H 2 43 LEU H 1.800 . 6.000 4.311 4.220 4.353 . 0 0 "[ . 1 .]" 4
287 2 43 LEU H 2 48 LYS HA 1.800 . 3.500 3.591 3.103 3.693 0.193 13 0 "[ . 1 .]" 4
288 2 43 LEU H 2 46 GLY HA3 1.800 . 8.000 5.516 5.410 5.646 . 0 0 "[ . 1 .]" 4
289 2 43 LEU H 2 46 GLY H 1.800 . 6.000 5.604 5.538 5.762 . 0 0 "[ . 1 .]" 4
290 2 43 LEU H 2 44 LYS H 1.800 . 4.500 4.481 4.429 4.534 0.034 15 0 "[ . 1 .]" 4
291 2 43 LEU H 2 47 ARG H 1.800 . 2.800 2.515 2.444 2.644 . 0 0 "[ . 1 .]" 4
292 2 43 LEU HA 2 43 LEU QD 1.800 . 3.500 2.498 1.768 2.874 0.032 3 0 "[ . 1 .]" 4
293 2 43 LEU HA 2 47 ARG QG 1.800 . 7.000 4.382 4.092 4.683 . 0 0 "[ . 1 .]" 4
294 2 43 LEU HA 2 48 LYS QG 1.800 . 7.400 6.282 6.165 6.703 . 0 0 "[ . 1 .]" 4
295 2 22 ILE MD 2 43 LEU HA 1.800 . 6.000 2.698 1.912 4.500 . 0 0 "[ . 1 .]" 4
296 2 22 ILE QG 2 43 LEU HA 1.800 . 3.500 3.065 2.760 3.281 . 0 0 "[ . 1 .]" 4
297 2 23 THR MG 2 43 LEU HA 1.800 . 5.000 2.953 2.725 3.258 . 0 0 "[ . 1 .]" 4
298 2 22 ILE HA 2 43 LEU HA 1.800 . 5.000 2.031 1.911 2.282 . 0 0 "[ . 1 .]" 4
299 2 43 LEU O 2 47 ARG H 1.800 . 3.600 3.667 3.615 3.731 0.131 3 0 "[ . 1 .]" 4
300 2 43 LEU O 2 46 GLY H 1.800 . 3.600 4.053 3.957 4.103 0.503 4 2 "[ - +. 1 .]" 4
301 2 43 LEU QD 2 47 ARG QG 1.800 . 5.500 2.687 2.373 3.164 . 0 0 "[ . 1 .]" 4
302 2 43 LEU HA 2 44 LYS H 1.800 . 2.800 2.691 2.660 2.719 . 0 0 "[ . 1 .]" 4
303 2 43 LEU QB 2 44 LYS H 1.800 . 6.000 2.064 1.898 2.413 . 0 0 "[ . 1 .]" 4
304 2 43 LEU HG 2 44 LYS H 1.800 . 3.900 3.483 2.749 3.990 0.090 7 0 "[ . 1 .]" 4
305 2 43 LEU QD 2 44 LYS H 1.800 . 6.000 2.070 1.857 2.756 . 0 0 "[ . 1 .]" 4
306 2 21 HIS HA 2 44 LYS H 1.800 . 6.000 5.189 4.724 5.779 . 0 0 "[ . 1 .]" 4
307 2 21 HIS HB3 2 44 LYS H 1.800 . 6.000 4.523 3.652 5.801 . 0 0 "[ . 1 .]" 4
308 2 21 HIS HB2 2 44 LYS H 1.800 . 4.500 3.376 2.877 4.495 . 0 0 "[ . 1 .]" 4
309 2 44 LYS HA 2 45 ASN H 1.800 . 3.500 3.516 3.476 3.554 0.054 2 0 "[ . 1 .]" 4
310 2 45 ASN H 2 46 GLY H 1.800 . 4.500 4.005 3.911 4.083 . 0 0 "[ . 1 .]" 4
311 2 46 GLY H 2 47 ARG H 1.800 . 3.900 3.911 3.891 3.926 0.026 12 0 "[ . 1 .]" 4
312 2 45 ASN HA 2 46 GLY H 1.800 . 4.500 2.247 2.230 2.260 . 0 0 "[ . 1 .]" 4
313 2 44 LYS HA 2 46 GLY H 1.800 . 6.000 4.525 4.410 4.635 . 0 0 "[ . 1 .]" 4
314 2 43 LEU QB 2 46 GLY H 1.800 . 8.000 4.998 4.861 5.068 . 0 0 "[ . 1 .]" 4
315 2 42 THR MG 2 46 GLY HA3 1.800 . 4.500 4.117 4.086 4.177 . 0 0 "[ . 1 .]" 4
316 2 42 THR MG 2 46 GLY HA2 1.800 . 3.500 2.941 2.887 2.997 . 0 0 "[ . 1 .]" 4
317 2 46 GLY HA3 2 47 ARG H 1.800 . 3.500 3.446 3.420 3.461 . 0 0 "[ . 1 .]" 4
318 2 42 THR HA 2 47 ARG H 1.800 . 8.000 3.886 3.823 4.111 . 0 0 "[ . 1 .]" 4
319 2 47 ARG H 2 47 ARG QD 1.800 . 8.000 3.712 3.504 4.016 . 0 0 "[ . 1 .]" 4
320 2 47 ARG H 2 47 ARG QB 1.800 . 3.500 3.096 3.072 3.134 . 0 0 "[ . 1 .]" 4
321 2 47 ARG H 2 47 ARG QG 1.800 . 3.200 2.046 1.934 2.241 . 0 0 "[ . 1 .]" 4
322 2 47 ARG H 2 48 LYS H 1.800 . 4.500 4.377 4.265 4.414 . 0 0 "[ . 1 .]" 4
323 2 43 LEU QD 2 47 ARG H 1.800 . 6.000 4.441 4.171 4.582 . 0 0 "[ . 1 .]" 4
324 2 43 LEU QB 2 47 ARG H 1.800 . 3.500 3.205 3.085 3.260 . 0 0 "[ . 1 .]" 4
325 2 45 ASN HB2 2 47 ARG H 1.800 . 5.000 4.439 4.405 4.476 . 0 0 "[ . 1 .]" 4
326 2 43 LEU H 2 47 ARG O 1.600 . 2.400 2.426 2.332 2.464 0.064 4 0 "[ . 1 .]" 4
327 2 42 THR HA 2 48 LYS H 1.800 . 6.000 4.742 4.690 4.786 . 0 0 "[ . 1 .]" 4
328 2 47 ARG QB 2 48 LYS H 1.800 . 4.500 2.287 2.096 2.470 . 0 0 "[ . 1 .]" 4
329 2 47 ARG HA 2 48 LYS H 1.800 . 2.800 2.700 2.614 2.870 0.070 15 0 "[ . 1 .]" 4
330 2 47 ARG QG 2 48 LYS H 1.800 . 3.900 3.066 2.732 3.154 . 0 0 "[ . 1 .]" 4
331 2 45 ASN HB2 2 48 LYS H 1.800 . 7.300 7.081 6.800 7.237 . 0 0 "[ . 1 .]" 4
332 2 48 LYS H 2 49 ILE H 1.800 . 4.500 4.137 4.100 4.177 . 0 0 "[ . 1 .]" 4
333 2 48 LYS H 2 48 LYS QG 1.800 . 4.900 3.840 3.587 4.188 . 0 0 "[ . 1 .]" 4
334 2 48 LYS H 2 48 LYS QD 1.800 . 4.300 3.223 2.834 3.932 . 0 0 "[ . 1 .]" 4
335 2 48 LYS HA 2 48 LYS QG 1.800 . 2.800 2.118 2.039 2.331 . 0 0 "[ . 1 .]" 4
336 2 48 LYS HA 2 48 LYS QD 1.800 . 4.000 3.421 3.314 3.567 . 0 0 "[ . 1 .]" 4
337 2 48 LYS HA 2 48 LYS QE 1.800 . 6.000 4.619 4.268 4.934 . 0 0 "[ . 1 .]" 4
338 2 41 ALA MB 2 48 LYS HA 1.800 . 6.000 4.079 3.951 4.170 . 0 0 "[ . 1 .]" 4
339 2 42 THR MG 2 48 LYS HA 1.800 . 5.300 3.390 3.308 3.500 . 0 0 "[ . 1 .]" 4
340 2 48 LYS HA 2 49 ILE QG 1.800 . 4.500 3.377 3.156 4.092 . 0 0 "[ . 1 .]" 4
341 2 48 LYS HA 2 49 ILE MG 1.800 . 4.500 3.958 3.254 4.070 . 0 0 "[ . 1 .]" 4
342 2 48 LYS HA 2 49 ILE MD 1.800 . 3.900 3.383 3.340 3.440 . 0 0 "[ . 1 .]" 4
343 2 48 LYS QG 2 49 ILE H 1.800 . 4.500 3.469 1.850 3.858 . 0 0 "[ . 1 .]" 4
344 2 48 LYS HA 2 49 ILE H 1.800 . 2.800 2.013 2.001 2.044 . 0 0 "[ . 1 .]" 4
345 2 48 LYS QB 2 49 ILE H 1.800 . 3.900 3.213 3.121 3.437 . 0 0 "[ . 1 .]" 4
346 2 42 THR HA 2 49 ILE H 1.800 . 3.500 3.652 3.591 3.721 0.221 10 0 "[ . 1 .]" 4
347 2 40 ILE HA 2 49 ILE H 1.800 . 8.000 5.303 5.229 5.391 . 0 0 "[ . 1 .]" 4
348 2 49 ILE H 2 49 ILE HB 1.800 . 3.500 3.652 3.627 3.721 0.221 2 0 "[ . 1 .]" 4
349 2 49 ILE H 2 49 ILE QG 1.800 . 4.500 2.086 2.006 2.272 . 0 0 "[ . 1 .]" 4
350 2 49 ILE H 2 49 ILE MG 1.800 . 3.500 3.032 2.282 3.167 . 0 0 "[ . 1 .]" 4
351 2 49 ILE H 2 49 ILE MD 1.800 . 4.500 1.833 1.772 2.334 0.028 1 0 "[ . 1 .]" 4
352 2 41 ALA MB 2 49 ILE H 1.800 . 4.500 3.198 2.999 3.295 . 0 0 "[ . 1 .]" 4
353 2 41 ALA H 2 49 ILE O 1.600 . 2.200 2.212 2.154 2.317 0.117 7 0 "[ . 1 .]" 4
354 2 49 ILE MD 2 51 LEU HG 1.800 . 2.800 2.660 2.580 2.943 0.143 7 0 "[ . 1 .]" 4
355 2 43 LEU QD 2 49 ILE QG 1.800 . 3.700 2.542 2.149 3.470 . 0 0 "[ . 1 .]" 4
356 2 49 ILE HA 2 50 CYS H 1.800 . 3.600 3.094 2.974 3.194 . 0 0 "[ . 1 .]" 4
357 2 49 ILE HB 2 50 CYS H 1.800 . 3.500 1.801 1.758 2.027 0.042 1 0 "[ . 1 .]" 4
358 2 49 ILE MD 2 50 CYS H 1.800 . 6.000 2.284 2.002 3.655 . 0 0 "[ . 1 .]" 4
359 2 14 THR MG 2 50 CYS H 1.800 . 6.000 3.087 2.830 3.335 . 0 0 "[ . 1 .]" 4
360 2 15 SER HA 2 50 CYS H 1.800 . 6.000 5.520 5.393 5.690 . 0 0 "[ . 1 .]" 4
361 2 50 CYS H 2 50 CYS HB3 1.800 . 3.500 3.231 3.181 3.290 . 0 0 "[ . 1 .]" 4
362 2 50 CYS H 2 50 CYS HB2 1.800 . 4.000 4.087 4.061 4.112 0.112 12 0 "[ . 1 .]" 4
363 2 50 CYS HA 2 50 CYS HB3 1.800 . 2.800 2.669 2.601 2.738 . 0 0 "[ . 1 .]" 4
364 2 50 CYS HA 2 51 LEU QB 1.800 . 4.500 4.122 4.107 4.149 . 0 0 "[ . 1 .]" 4
365 2 50 CYS HA 2 51 LEU HG 1.800 . 4.500 3.454 3.319 3.840 . 0 0 "[ . 1 .]" 4
366 2 39 LEU QB 2 50 CYS HA 1.800 . 5.300 4.783 4.729 4.896 . 0 0 "[ . 1 .]" 4
367 2 39 LEU HG 2 50 CYS HA 1.800 . 4.500 4.613 4.498 4.678 0.178 6 0 "[ . 1 .]" 4
368 2 39 LEU QD 2 50 CYS HA 1.800 . 6.000 3.956 3.458 4.663 . 0 0 "[ . 1 .]" 4
369 2 40 ILE MG 2 50 CYS HA 1.800 . 5.900 3.366 3.160 3.557 . 0 0 "[ . 1 .]" 4
370 2 40 ILE MD 2 50 CYS HA 1.800 . 6.000 3.006 2.874 3.117 . 0 0 "[ . 1 .]" 4
371 2 10 CYS HB3 2 50 CYS HA 1.800 . 8.000 5.759 5.471 6.210 . 0 0 "[ . 1 .]" 4
372 2 10 CYS HB3 2 50 CYS HB3 1.800 . 6.000 4.214 3.559 4.695 . 0 0 "[ . 1 .]" 4
373 2 10 CYS HB2 2 50 CYS HB3 1.800 . 6.000 3.269 2.782 4.069 . 0 0 "[ . 1 .]" 4
374 2 40 ILE MG 2 50 CYS HB3 1.800 . 3.500 3.084 2.908 3.231 . 0 0 "[ . 1 .]" 4
375 2 10 CYS HB3 2 50 CYS HB2 1.800 . 4.300 3.563 3.263 4.256 . 0 0 "[ . 1 .]" 4
376 2 10 CYS HB2 2 50 CYS HB2 1.800 . 3.500 3.104 2.699 3.699 0.199 14 0 "[ . 1 .]" 4
377 2 40 ILE MG 2 50 CYS HB2 1.800 . 3.500 3.381 3.302 3.499 . 0 0 "[ . 1 .]" 4
378 2 51 LEU H 2 51 LEU MD1 1.800 . 5.000 4.102 4.047 4.266 . 0 0 "[ . 1 .]" 4
379 2 51 LEU H 2 51 LEU MD2 1.800 . 5.000 3.726 3.472 3.820 . 0 0 "[ . 1 .]" 4
380 2 51 LEU H 2 51 LEU QB 1.800 . 2.800 2.493 2.421 2.526 . 0 0 "[ . 1 .]" 4
381 2 39 LEU QD 2 51 LEU H 1.800 . 4.500 2.484 2.055 3.142 . 0 0 "[ . 1 .]" 4
382 2 39 LEU HG 2 51 LEU H 1.800 . 4.500 3.572 2.789 3.916 . 0 0 "[ . 1 .]" 4
383 2 39 LEU QB 2 51 LEU H 1.800 . 6.000 3.254 3.061 3.851 . 0 0 "[ . 1 .]" 4
384 2 50 CYS HA 2 51 LEU H 1.800 . 2.800 2.189 2.082 2.257 . 0 0 "[ . 1 .]" 4
385 2 50 CYS HB3 2 51 LEU H 1.800 . 4.000 4.245 4.192 4.379 0.379 7 0 "[ . 1 .]" 4
386 2 50 CYS HB2 2 51 LEU H 1.800 . 6.000 3.147 3.056 3.427 . 0 0 "[ . 1 .]" 4
387 2 40 ILE HA 2 51 LEU H 1.800 . 4.500 3.332 3.120 3.546 . 0 0 "[ . 1 .]" 4
388 2 13 THR HA 2 51 LEU H 1.800 . 8.000 5.380 5.117 5.700 . 0 0 "[ . 1 .]" 4
389 2 13 THR HA 2 51 LEU HA 1.800 . 4.500 3.842 3.632 4.107 . 0 0 "[ . 1 .]" 4
390 2 51 LEU HA 2 52 ASP HB3 1.800 . 5.600 5.066 4.489 5.766 0.166 9 0 "[ . 1 .]" 4
391 2 51 LEU HA 2 52 ASP HB2 1.800 . 6.000 5.242 4.240 5.897 . 0 0 "[ . 1 .]" 4
392 2 51 LEU HA 2 51 LEU MD1 1.800 . 4.000 3.709 3.626 3.734 . 0 0 "[ . 1 .]" 4
393 2 51 LEU HA 2 51 LEU MD2 1.800 . 4.000 1.896 1.842 1.967 . 0 0 "[ . 1 .]" 4
394 2 13 THR MG 2 51 LEU HA 1.800 . 4.500 1.975 1.879 2.357 . 0 0 "[ . 1 .]" 4
395 2 13 THR HB 2 51 LEU HA 1.800 . 4.500 4.227 4.141 4.373 . 0 0 "[ . 1 .]" 4
396 2 39 LEU H 2 51 LEU O 1.800 . 4.000 3.377 2.858 3.766 . 0 0 "[ . 1 .]" 4
397 2 51 LEU MD2 2 57 LEU MD2 1.800 . 3.800 2.295 1.878 2.945 . 0 0 "[ . 1 .]" 4
398 2 51 LEU QB 2 57 LEU QB 1.800 . 6.000 4.200 3.801 4.968 . 0 0 "[ . 1 .]" 4
399 2 51 LEU HA 2 52 ASP H 1.800 . 2.800 2.640 2.525 2.878 0.078 3 0 "[ . 1 .]" 4
400 2 52 ASP H 2 52 ASP HB3 1.800 . 3.500 3.131 2.847 3.424 . 0 0 "[ . 1 .]" 4
401 2 13 THR MG 2 52 ASP HB3 1.800 . 3.500 2.332 1.763 3.181 0.037 3 0 "[ . 1 .]" 4
402 2 13 THR MG 2 52 ASP HB2 1.800 . 3.500 2.600 1.771 3.160 0.029 2 0 "[ . 1 .]" 4
403 2 52 ASP HB2 2 56 PRO HB3 1.800 . 10.200 10.185 10.063 10.293 0.093 11 0 "[ . 1 .]" 4
404 2 52 ASP HB3 2 54 GLN QB 1.800 . 6.000 4.668 3.795 5.361 . 0 0 "[ . 1 .]" 4
405 2 52 ASP HB2 2 54 GLN QB 1.800 . 6.000 4.392 3.594 5.386 . 0 0 "[ . 1 .]" 4
406 2 52 ASP HB3 2 53 LEU H 1.800 . 4.500 3.016 2.045 3.725 . 0 0 "[ . 1 .]" 4
407 2 52 ASP HB2 2 53 LEU H 1.800 . 3.500 2.749 1.955 3.767 0.267 15 0 "[ . 1 .]" 4
408 2 55 ALA H 2 58 TYR QD 1.800 . 4.300 3.070 2.573 3.496 . 0 0 "[ . 1 .]" 4
409 2 55 ALA H 2 58 TYR QE 1.800 . 4.000 3.022 2.476 3.580 . 0 0 "[ . 1 .]" 4
410 2 56 PRO HA 2 59 LYS QB 1.800 . 6.000 2.125 1.903 3.446 . 0 0 "[ . 1 .]" 4
411 2 56 PRO O 2 60 LYS H 1.800 . 3.500 2.618 2.378 3.016 . 0 0 "[ . 1 .]" 4
412 2 56 PRO HB3 2 59 LYS QG 1.800 . 6.500 4.391 2.639 5.878 . 0 0 "[ . 1 .]" 4
413 2 56 PRO HB2 2 59 LYS QG 1.800 . 6.500 4.791 2.742 5.933 . 0 0 "[ . 1 .]" 4
414 2 56 PRO HA 2 57 LEU H 1.800 . 4.200 3.378 3.325 3.625 . 0 0 "[ . 1 .]" 4
415 2 57 LEU HA 2 60 LYS QB 1.800 . 3.500 3.187 3.136 3.224 . 0 0 "[ . 1 .]" 4
416 2 57 LEU H 2 59 LYS H 1.800 . 6.000 3.643 3.510 4.027 . 0 0 "[ . 1 .]" 4
417 2 57 LEU O 2 61 ILE H 1.800 . 2.800 2.828 2.730 2.887 0.087 9 0 "[ . 1 .]" 4
418 2 51 LEU QB 2 57 LEU HG 1.800 . 4.500 3.999 3.798 4.032 . 0 0 "[ . 1 .]" 4
419 2 19 PRO QG 2 57 LEU MD2 1.800 . 6.500 4.314 3.359 5.496 . 0 0 "[ . 1 .]" 4
420 2 19 PRO QB 2 57 LEU MD1 1.800 . 4.500 3.845 3.613 4.066 . 0 0 "[ . 1 .]" 4
421 2 19 PRO QG 2 57 LEU MD1 1.800 . 5.000 2.432 2.033 3.524 . 0 0 "[ . 1 .]" 4
422 2 57 LEU HA 2 58 TYR H 1.800 . 4.500 3.589 3.574 3.600 . 0 0 "[ . 1 .]" 4
423 2 57 LEU H 2 58 TYR H 1.800 . 2.800 2.791 2.589 2.923 0.123 3 0 "[ . 1 .]" 4
424 2 58 TYR H 2 58 TYR HB2 1.800 . 3.400 3.558 3.542 3.609 0.209 9 0 "[ . 1 .]" 4
425 2 58 TYR H 2 60 LYS H 1.800 . 6.000 4.102 3.971 4.202 . 0 0 "[ . 1 .]" 4
426 2 58 TYR HA 2 61 ILE HB 1.800 . 2.800 2.569 2.293 2.659 . 0 0 "[ . 1 .]" 4
427 2 58 TYR HA 2 61 ILE MD 1.800 . 4.500 2.120 1.890 2.317 . 0 0 "[ . 1 .]" 4
428 2 58 TYR HA 2 61 ILE H 1.800 . 4.500 2.942 2.844 3.031 . 0 0 "[ . 1 .]" 4
429 2 58 TYR QD 2 61 ILE QG 1.800 . 6.000 5.379 5.364 5.413 . 0 0 "[ . 1 .]" 4
430 2 58 TYR QD 2 61 ILE MG 1.800 . 4.500 4.107 4.093 4.137 . 0 0 "[ . 1 .]" 4
431 2 58 TYR QD 2 61 ILE MD 1.800 . 4.500 4.016 3.972 4.034 . 0 0 "[ . 1 .]" 4
432 2 58 TYR HA 2 58 TYR QD 1.800 . 4.300 3.671 3.644 3.681 . 0 0 "[ . 1 .]" 4
433 2 57 LEU HA 2 58 TYR QD 1.800 . 6.000 5.427 5.400 5.475 . 0 0 "[ . 1 .]" 4
434 2 58 TYR HB2 2 58 TYR QD 1.800 . 2.800 2.332 2.322 2.353 . 0 0 "[ . 1 .]" 4
435 2 58 TYR O 2 62 ILE H 1.800 . 2.800 2.090 2.069 2.110 . 0 0 "[ . 1 .]" 4
436 2 27 VAL QG 2 58 TYR QD 1.800 . 8.500 4.226 3.824 4.533 . 0 0 "[ . 1 .]" 4
437 2 39 LEU QD 2 58 TYR QD 1.800 . 7.000 3.167 2.693 3.525 . 0 0 "[ . 1 .]" 4
438 2 39 LEU QD 2 58 TYR HB3 1.800 . 3.800 3.304 2.809 3.438 . 0 0 "[ . 1 .]" 4
439 2 39 LEU QD 2 58 TYR HB2 1.800 . 3.800 2.887 2.426 3.314 . 0 0 "[ . 1 .]" 4
440 2 51 LEU QB 2 58 TYR HB3 1.800 . 5.500 2.923 2.457 3.445 . 0 0 "[ . 1 .]" 4
441 2 51 LEU QB 2 58 TYR HB2 1.800 . 5.500 3.389 3.059 3.786 . 0 0 "[ . 1 .]" 4
442 2 58 TYR HA 2 59 LYS H 1.800 . 4.500 3.461 3.446 3.478 . 0 0 "[ . 1 .]" 4
443 2 56 PRO QD 2 59 LYS H 1.800 . 6.000 5.326 4.700 5.391 . 0 0 "[ . 1 .]" 4
444 2 58 TYR H 2 59 LYS H 1.800 . 2.800 2.536 2.402 2.590 . 0 0 "[ . 1 .]" 4
445 2 59 LYS H 2 61 ILE H 1.800 . 5.000 3.877 3.757 3.949 . 0 0 "[ . 1 .]" 4
446 2 59 LYS H 2 59 LYS QB 1.800 . 3.500 2.237 2.085 2.446 . 0 0 "[ . 1 .]" 4
447 2 59 LYS H 2 59 LYS QG 1.800 . 4.500 3.191 2.317 4.062 . 0 0 "[ . 1 .]" 4
448 2 59 LYS H 2 62 ILE H 1.800 . 4.800 4.946 4.809 5.004 0.204 1 0 "[ . 1 .]" 4
449 2 59 LYS HA 2 62 ILE HB 1.800 . 2.800 2.887 2.850 2.960 0.160 7 0 "[ . 1 .]" 4
450 2 59 LYS HA 2 62 ILE MD 1.800 . 4.500 2.869 2.382 3.180 . 0 0 "[ . 1 .]" 4
451 2 59 LYS HA 2 63 LYS H 1.800 . 3.800 3.691 3.609 3.813 0.013 15 0 "[ . 1 .]" 4
452 2 59 LYS HA 2 60 LYS H 1.800 . 4.500 3.460 3.441 3.487 . 0 0 "[ . 1 .]" 4
453 2 59 LYS H 2 60 LYS H 1.800 . 2.800 2.500 2.443 2.535 . 0 0 "[ . 1 .]" 4
454 2 60 LYS H 2 62 ILE H 1.800 . 6.000 4.290 3.963 4.403 . 0 0 "[ . 1 .]" 4
455 2 56 PRO QD 2 60 LYS H 1.800 . 8.000 6.583 6.373 6.654 . 0 0 "[ . 1 .]" 4
456 2 60 LYS H 2 60 LYS QB 1.800 . 3.500 2.143 2.106 2.357 . 0 0 "[ . 1 .]" 4
457 2 60 LYS H 2 60 LYS QG 1.800 . 3.500 3.090 2.544 3.202 . 0 0 "[ . 1 .]" 4
458 2 60 LYS H 2 60 LYS QD 1.800 . 6.000 4.239 3.383 4.554 . 0 0 "[ . 1 .]" 4
459 2 60 LYS HA 2 63 LYS H 1.800 . 3.500 3.568 3.419 3.638 0.138 2 0 "[ . 1 .]" 4
460 2 60 LYS HA 2 63 LYS QB 1.800 . 2.800 2.396 2.221 2.597 . 0 0 "[ . 1 .]" 4
461 2 60 LYS HA 2 60 LYS QG 1.800 . 4.500 2.389 2.072 3.411 . 0 0 "[ . 1 .]" 4
462 2 60 LYS O 2 64 LYS H 1.800 . 2.800 2.174 2.150 2.186 . 0 0 "[ . 1 .]" 4
463 2 60 LYS HA 2 61 ILE H 1.800 . 3.500 3.470 3.442 3.485 . 0 0 "[ . 1 .]" 4
464 2 58 TYR HB2 2 61 ILE H 1.800 . 6.000 4.694 4.636 4.773 . 0 0 "[ . 1 .]" 4
465 2 60 LYS H 2 61 ILE H 1.800 . 2.800 2.297 2.230 2.374 . 0 0 "[ . 1 .]" 4
466 2 61 ILE H 2 63 LYS H 1.800 . 6.000 3.823 3.638 3.997 . 0 0 "[ . 1 .]" 4
467 2 61 ILE H 2 61 ILE HB 1.800 . 2.800 2.267 2.242 2.287 . 0 0 "[ . 1 .]" 4
468 2 61 ILE H 2 61 ILE MG 1.800 . 4.500 3.701 3.687 3.711 . 0 0 "[ . 1 .]" 4
469 2 61 ILE H 2 61 ILE MD 1.800 . 6.000 3.540 3.467 3.610 . 0 0 "[ . 1 .]" 4
470 2 61 ILE H 2 61 ILE QG 1.800 . 4.500 2.486 2.436 2.572 . 0 0 "[ . 1 .]" 4
471 2 61 ILE O 2 65 LEU H 1.800 . 2.800 2.212 2.167 2.344 . 0 0 "[ . 1 .]" 4
472 2 61 ILE HA 2 64 LYS QB 1.800 . 2.800 2.526 2.489 2.579 . 0 0 "[ . 1 .]" 4
473 2 61 ILE HA 2 61 ILE MG 1.800 . 4.500 2.532 2.516 2.556 . 0 0 "[ . 1 .]" 4
474 2 61 ILE HA 2 61 ILE MD 1.800 . 6.000 3.800 3.790 3.811 . 0 0 "[ . 1 .]" 4
475 2 61 ILE HA 2 61 ILE QG 1.800 . 4.500 2.327 2.315 2.343 . 0 0 "[ . 1 .]" 4
476 2 61 ILE HA 2 65 LEU QD 1.800 . 6.000 4.067 3.261 5.418 . 0 0 "[ . 1 .]" 4
477 2 61 ILE HA 2 63 LYS H 1.800 . 6.000 4.514 4.323 4.841 . 0 0 "[ . 1 .]" 4
478 2 61 ILE HA 2 64 LYS H 1.800 . 4.000 3.451 3.367 3.650 . 0 0 "[ . 1 .]" 4
479 2 61 ILE HA 2 62 ILE H 1.800 . 4.500 3.583 3.539 3.593 . 0 0 "[ . 1 .]" 4
480 2 51 LEU MD1 2 61 ILE MD 1.800 . 4.000 1.749 1.627 1.892 0.173 3 0 "[ . 1 .]" 4
481 2 25 LEU QD 2 61 ILE MD 1.800 . 6.500 2.604 2.365 3.003 . 0 0 "[ . 1 .]" 4
482 2 19 PRO QB 2 61 ILE MD 1.800 . 4.000 2.899 2.352 3.335 . 0 0 "[ . 1 .]" 4
483 2 62 ILE H 2 63 LYS H 1.800 . 2.800 2.689 2.461 2.777 . 0 0 "[ . 1 .]" 4
484 2 59 LYS HA 2 62 ILE H 1.800 . 4.500 3.358 3.270 3.450 . 0 0 "[ . 1 .]" 4
485 2 62 ILE H 2 64 LYS H 1.800 . 6.000 3.984 3.620 4.192 . 0 0 "[ . 1 .]" 4
486 2 60 LYS HA 2 62 ILE H 1.800 . 6.000 4.828 4.294 5.011 . 0 0 "[ . 1 .]" 4
487 2 62 ILE H 2 62 ILE HB 1.800 . 3.500 2.479 2.396 2.525 . 0 0 "[ . 1 .]" 4
488 2 62 ILE H 2 62 ILE MG 1.800 . 4.500 3.760 3.750 3.766 . 0 0 "[ . 1 .]" 4
489 2 62 ILE H 2 62 ILE MD 1.800 . 4.500 3.314 2.692 3.601 . 0 0 "[ . 1 .]" 4
490 2 62 ILE HA 2 65 LEU H 1.800 . 4.000 3.178 3.115 3.260 . 0 0 "[ . 1 .]" 4
491 2 62 ILE HA 2 65 LEU HG 1.800 . 3.500 3.543 3.410 3.776 0.276 7 0 "[ . 1 .]" 4
492 2 62 ILE HA 2 65 LEU QB 1.800 . 2.800 2.381 2.056 2.540 . 0 0 "[ . 1 .]" 4
493 2 62 ILE HA 2 65 LEU QD 1.800 . 3.500 2.591 1.917 3.070 . 0 0 "[ . 1 .]" 4
494 2 62 ILE HA 2 66 LEU MD1 1.800 . 6.000 3.823 3.611 3.979 . 0 0 "[ . 1 .]" 4
495 2 62 ILE HA 2 62 ILE MG 1.800 . 3.500 2.370 2.324 2.445 . 0 0 "[ . 1 .]" 4
496 2 62 ILE HA 2 62 ILE MD 1.800 . 4.500 3.828 3.805 3.844 . 0 0 "[ . 1 .]" 4
497 2 62 ILE O 2 66 LEU H 1.800 . 2.800 2.164 2.128 2.182 . 0 0 "[ . 1 .]" 4
498 2 25 LEU QD 2 62 ILE QG 1.800 . 3.800 3.379 3.205 3.524 . 0 0 "[ . 1 .]" 4
499 2 63 LYS H 2 64 LYS H 1.800 . 2.800 2.600 2.562 2.627 . 0 0 "[ . 1 .]" 4
500 2 63 LYS H 2 65 LEU H 1.800 . 4.500 3.902 3.736 3.973 . 0 0 "[ . 1 .]" 4
501 2 63 LYS H 2 63 LYS QB 1.800 . 3.500 2.184 2.088 2.283 . 0 0 "[ . 1 .]" 4
502 2 63 LYS H 2 63 LYS QG 1.800 . 3.500 2.897 2.609 3.165 . 0 0 "[ . 1 .]" 4
503 2 63 LYS HA 2 66 LEU H 1.800 . 3.500 3.234 3.184 3.310 . 0 0 "[ . 1 .]" 4
504 2 63 LYS HA 2 66 LEU MD1 1.800 . 4.000 1.879 1.773 1.913 0.027 12 0 "[ . 1 .]" 4
505 2 63 LYS HA 2 66 LEU MD2 1.800 . 6.000 4.443 4.251 4.592 . 0 0 "[ . 1 .]" 4
506 2 63 LYS HA 2 66 LEU QB 1.800 . 2.800 2.568 2.543 2.622 . 0 0 "[ . 1 .]" 4
507 2 63 LYS O 2 67 GLU H 1.800 . 2.800 2.157 2.108 2.188 . 0 0 "[ . 1 .]" 4
508 2 63 LYS HA 2 64 LYS H 1.800 . 4.500 3.515 3.491 3.551 . 0 0 "[ . 1 .]" 4
509 2 62 ILE HA 2 64 LYS H 1.800 . 4.500 4.144 3.987 4.454 . 0 0 "[ . 1 .]" 4
510 2 60 LYS HA 2 64 LYS H 1.800 . 4.500 3.949 3.654 4.106 . 0 0 "[ . 1 .]" 4
511 2 61 ILE H 2 64 LYS H 1.800 . 4.500 4.415 4.322 4.483 . 0 0 "[ . 1 .]" 4
512 2 64 LYS H 2 66 LEU H 1.800 . 6.000 3.931 3.799 4.163 . 0 0 "[ . 1 .]" 4
513 2 64 LYS H 2 64 LYS QB 1.800 . 3.500 2.171 2.076 2.284 . 0 0 "[ . 1 .]" 4
514 2 63 LYS QB 2 64 LYS H 1.800 . 3.500 2.887 2.665 3.268 . 0 0 "[ . 1 .]" 4
515 2 64 LYS HA 2 67 GLU H 1.800 . 4.000 3.517 3.449 3.602 . 0 0 "[ . 1 .]" 4
516 2 64 LYS HA 2 67 GLU QB 1.800 . 3.600 3.239 3.209 3.440 . 0 0 "[ . 1 .]" 4
517 2 64 LYS HA 2 67 GLU QG 1.800 . 4.500 2.048 1.794 2.303 0.006 15 0 "[ . 1 .]" 4
518 2 64 LYS H 2 65 LEU H 1.800 . 2.800 2.463 2.351 2.609 . 0 0 "[ . 1 .]" 4
519 2 65 LEU H 2 67 GLU H 1.800 . 6.000 4.032 3.777 4.139 . 0 0 "[ . 1 .]" 4
520 2 65 LEU H 2 66 LEU H 1.800 . 2.800 2.348 2.250 2.404 . 0 0 "[ . 1 .]" 4
521 2 64 LYS HA 2 65 LEU H 1.800 . 4.500 3.474 3.421 3.492 . 0 0 "[ . 1 .]" 4
522 2 64 LYS QB 2 65 LEU H 1.800 . 3.500 2.946 2.807 3.078 . 0 0 "[ . 1 .]" 4
523 2 61 ILE HA 2 65 LEU H 1.800 . 8.000 4.512 4.242 4.660 . 0 0 "[ . 1 .]" 4
524 2 65 LEU H 2 65 LEU QB 1.800 . 2.800 2.238 2.000 2.413 . 0 0 "[ . 1 .]" 4
525 2 65 LEU H 2 65 LEU QD 1.800 . 4.500 2.936 2.328 3.718 . 0 0 "[ . 1 .]" 4
526 2 65 LEU HA 2 67 GLU QG 1.800 . 4.500 3.808 3.672 4.233 . 0 0 "[ . 1 .]" 4
527 2 65 LEU HA 2 65 LEU QD 1.800 . 4.500 2.025 1.762 2.504 0.038 4 0 "[ . 1 .]" 4
528 2 25 LEU QD 2 65 LEU QD 1.800 . 4.500 3.557 2.882 4.120 . 0 0 "[ . 1 .]" 4
529 2 22 ILE MG 2 65 LEU QD 1.800 . 4.500 3.109 2.494 4.049 . 0 0 "[ . 1 .]" 4
530 2 65 LEU HA 2 66 LEU H 1.800 . 4.500 3.476 3.456 3.497 . 0 0 "[ . 1 .]" 4
531 2 65 LEU QB 2 66 LEU H 1.800 . 3.500 2.934 2.804 3.203 . 0 0 "[ . 1 .]" 4
532 2 66 LEU H 2 67 GLU H 1.800 . 2.800 2.411 2.309 2.515 . 0 0 "[ . 1 .]" 4
533 2 66 LEU H 2 67 GLU QG 1.800 . 6.000 3.747 3.304 3.921 . 0 0 "[ . 1 .]" 4
534 2 66 LEU H 2 66 LEU QB 1.800 . 3.500 2.268 2.210 2.329 . 0 0 "[ . 1 .]" 4
535 2 66 LEU H 2 66 LEU MD1 1.800 . 4.500 2.849 2.669 3.044 . 0 0 "[ . 1 .]" 4
536 2 66 LEU HA 2 66 LEU MD1 1.800 . 4.500 3.683 3.615 3.765 . 0 0 "[ . 1 .]" 4
537 2 66 LEU HA 2 66 LEU MD2 1.800 . 3.000 2.700 2.678 2.723 . 0 0 "[ . 1 .]" 4
538 2 67 GLU H 2 68 SER H 1.800 . 3.500 2.838 2.794 2.896 . 0 0 "[ . 1 .]" 4
539 2 65 LEU HA 2 67 GLU H 1.800 . 4.500 4.494 4.215 4.578 0.078 10 0 "[ . 1 .]" 4
540 2 66 LEU HA 2 67 GLU H 1.800 . 4.000 3.533 3.470 3.550 . 0 0 "[ . 1 .]" 4
541 2 67 GLU H 2 67 GLU QB 1.800 . 3.500 2.449 2.386 2.824 . 0 0 "[ . 1 .]" 4
542 2 67 GLU H 2 67 GLU QG 1.800 . 2.800 2.371 1.850 2.498 . 0 0 "[ . 1 .]" 4
543 2 66 LEU QB 2 67 GLU H 1.800 . 3.500 2.565 2.499 2.627 . 0 0 "[ . 1 .]" 4
544 2 66 LEU MD1 2 67 GLU H 1.800 . 4.500 4.103 4.073 4.133 . 0 0 "[ . 1 .]" 4
545 2 67 GLU HA 2 68 SER H 1.800 . 4.000 3.498 3.487 3.540 . 0 0 "[ . 1 .]" 4
546 2 67 GLU QG 2 68 SER H 1.800 . 4.500 2.051 1.935 3.560 . 0 0 "[ . 1 .]" 4
547 2 68 SER H 2 68 SER QB 1.800 . 3.500 2.404 2.211 2.976 . 0 0 "[ . 1 .]" 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 547
_Distance_constraint_stats_list.Viol_count 752
_Distance_constraint_stats_list.Viol_total 1036.004
_Distance_constraint_stats_list.Viol_max 0.794
_Distance_constraint_stats_list.Viol_rms 0.0380
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0918
_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
3 4 LYS 0.577 0.142 2 0 "[ . 1 .]"
3 5 GLU 0.000 0.000 . 0 "[ . 1 .]"
3 6 LEU 0.850 0.219 6 0 "[ . 1 .]"
3 7 ARG 1.149 0.184 7 0 "[ . 1 .]"
3 8 CYS 2.308 0.794 12 1 "[ . 1 + .]"
3 9 GLN 0.289 0.108 10 0 "[ . 1 .]"
3 10 CYS 1.042 0.221 1 0 "[ . 1 .]"
3 11 VAL 0.000 0.000 . 0 "[ . 1 .]"
3 12 LYS 0.732 0.211 5 0 "[ . 1 .]"
3 13 THR 5.431 0.287 4 0 "[ . 1 .]"
3 14 THR 6.645 0.339 4 0 "[ . 1 .]"
3 15 SER 0.219 0.110 2 0 "[ . 1 .]"
3 16 GLN 0.000 0.000 . 0 "[ . 1 .]"
3 17 VAL 0.287 0.120 8 0 "[ . 1 .]"
3 18 ARG 0.000 0.000 . 0 "[ . 1 .]"
3 19 PRO 0.000 0.000 . 0 "[ . 1 .]"
3 20 ARG 0.000 0.000 . 0 "[ . 1 .]"
3 21 HIS 4.202 0.218 13 0 "[ . 1 .]"
3 22 ILE 0.093 0.030 12 0 "[ . 1 .]"
3 23 THR 1.425 0.192 12 0 "[ . 1 .]"
3 24 SER 3.773 0.282 5 0 "[ . 1 .]"
3 25 LEU 1.744 0.141 12 0 "[ . 1 .]"
3 26 GLU 1.731 0.225 13 0 "[ . 1 .]"
3 27 VAL 0.187 0.084 15 0 "[ . 1 .]"
3 28 ILE 1.837 0.185 15 0 "[ . 1 .]"
3 29 LYS 0.642 0.103 8 0 "[ . 1 .]"
3 30 ALA 1.039 0.123 7 0 "[ . 1 .]"
3 31 GLY 0.460 0.172 5 0 "[ . 1 .]"
3 32 PRO 0.577 0.142 2 0 "[ . 1 .]"
3 33 HIS 3.019 0.393 13 0 "[ . 1 .]"
3 34 CYS 3.275 0.794 12 1 "[ . 1 + .]"
3 35 PRO 0.000 0.000 . 0 "[ . 1 .]"
3 36 THR 1.187 0.123 7 0 "[ . 1 .]"
3 37 ALA 0.642 0.103 8 0 "[ . 1 .]"
3 38 GLN 1.609 0.185 15 0 "[ . 1 .]"
3 39 LEU 3.220 0.265 15 0 "[ . 1 .]"
3 40 ILE 1.853 0.225 13 0 "[ . 1 .]"
3 41 ALA 0.625 0.102 1 0 "[ . 1 .]"
3 42 THR 6.111 0.282 5 0 "[ . 1 .]"
3 43 LEU 11.342 0.504 12 1 "[ . 1 + .]"
3 44 LYS 0.403 0.040 4 0 "[ . 1 .]"
3 45 ASN 0.373 0.040 4 0 "[ . 1 .]"
3 46 GLY 6.522 0.504 12 1 "[ . 1 + .]"
3 47 ARG 1.369 0.135 12 0 "[ . 1 .]"
3 48 LYS 2.373 0.209 10 0 "[ . 1 .]"
3 49 ILE 5.261 0.198 4 0 "[ . 1 .]"
3 50 CYS 10.529 0.339 4 0 "[ . 1 .]"
3 51 LEU 6.471 0.282 7 0 "[ . 1 .]"
3 52 ASP 3.720 0.254 15 0 "[ . 1 .]"
3 53 LEU 1.514 0.254 15 0 "[ . 1 .]"
3 54 GLN 0.000 0.000 . 0 "[ . 1 .]"
3 55 ALA 0.000 0.000 . 0 "[ . 1 .]"
3 56 PRO 0.381 0.066 7 0 "[ . 1 .]"
3 57 LEU 0.618 0.066 10 0 "[ . 1 .]"
3 58 TYR 2.480 0.200 10 0 "[ . 1 .]"
3 59 LYS 3.487 0.236 3 0 "[ . 1 .]"
3 60 LYS 0.937 0.120 3 0 "[ . 1 .]"
3 61 ILE 1.242 0.175 3 0 "[ . 1 .]"
3 62 ILE 4.069 0.247 13 0 "[ . 1 .]"
3 63 LYS 0.955 0.120 3 0 "[ . 1 .]"
3 64 LYS 0.054 0.053 7 0 "[ . 1 .]"
3 65 LEU 1.051 0.247 13 0 "[ . 1 .]"
3 66 LEU 0.018 0.018 12 0 "[ . 1 .]"
3 67 GLU 0.449 0.074 11 0 "[ . 1 .]"
3 68 SER 0.000 0.000 . 0 "[ . 1 .]"
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 3 4 LYS H 3 32 PRO O 1.800 . 5.800 5.775 5.306 5.942 0.142 2 0 "[ . 1 .]" 5
2 3 4 LYS HA 3 5 GLU H 1.800 . 3.600 2.637 2.192 3.583 . 0 0 "[ . 1 .]" 5
3 3 6 LEU H 3 6 LEU QB 1.800 . 3.600 2.717 2.171 3.246 . 0 0 "[ . 1 .]" 5
4 3 6 LEU H 3 6 LEU QD 1.800 . 8.000 3.134 1.886 4.030 . 0 0 "[ . 1 .]" 5
5 3 6 LEU QD 3 32 PRO HB3 1.800 . 4.800 4.312 4.123 4.464 . 0 0 "[ . 1 .]" 5
6 3 6 LEU QD 3 32 PRO HB2 1.800 . 4.000 3.218 2.858 3.372 . 0 0 "[ . 1 .]" 5
7 3 6 LEU QD 3 33 HIS HB3 1.800 . 4.000 3.148 2.037 3.552 . 0 0 "[ . 1 .]" 5
8 3 6 LEU QD 3 33 HIS HB2 1.800 . 4.000 3.383 2.903 3.807 . 0 0 "[ . 1 .]" 5
9 3 6 LEU QD 3 35 PRO QG 1.800 . 5.000 2.819 1.896 3.562 . 0 0 "[ . 1 .]" 5
10 3 6 LEU QB 3 35 PRO QD 1.800 . 5.300 3.241 2.150 4.689 . 0 0 "[ . 1 .]" 5
11 3 7 ARG H 3 8 CYS H 1.800 . 3.500 3.025 2.150 3.684 0.184 7 0 "[ . 1 .]" 5
12 3 6 LEU HA 3 7 ARG H 1.800 . 3.500 2.981 2.168 3.579 0.079 15 0 "[ . 1 .]" 5
13 3 7 ARG H 3 7 ARG QB 1.800 . 3.500 2.935 2.730 3.035 . 0 0 "[ . 1 .]" 5
14 3 7 ARG H 3 7 ARG QD 1.800 . 8.000 4.924 4.189 5.462 . 0 0 "[ . 1 .]" 5
15 3 6 LEU QD 3 7 ARG H 1.800 . 3.500 3.080 2.534 3.293 . 0 0 "[ . 1 .]" 5
16 3 7 ARG H 3 33 HIS O 1.800 . 2.500 2.312 2.107 2.677 0.177 9 0 "[ . 1 .]" 5
17 3 7 ARG QB 3 33 HIS HE1 1.800 . 6.000 5.433 5.369 5.536 . 0 0 "[ . 1 .]" 5
18 3 8 CYS H 3 8 CYS HB3 1.800 . 3.500 3.130 2.542 3.620 0.120 15 0 "[ . 1 .]" 5
19 3 8 CYS HB3 3 9 GLN QB 1.800 . 8.000 5.187 4.498 5.720 . 0 0 "[ . 1 .]" 5
20 3 8 CYS HB3 3 34 CYS HB2 1.800 . 5.000 4.431 3.931 5.794 0.794 12 1 "[ . 1 + .]" 5
21 3 8 CYS HB2 3 36 THR MG 1.800 . 4.000 3.550 3.078 3.749 . 0 0 "[ . 1 .]" 5
22 3 8 CYS HB3 3 9 GLN H 1.800 . 6.000 3.693 3.217 4.277 . 0 0 "[ . 1 .]" 5
23 3 8 CYS HB2 3 9 GLN H 1.800 . 4.500 4.353 4.029 4.608 0.108 10 0 "[ . 1 .]" 5
24 3 9 GLN H 3 10 CYS HB3 1.800 . 8.000 5.345 4.460 6.015 . 0 0 "[ . 1 .]" 5
25 3 9 GLN H 3 10 CYS HB2 1.800 . 8.000 5.279 4.526 6.733 . 0 0 "[ . 1 .]" 5
26 3 9 GLN H 3 9 GLN QB 1.800 . 3.500 2.472 2.204 2.694 . 0 0 "[ . 1 .]" 5
27 3 9 GLN H 3 9 GLN QG 1.800 . 4.500 2.790 1.898 4.045 . 0 0 "[ . 1 .]" 5
28 3 10 CYS HA 3 50 CYS HB3 1.800 . 8.000 4.960 4.172 5.394 . 0 0 "[ . 1 .]" 5
29 3 9 GLN HA 3 10 CYS H 1.800 . 3.500 3.488 3.424 3.584 0.084 1 0 "[ . 1 .]" 5
30 3 9 GLN H 3 10 CYS H 1.800 . 3.500 2.666 2.341 2.961 . 0 0 "[ . 1 .]" 5
31 3 8 CYS HB3 3 10 CYS H 1.800 . 3.500 3.068 2.439 3.629 0.129 4 0 "[ . 1 .]" 5
32 3 8 CYS HB2 3 10 CYS H 1.800 . 4.700 4.350 3.747 4.819 0.119 12 0 "[ . 1 .]" 5
33 3 10 CYS H 3 10 CYS HB3 1.800 . 3.500 2.927 2.368 3.416 . 0 0 "[ . 1 .]" 5
34 3 10 CYS H 3 10 CYS HB2 1.800 . 4.100 3.073 2.546 3.835 . 0 0 "[ . 1 .]" 5
35 3 9 GLN QB 3 10 CYS H 1.800 . 3.500 2.897 2.254 3.273 . 0 0 "[ . 1 .]" 5
36 3 9 GLN QG 3 10 CYS H 1.800 . 4.500 3.791 1.964 4.076 . 0 0 "[ . 1 .]" 5
37 3 10 CYS HA 3 11 VAL H 1.800 . 6.000 2.391 2.174 2.646 . 0 0 "[ . 1 .]" 5
38 3 12 LYS H 3 13 THR H 1.800 . 4.500 4.491 4.274 4.711 0.211 5 0 "[ . 1 .]" 5
39 3 13 THR H 3 14 THR H 1.800 . 4.500 4.433 4.334 4.558 0.058 6 0 "[ . 1 .]" 5
40 3 13 THR HA 3 13 THR MG 1.800 . 2.800 2.104 1.984 2.157 . 0 0 "[ . 1 .]" 5
41 3 13 THR HA 3 52 ASP HB3 1.800 . 7.000 5.397 4.193 6.348 . 0 0 "[ . 1 .]" 5
42 3 13 THR HA 3 52 ASP HB2 1.800 . 7.000 5.377 4.583 6.201 . 0 0 "[ . 1 .]" 5
43 3 13 THR HB 3 52 ASP HB3 1.800 . 5.500 4.785 3.803 5.639 0.139 7 0 "[ . 1 .]" 5
44 3 13 THR HB 3 52 ASP HB2 1.800 . 5.500 4.679 3.768 5.606 0.106 5 0 "[ . 1 .]" 5
45 3 13 THR HA 3 14 THR H 1.800 . 3.500 2.181 2.159 2.202 . 0 0 "[ . 1 .]" 5
46 3 14 THR H 3 51 LEU MD1 1.800 . 7.500 5.870 5.780 6.136 . 0 0 "[ . 1 .]" 5
47 3 14 THR H 3 51 LEU MD2 1.800 . 7.500 3.405 3.285 3.615 . 0 0 "[ . 1 .]" 5
48 3 14 THR H 3 51 LEU HA 1.800 . 5.000 3.091 2.941 3.331 . 0 0 "[ . 1 .]" 5
49 3 14 THR H 3 14 THR HB 1.800 . 3.500 2.845 2.518 3.692 0.192 4 0 "[ . 1 .]" 5
50 3 14 THR H 3 14 THR MG 1.800 . 4.300 3.679 2.175 3.827 . 0 0 "[ . 1 .]" 5
51 3 13 THR HB 3 14 THR H 1.800 . 3.500 3.713 3.669 3.787 0.287 4 0 "[ . 1 .]" 5
52 3 14 THR MG 3 49 ILE MG 1.800 . 6.000 2.524 2.084 3.796 . 0 0 "[ . 1 .]" 5
53 3 14 THR MG 3 49 ILE MD 1.800 . 5.000 4.243 3.870 4.489 . 0 0 "[ . 1 .]" 5
54 3 14 THR HA 3 14 THR MG 1.800 . 3.500 2.181 1.978 2.586 . 0 0 "[ . 1 .]" 5
55 3 14 THR HB 3 51 LEU MD2 1.800 . 5.000 3.245 2.951 4.478 . 0 0 "[ . 1 .]" 5
56 3 14 THR H 3 50 CYS O 1.800 . 2.200 2.229 2.175 2.308 0.108 2 0 "[ . 1 .]" 5
57 3 14 THR H 3 50 CYS HB3 1.800 . 5.000 4.769 4.566 4.981 . 0 0 "[ . 1 .]" 5
58 3 14 THR H 3 50 CYS HB2 1.800 . 5.000 4.869 4.579 5.078 0.078 7 0 "[ . 1 .]" 5
59 3 14 THR O 3 50 CYS H 1.800 . 3.400 3.564 3.499 3.739 0.339 4 0 "[ . 1 .]" 5
60 3 14 THR HA 3 15 SER H 1.800 . 6.000 2.628 2.555 2.680 . 0 0 "[ . 1 .]" 5
61 3 13 THR HB 3 15 SER H 1.800 . 4.500 2.936 2.830 3.015 . 0 0 "[ . 1 .]" 5
62 3 13 THR MG 3 15 SER H 1.800 . 4.000 3.594 3.553 3.618 . 0 0 "[ . 1 .]" 5
63 3 14 THR H 3 15 SER H 1.800 . 4.500 3.442 3.376 3.493 . 0 0 "[ . 1 .]" 5
64 3 15 SER H 3 15 SER HB2 1.800 . 3.500 3.010 2.211 3.610 0.110 2 0 "[ . 1 .]" 5
65 3 15 SER HA 3 16 GLN H 1.800 . 4.000 3.375 3.332 3.432 . 0 0 "[ . 1 .]" 5
66 3 15 SER H 3 16 GLN H 1.800 . 4.500 2.635 2.534 2.673 . 0 0 "[ . 1 .]" 5
67 3 15 SER HB3 3 17 VAL H 1.800 . 6.000 5.174 4.873 5.492 . 0 0 "[ . 1 .]" 5
68 3 15 SER HB2 3 17 VAL H 1.800 . 8.000 5.042 4.839 5.468 . 0 0 "[ . 1 .]" 5
69 3 17 VAL H 3 17 VAL HB 1.800 . 2.800 2.531 2.392 2.595 . 0 0 "[ . 1 .]" 5
70 3 17 VAL H 3 17 VAL MG1 1.800 . 6.000 3.467 2.028 3.805 . 0 0 "[ . 1 .]" 5
71 3 17 VAL H 3 17 VAL MG2 1.800 . 6.000 2.613 2.108 3.765 . 0 0 "[ . 1 .]" 5
72 3 17 VAL HB 3 51 LEU HG 1.800 . 5.000 4.989 4.748 5.120 0.120 8 0 "[ . 1 .]" 5
73 3 17 VAL HB 3 51 LEU MD2 1.800 . 4.000 3.547 3.284 3.633 . 0 0 "[ . 1 .]" 5
74 3 17 VAL HA 3 18 ARG H 1.800 . 4.500 2.299 2.208 2.391 . 0 0 "[ . 1 .]" 5
75 3 18 ARG H 3 18 ARG QB 1.800 . 3.500 2.348 2.144 2.618 . 0 0 "[ . 1 .]" 5
76 3 18 ARG H 3 18 ARG QG 1.800 . 4.500 3.354 2.063 4.035 . 0 0 "[ . 1 .]" 5
77 3 19 PRO QG 3 61 ILE MD 1.800 . 6.000 3.788 3.217 4.535 . 0 0 "[ . 1 .]" 5
78 3 20 ARG QG 3 64 LYS QD 1.800 . 4.500 3.915 3.432 4.027 . 0 0 "[ . 1 .]" 5
79 3 21 HIS H 3 44 LYS HA 1.800 . 8.000 7.521 6.986 7.885 . 0 0 "[ . 1 .]" 5
80 3 21 HIS H 3 21 HIS HB3 1.800 . 3.500 3.594 2.763 3.718 0.218 13 0 "[ . 1 .]" 5
81 3 21 HIS HA 3 21 HIS HD2 1.800 . 4.200 4.296 4.099 4.404 0.204 1 0 "[ . 1 .]" 5
82 3 21 HIS HD2 3 22 ILE MD 1.800 . 8.000 5.918 4.300 7.172 . 0 0 "[ . 1 .]" 5
83 3 21 HIS HD2 3 44 LYS QG 1.800 . 6.000 5.146 4.670 5.406 . 0 0 "[ . 1 .]" 5
84 3 20 ARG QB 3 21 HIS HD2 1.800 . 6.000 2.711 2.418 3.209 . 0 0 "[ . 1 .]" 5
85 3 20 ARG QG 3 21 HIS HD2 1.800 . 6.000 4.739 4.285 5.201 . 0 0 "[ . 1 .]" 5
86 3 20 ARG QD 3 21 HIS HD2 1.800 . 6.000 4.521 3.952 5.384 . 0 0 "[ . 1 .]" 5
87 3 21 HIS HB3 3 43 LEU QD 1.800 . 5.000 3.933 3.326 4.483 . 0 0 "[ . 1 .]" 5
88 3 21 HIS HB2 3 43 LEU QD 1.800 . 5.000 2.650 2.038 4.083 . 0 0 "[ . 1 .]" 5
89 3 21 HIS HD2 3 43 LEU QD 1.800 . 3.500 3.073 2.046 3.168 . 0 0 "[ . 1 .]" 5
90 3 21 HIS HA 3 22 ILE H 1.800 . 4.500 2.918 2.391 3.150 . 0 0 "[ . 1 .]" 5
91 3 22 ILE H 3 22 ILE HB 1.800 . 3.500 2.163 1.964 2.339 . 0 0 "[ . 1 .]" 5
92 3 22 ILE H 3 22 ILE MG 1.800 . 3.500 2.781 2.606 3.210 . 0 0 "[ . 1 .]" 5
93 3 22 ILE H 3 22 ILE QG 1.800 . 4.500 3.915 3.298 4.098 . 0 0 "[ . 1 .]" 5
94 3 22 ILE H 3 22 ILE MD 1.800 . 4.900 3.637 3.252 4.191 . 0 0 "[ . 1 .]" 5
95 3 21 HIS HB3 3 22 ILE H 1.800 . 4.600 4.597 4.561 4.630 0.030 12 0 "[ . 1 .]" 5
96 3 21 HIS HB2 3 22 ILE H 1.800 . 4.400 4.081 3.892 4.403 0.003 7 0 "[ . 1 .]" 5
97 3 21 HIS H 3 22 ILE H 1.800 . 3.500 2.870 2.642 3.505 0.005 3 0 "[ . 1 .]" 5
98 3 22 ILE HA 3 44 LYS H 1.800 . 6.000 3.381 3.286 3.594 . 0 0 "[ . 1 .]" 5
99 3 22 ILE MD 3 51 LEU MD1 1.800 . 5.000 3.865 3.313 4.319 . 0 0 "[ . 1 .]" 5
100 3 22 ILE MD 3 25 LEU QD 1.800 . 7.000 3.857 2.535 4.564 . 0 0 "[ . 1 .]" 5
101 3 22 ILE MD 3 23 THR H 1.800 . 3.900 3.084 1.897 3.400 . 0 0 "[ . 1 .]" 5
102 3 22 ILE HA 3 23 THR H 1.800 . 2.800 2.498 2.337 2.587 . 0 0 "[ . 1 .]" 5
103 3 22 ILE MG 3 23 THR H 1.800 . 2.800 2.539 2.501 2.580 . 0 0 "[ . 1 .]" 5
104 3 23 THR HB 3 42 THR MG 1.800 . 6.000 5.076 4.894 5.349 . 0 0 "[ . 1 .]" 5
105 3 23 THR H 3 23 THR MG 1.800 . 2.800 2.156 1.924 2.603 . 0 0 "[ . 1 .]" 5
106 3 23 THR H 3 43 LEU HA 1.800 . 2.800 2.891 2.815 2.992 0.192 12 0 "[ . 1 .]" 5
107 3 23 THR H 3 24 SER H 1.800 . 2.800 1.984 1.939 2.073 . 0 0 "[ . 1 .]" 5
108 3 23 THR H 3 44 LYS H 1.800 . 8.000 4.683 4.529 4.897 . 0 0 "[ . 1 .]" 5
109 3 23 THR H 3 24 SER HA 1.800 . 8.000 4.311 4.238 4.455 . 0 0 "[ . 1 .]" 5
110 3 24 SER H 3 42 THR HB 1.800 . 3.500 2.594 2.470 2.718 . 0 0 "[ . 1 .]" 5
111 3 24 SER H 3 24 SER QB 1.800 . 3.500 3.114 2.883 3.251 . 0 0 "[ . 1 .]" 5
112 3 24 SER H 3 42 THR MG 1.800 . 6.000 4.232 4.128 4.351 . 0 0 "[ . 1 .]" 5
113 3 23 THR HB 3 24 SER H 1.800 . 4.500 3.797 3.625 3.870 . 0 0 "[ . 1 .]" 5
114 3 24 SER O 3 42 THR H 1.600 . 2.200 2.126 2.101 2.196 . 0 0 "[ . 1 .]" 5
115 3 24 SER HA 3 24 SER QB 1.800 . 2.800 2.267 2.178 2.402 . 0 0 "[ . 1 .]" 5
116 3 24 SER HA 3 25 LEU QB 1.800 . 6.000 3.783 3.727 3.826 . 0 0 "[ . 1 .]" 5
117 3 24 SER HA 3 25 LEU H 1.800 . 2.800 2.385 2.340 2.468 . 0 0 "[ . 1 .]" 5
118 3 24 SER QB 3 25 LEU H 1.800 . 3.200 2.604 2.549 2.645 . 0 0 "[ . 1 .]" 5
119 3 25 LEU H 3 25 LEU QB 1.800 . 2.800 2.753 2.611 2.837 0.037 6 0 "[ . 1 .]" 5
120 3 25 LEU H 3 25 LEU HG 1.800 . 4.400 3.258 2.587 4.424 0.024 3 0 "[ . 1 .]" 5
121 3 25 LEU H 3 25 LEU QD 1.800 . 4.500 3.312 2.941 3.492 . 0 0 "[ . 1 .]" 5
122 3 25 LEU HA 3 26 GLU QB 1.800 . 5.000 4.569 4.507 4.602 . 0 0 "[ . 1 .]" 5
123 3 25 LEU HA 3 26 GLU QG 1.800 . 3.500 3.218 3.173 3.357 . 0 0 "[ . 1 .]" 5
124 3 25 LEU HA 3 41 ALA MB 1.800 . 3.500 3.236 3.196 3.282 . 0 0 "[ . 1 .]" 5
125 3 25 LEU HA 3 25 LEU QB 1.800 . 2.800 2.161 2.148 2.182 . 0 0 "[ . 1 .]" 5
126 3 25 LEU HA 3 25 LEU HG 1.800 . 3.500 3.404 2.918 3.641 0.141 12 0 "[ . 1 .]" 5
127 3 25 LEU HA 3 25 LEU QD 1.800 . 3.500 3.200 3.133 3.276 . 0 0 "[ . 1 .]" 5
128 3 25 LEU HG 3 58 TYR QD 1.800 . 8.000 6.228 5.662 6.771 . 0 0 "[ . 1 .]" 5
129 3 25 LEU HA 3 26 GLU H 1.800 . 2.800 2.182 2.113 2.236 . 0 0 "[ . 1 .]" 5
130 3 26 GLU H 3 41 ALA HA 1.800 . 3.500 2.507 2.369 2.665 . 0 0 "[ . 1 .]" 5
131 3 25 LEU H 3 26 GLU H 1.800 . 8.000 4.349 4.266 4.401 . 0 0 "[ . 1 .]" 5
132 3 26 GLU H 3 42 THR H 1.800 . 6.000 4.687 4.571 4.830 . 0 0 "[ . 1 .]" 5
133 3 26 GLU H 3 26 GLU QB 1.800 . 3.500 2.680 2.609 2.986 . 0 0 "[ . 1 .]" 5
134 3 26 GLU H 3 26 GLU QG 1.800 . 3.500 1.919 1.788 1.996 0.012 13 0 "[ . 1 .]" 5
135 3 25 LEU QB 3 26 GLU H 1.800 . 3.500 3.140 2.896 3.373 . 0 0 "[ . 1 .]" 5
136 3 25 LEU HG 3 26 GLU H 1.800 . 6.000 3.573 2.141 4.235 . 0 0 "[ . 1 .]" 5
137 3 26 GLU H 3 40 ILE MG 1.800 . 4.000 3.672 3.613 3.764 . 0 0 "[ . 1 .]" 5
138 3 26 GLU H 3 40 ILE HB 1.800 . 4.500 3.430 3.266 3.726 . 0 0 "[ . 1 .]" 5
139 3 26 GLU HA 3 26 GLU QB 1.800 . 2.800 2.268 2.182 2.288 . 0 0 "[ . 1 .]" 5
140 3 26 GLU HA 3 26 GLU QG 1.800 . 3.500 2.631 2.511 3.238 . 0 0 "[ . 1 .]" 5
141 3 26 GLU O 3 40 ILE H 1.800 . 2.500 2.357 2.186 2.617 0.117 11 0 "[ . 1 .]" 5
142 3 25 LEU QD 3 26 GLU HA 1.800 . 3.500 3.203 3.141 3.260 . 0 0 "[ . 1 .]" 5
143 3 25 LEU HG 3 26 GLU HA 1.800 . 4.500 4.297 3.880 4.578 0.078 6 0 "[ . 1 .]" 5
144 3 26 GLU HA 3 27 VAL H 1.800 . 2.800 2.336 2.249 2.421 . 0 0 "[ . 1 .]" 5
145 3 27 VAL H 3 27 VAL HB 1.800 . 3.200 2.877 2.746 3.103 . 0 0 "[ . 1 .]" 5
146 3 27 VAL H 3 27 VAL QG 1.800 . 3.500 2.859 2.221 3.158 . 0 0 "[ . 1 .]" 5
147 3 26 GLU QB 3 27 VAL H 1.800 . 3.500 2.609 2.459 2.739 . 0 0 "[ . 1 .]" 5
148 3 26 GLU QG 3 27 VAL H 1.800 . 4.500 4.158 4.045 4.220 . 0 0 "[ . 1 .]" 5
149 3 27 VAL HA 3 28 ILE H 1.800 . 2.800 2.235 2.138 2.356 . 0 0 "[ . 1 .]" 5
150 3 27 VAL QG 3 28 ILE H 1.800 . 3.500 3.128 2.996 3.230 . 0 0 "[ . 1 .]" 5
151 3 28 ILE H 3 39 LEU HA 1.800 . 3.500 2.358 2.065 2.953 . 0 0 "[ . 1 .]" 5
152 3 28 ILE H 3 38 GLN H 1.800 . 4.500 4.440 4.272 4.544 0.044 5 0 "[ . 1 .]" 5
153 3 28 ILE H 3 38 GLN QG 1.800 . 6.000 5.139 4.324 5.409 . 0 0 "[ . 1 .]" 5
154 3 28 ILE H 3 28 ILE HB 1.800 . 3.600 2.861 2.488 3.746 0.146 11 0 "[ . 1 .]" 5
155 3 28 ILE H 3 28 ILE QG 1.800 . 4.500 2.778 1.860 4.070 . 0 0 "[ . 1 .]" 5
156 3 28 ILE H 3 28 ILE MG 1.800 . 4.500 3.502 1.980 3.900 . 0 0 "[ . 1 .]" 5
157 3 28 ILE H 3 28 ILE MD 1.800 . 3.500 2.480 2.002 3.377 . 0 0 "[ . 1 .]" 5
158 3 28 ILE O 3 38 GLN H 1.800 . 2.200 2.259 2.190 2.338 0.138 15 0 "[ . 1 .]" 5
159 3 28 ILE HA 3 29 LYS H 1.800 . 3.500 2.270 2.205 2.341 . 0 0 "[ . 1 .]" 5
160 3 29 LYS HA 3 37 ALA HA 1.800 . 3.200 3.225 3.113 3.303 0.103 8 0 "[ . 1 .]" 5
161 3 29 LYS HA 3 30 ALA H 1.800 . 3.500 2.705 2.653 2.812 . 0 0 "[ . 1 .]" 5
162 3 30 ALA H 3 30 ALA MB 1.800 . 2.800 2.095 2.073 2.124 . 0 0 "[ . 1 .]" 5
163 3 30 ALA H 3 37 ALA HA 1.800 . 6.000 3.197 3.096 3.322 . 0 0 "[ . 1 .]" 5
164 3 30 ALA H 3 37 ALA MB 1.800 . 4.500 4.049 4.008 4.090 . 0 0 "[ . 1 .]" 5
165 3 29 LYS H 3 30 ALA H 1.800 . 8.000 4.501 4.430 4.551 . 0 0 "[ . 1 .]" 5
166 3 29 LYS QB 3 30 ALA H 1.800 . 6.000 2.457 2.148 2.732 . 0 0 "[ . 1 .]" 5
167 3 30 ALA H 3 36 THR H 1.800 . 8.000 6.412 6.337 6.516 . 0 0 "[ . 1 .]" 5
168 3 29 LYS QG 3 30 ALA H 1.800 . 6.000 2.022 1.894 2.679 . 0 0 "[ . 1 .]" 5
169 3 30 ALA H 3 36 THR MG 1.800 . 6.800 6.108 6.075 6.149 . 0 0 "[ . 1 .]" 5
170 3 30 ALA HA 3 31 GLY H 1.800 . 2.800 2.273 2.212 2.334 . 0 0 "[ . 1 .]" 5
171 3 31 GLY H 3 35 PRO QD 1.800 . 6.000 5.358 5.319 5.376 . 0 0 "[ . 1 .]" 5
172 3 31 GLY H 3 32 PRO QD 1.800 . 6.000 4.019 3.920 4.132 . 0 0 "[ . 1 .]" 5
173 3 31 GLY HA3 3 32 PRO QD 1.800 . 2.800 2.036 1.988 2.106 . 0 0 "[ . 1 .]" 5
174 3 31 GLY HA2 3 32 PRO QD 1.800 . 2.800 2.500 2.433 2.577 . 0 0 "[ . 1 .]" 5
175 3 31 GLY H 3 34 CYS O 1.800 . 3.300 2.286 2.197 2.358 . 0 0 "[ . 1 .]" 5
176 3 32 PRO QD 3 36 THR MG 1.800 . 8.000 7.250 7.170 7.327 . 0 0 "[ . 1 .]" 5
177 3 33 HIS H 3 34 CYS H 1.800 . 3.000 2.649 2.564 2.795 . 0 0 "[ . 1 .]" 5
178 3 33 HIS HB2 3 33 HIS HD2 1.800 . 3.900 3.628 2.753 3.955 0.055 4 0 "[ . 1 .]" 5
179 3 33 HIS HB3 3 33 HIS HD2 1.800 . 3.900 3.302 2.814 3.920 0.020 12 0 "[ . 1 .]" 5
180 3 33 HIS HD2 3 34 CYS HA 1.800 . 8.000 5.215 4.221 6.086 . 0 0 "[ . 1 .]" 5
181 3 32 PRO HA 3 33 HIS HD2 1.800 . 8.000 5.336 4.299 6.958 . 0 0 "[ . 1 .]" 5
182 3 33 HIS HD2 3 34 CYS HB3 1.800 . 4.300 4.331 3.710 4.693 0.393 13 0 "[ . 1 .]" 5
183 3 31 GLY HA3 3 33 HIS HE1 1.800 . 7.000 5.434 5.300 5.678 . 0 0 "[ . 1 .]" 5
184 3 31 GLY HA2 3 33 HIS HE1 1.800 . 7.100 7.053 6.759 7.272 0.172 5 0 "[ . 1 .]" 5
185 3 34 CYS H 3 35 PRO QG 1.800 . 6.000 5.175 5.062 5.288 . 0 0 "[ . 1 .]" 5
186 3 34 CYS H 3 34 CYS HB3 1.800 . 3.500 2.909 2.674 3.690 0.190 12 0 "[ . 1 .]" 5
187 3 34 CYS H 3 34 CYS HB2 1.800 . 3.500 2.867 2.477 3.118 . 0 0 "[ . 1 .]" 5
188 3 34 CYS HA 3 35 PRO QD 1.800 . 3.600 1.993 1.951 2.055 . 0 0 "[ . 1 .]" 5
189 3 34 CYS HA 3 38 GLN QB 1.800 . 5.500 4.988 4.784 5.066 . 0 0 "[ . 1 .]" 5
190 3 34 CYS HA 3 38 GLN QG 1.800 . 6.000 5.434 5.353 5.515 . 0 0 "[ . 1 .]" 5
191 3 6 LEU HG 3 34 CYS HA 1.800 . 6.800 6.441 3.879 7.019 0.219 6 0 "[ . 1 .]" 5
192 3 6 LEU QD 3 34 CYS HA 1.800 . 6.000 4.065 3.485 4.922 . 0 0 "[ . 1 .]" 5
193 3 34 CYS HB3 3 38 GLN QB 1.800 . 6.500 3.303 2.735 3.838 . 0 0 "[ . 1 .]" 5
194 3 34 CYS HB3 3 36 THR MG 1.800 . 5.000 3.889 2.967 4.178 . 0 0 "[ . 1 .]" 5
195 3 34 CYS HB2 3 38 GLN QB 1.800 . 6.500 3.969 3.698 4.344 . 0 0 "[ . 1 .]" 5
196 3 34 CYS HB2 3 38 GLN QG 1.800 . 6.000 4.298 3.756 5.187 . 0 0 "[ . 1 .]" 5
197 3 35 PRO HA 3 35 PRO HB3 1.800 . 2.800 2.269 2.265 2.276 . 0 0 "[ . 1 .]" 5
198 3 35 PRO HA 3 35 PRO QG 1.800 . 3.900 3.506 3.503 3.509 . 0 0 "[ . 1 .]" 5
199 3 6 LEU QD 3 35 PRO QD 1.800 . 6.000 2.426 1.818 3.520 . 0 0 "[ . 1 .]" 5
200 3 34 CYS HA 3 36 THR H 1.800 . 4.500 3.184 3.090 3.291 . 0 0 "[ . 1 .]" 5
201 3 36 THR H 3 36 THR HB 1.800 . 2.800 2.806 2.780 2.827 0.027 5 0 "[ . 1 .]" 5
202 3 36 THR H 3 36 THR MG 1.800 . 2.800 1.893 1.862 1.974 . 0 0 "[ . 1 .]" 5
203 3 35 PRO QD 3 36 THR H 1.800 . 4.000 2.578 2.464 2.639 . 0 0 "[ . 1 .]" 5
204 3 34 CYS HB3 3 36 THR H 1.800 . 4.500 4.252 3.656 4.444 . 0 0 "[ . 1 .]" 5
205 3 34 CYS HB2 3 36 THR H 1.800 . 5.300 4.965 4.782 5.070 . 0 0 "[ . 1 .]" 5
206 3 30 ALA MB 3 36 THR HA 1.800 . 3.500 2.858 2.783 2.955 . 0 0 "[ . 1 .]" 5
207 3 34 CYS HB3 3 36 THR HA 1.800 . 8.000 6.526 5.742 6.788 . 0 0 "[ . 1 .]" 5
208 3 30 ALA H 3 36 THR O 1.800 . 4.300 4.369 4.326 4.423 0.123 7 0 "[ . 1 .]" 5
209 3 36 THR HA 3 37 ALA H 1.800 . 2.800 2.433 2.391 2.480 . 0 0 "[ . 1 .]" 5
210 3 37 ALA H 3 37 ALA MB 1.800 . 2.800 2.139 2.082 2.282 . 0 0 "[ . 1 .]" 5
211 3 36 THR MG 3 37 ALA H 1.800 . 4.500 3.612 3.456 3.759 . 0 0 "[ . 1 .]" 5
212 3 37 ALA H 3 53 LEU QD 1.800 . 8.000 5.052 2.301 6.561 . 0 0 "[ . 1 .]" 5
213 3 36 THR HB 3 37 ALA H 1.800 . 4.300 3.965 3.866 4.041 . 0 0 "[ . 1 .]" 5
214 3 30 ALA MB 3 37 ALA HA 1.800 . 3.500 2.955 2.885 3.134 . 0 0 "[ . 1 .]" 5
215 3 29 LYS QG 3 37 ALA HA 1.800 . 4.500 3.824 3.426 4.045 . 0 0 "[ . 1 .]" 5
216 3 37 ALA HA 3 38 GLN H 1.800 . 2.800 2.249 2.216 2.332 . 0 0 "[ . 1 .]" 5
217 3 37 ALA MB 3 38 GLN H 1.800 . 3.500 3.132 2.959 3.169 . 0 0 "[ . 1 .]" 5
218 3 28 ILE MG 3 38 GLN H 1.800 . 6.000 4.457 3.873 5.420 . 0 0 "[ . 1 .]" 5
219 3 28 ILE H 3 38 GLN O 1.800 . 2.200 2.176 2.096 2.385 0.185 15 0 "[ . 1 .]" 5
220 3 28 ILE MD 3 38 GLN H 1.800 . 6.000 4.708 2.252 5.529 . 0 0 "[ . 1 .]" 5
221 3 28 ILE MG 3 38 GLN QE 1.800 . 3.500 3.034 1.913 3.245 . 0 0 "[ . 1 .]" 5
222 3 28 ILE MD 3 38 GLN QE 1.800 . 4.500 2.397 1.659 3.383 0.141 9 0 "[ . 1 .]" 5
223 3 28 ILE MD 3 38 GLN QG 1.800 . 6.000 4.012 2.757 5.127 . 0 0 "[ . 1 .]" 5
224 3 28 ILE MD 3 38 GLN QB 1.800 . 5.000 3.287 1.758 4.472 0.042 4 0 "[ . 1 .]" 5
225 3 38 GLN QG 3 40 ILE MD 1.800 . 4.500 3.261 2.943 3.556 . 0 0 "[ . 1 .]" 5
226 3 38 GLN QG 3 50 CYS HB3 1.800 . 6.300 5.603 5.490 5.719 . 0 0 "[ . 1 .]" 5
227 3 38 GLN QG 3 50 CYS HB2 1.800 . 5.500 4.465 4.272 4.673 . 0 0 "[ . 1 .]" 5
228 3 39 LEU H 3 51 LEU H 1.800 . 4.500 4.387 4.230 4.518 0.018 7 0 "[ . 1 .]" 5
229 3 38 GLN HA 3 39 LEU H 1.800 . 2.800 2.236 2.143 2.341 . 0 0 "[ . 1 .]" 5
230 3 39 LEU H 3 39 LEU QB 1.800 . 4.500 2.827 2.410 3.400 . 0 0 "[ . 1 .]" 5
231 3 39 LEU H 3 39 LEU HG 1.800 . 4.400 3.578 2.157 4.438 0.038 6 0 "[ . 1 .]" 5
232 3 39 LEU H 3 39 LEU QD 1.800 . 4.500 3.159 1.880 4.004 . 0 0 "[ . 1 .]" 5
233 3 39 LEU QB 3 58 TYR QD 1.800 . 6.500 5.234 4.861 5.575 . 0 0 "[ . 1 .]" 5
234 3 39 LEU O 3 51 LEU H 1.800 . 2.400 2.473 2.381 2.570 0.170 2 0 "[ . 1 .]" 5
235 3 27 VAL HA 3 39 LEU HA 1.800 . 2.600 2.355 1.945 2.684 0.084 15 0 "[ . 1 .]" 5
236 3 25 LEU QD 3 39 LEU QB 1.800 . 3.900 3.296 2.591 3.675 . 0 0 "[ . 1 .]" 5
237 3 27 VAL QG 3 39 LEU HG 1.800 . 4.100 3.607 3.119 3.853 . 0 0 "[ . 1 .]" 5
238 3 27 VAL HA 3 40 ILE H 1.800 . 4.500 3.331 2.989 3.615 . 0 0 "[ . 1 .]" 5
239 3 26 GLU QG 3 40 ILE H 1.800 . 4.500 3.884 2.133 4.168 . 0 0 "[ . 1 .]" 5
240 3 39 LEU HA 3 40 ILE H 1.800 . 2.800 2.215 2.170 2.279 . 0 0 "[ . 1 .]" 5
241 3 39 LEU QB 3 40 ILE H 1.800 . 4.100 3.434 2.884 3.784 . 0 0 "[ . 1 .]" 5
242 3 26 GLU H 3 40 ILE H 1.800 . 3.500 3.591 3.518 3.725 0.225 13 0 "[ . 1 .]" 5
243 3 40 ILE H 3 40 ILE HB 1.800 . 2.800 2.545 2.455 2.650 . 0 0 "[ . 1 .]" 5
244 3 40 ILE H 3 40 ILE QG 1.800 . 4.500 2.736 2.615 2.822 . 0 0 "[ . 1 .]" 5
245 3 40 ILE H 3 40 ILE MD 1.800 . 4.500 3.723 3.619 3.889 . 0 0 "[ . 1 .]" 5
246 3 40 ILE HA 3 50 CYS HA 1.800 . 2.200 2.161 2.053 2.234 0.034 12 0 "[ . 1 .]" 5
247 3 40 ILE HA 3 50 CYS HB3 1.800 . 4.500 2.983 2.866 3.129 . 0 0 "[ . 1 .]" 5
248 3 40 ILE HA 3 50 CYS HB2 1.800 . 6.000 2.080 1.874 2.381 . 0 0 "[ . 1 .]" 5
249 3 26 GLU H 3 40 ILE O 1.800 . 2.400 2.119 2.077 2.210 . 0 0 "[ . 1 .]" 5
250 3 40 ILE HA 3 41 ALA H 1.800 . 2.800 2.505 2.478 2.532 . 0 0 "[ . 1 .]" 5
251 3 41 ALA H 3 50 CYS HA 1.800 . 3.500 2.898 2.787 3.045 . 0 0 "[ . 1 .]" 5
252 3 41 ALA H 3 48 LYS HA 1.800 . 6.000 4.081 3.971 4.381 . 0 0 "[ . 1 .]" 5
253 3 41 ALA H 3 49 ILE H 1.800 . 3.500 3.185 3.069 3.272 . 0 0 "[ . 1 .]" 5
254 3 41 ALA H 3 41 ALA MB 1.800 . 2.800 2.593 2.534 2.620 . 0 0 "[ . 1 .]" 5
255 3 40 ILE MG 3 41 ALA H 1.800 . 2.800 1.785 1.768 1.806 0.032 3 0 "[ . 1 .]" 5
256 3 40 ILE HB 3 41 ALA H 1.800 . 4.500 3.575 3.502 3.668 . 0 0 "[ . 1 .]" 5
257 3 40 ILE MD 3 41 ALA H 1.800 . 3.500 3.192 3.075 3.300 . 0 0 "[ . 1 .]" 5
258 3 40 ILE QG 3 41 ALA H 1.800 . 4.900 4.295 4.271 4.320 . 0 0 "[ . 1 .]" 5
259 3 41 ALA H 3 49 ILE MG 1.800 . 6.000 5.470 5.430 5.523 . 0 0 "[ . 1 .]" 5
260 3 25 LEU HA 3 41 ALA HA 1.800 . 2.200 1.821 1.763 1.855 0.037 4 0 "[ . 1 .]" 5
261 3 41 ALA HA 3 42 THR MG 1.800 . 5.300 4.932 4.900 4.946 . 0 0 "[ . 1 .]" 5
262 3 25 LEU QD 3 41 ALA HA 1.800 . 3.500 3.080 2.990 3.145 . 0 0 "[ . 1 .]" 5
263 3 41 ALA O 3 49 ILE H 1.800 . 3.200 2.799 2.708 3.041 . 0 0 "[ . 1 .]" 5
264 3 25 LEU HA 3 42 THR H 1.800 . 3.000 2.904 2.795 3.025 0.025 1 0 "[ . 1 .]" 5
265 3 25 LEU QD 3 42 THR H 1.800 . 4.500 4.178 4.045 4.258 . 0 0 "[ . 1 .]" 5
266 3 42 THR H 3 42 THR HB 1.800 . 3.500 3.269 3.231 3.365 . 0 0 "[ . 1 .]" 5
267 3 41 ALA HA 3 42 THR H 1.800 . 2.800 2.516 2.462 2.620 . 0 0 "[ . 1 .]" 5
268 3 24 SER QB 3 42 THR H 1.800 . 6.000 5.065 4.705 5.365 . 0 0 "[ . 1 .]" 5
269 3 41 ALA MB 3 42 THR H 1.800 . 2.800 2.195 2.077 2.252 . 0 0 "[ . 1 .]" 5
270 3 42 THR H 3 42 THR MG 1.800 . 4.500 3.952 3.937 3.986 . 0 0 "[ . 1 .]" 5
271 3 42 THR H 3 48 LYS HA 1.800 . 7.000 4.503 4.427 4.550 . 0 0 "[ . 1 .]" 5
272 3 24 SER H 3 42 THR H 1.800 . 3.500 3.517 3.460 3.558 0.058 3 0 "[ . 1 .]" 5
273 3 42 THR HA 3 48 LYS HA 1.800 . 2.800 2.326 2.261 2.358 . 0 0 "[ . 1 .]" 5
274 3 42 THR HA 3 48 LYS QB 1.800 . 4.500 3.864 2.837 4.044 . 0 0 "[ . 1 .]" 5
275 3 42 THR HA 3 48 LYS QG 1.800 . 5.500 2.217 2.049 3.291 . 0 0 "[ . 1 .]" 5
276 3 42 THR HA 3 48 LYS QD 1.800 . 5.500 3.838 3.563 5.072 . 0 0 "[ . 1 .]" 5
277 3 42 THR HA 3 42 THR MG 1.800 . 3.000 2.092 2.053 2.145 . 0 0 "[ . 1 .]" 5
278 3 42 THR HA 3 43 LEU QB 1.800 . 5.000 4.038 3.967 4.093 . 0 0 "[ . 1 .]" 5
279 3 42 THR HA 3 43 LEU HG 1.800 . 6.000 5.363 4.996 5.955 . 0 0 "[ . 1 .]" 5
280 3 42 THR HA 3 43 LEU QD 1.800 . 8.000 4.230 3.289 4.779 . 0 0 "[ . 1 .]" 5
281 3 24 SER H 3 42 THR O 1.600 . 2.300 2.529 2.474 2.582 0.282 5 0 "[ . 1 .]" 5
282 3 23 THR H 3 42 THR O 1.600 . 2.200 2.181 2.160 2.240 0.040 1 0 "[ . 1 .]" 5
283 3 42 THR HA 3 43 LEU H 1.800 . 2.800 2.241 2.200 2.274 . 0 0 "[ . 1 .]" 5
284 3 42 THR HB 3 43 LEU H 1.800 . 6.000 3.577 3.526 3.617 . 0 0 "[ . 1 .]" 5
285 3 42 THR MG 3 43 LEU H 1.800 . 2.800 2.551 2.531 2.575 . 0 0 "[ . 1 .]" 5
286 3 42 THR H 3 43 LEU H 1.800 . 6.000 4.323 4.255 4.355 . 0 0 "[ . 1 .]" 5
287 3 43 LEU H 3 48 LYS HA 1.800 . 3.500 3.630 3.178 3.709 0.209 10 0 "[ . 1 .]" 5
288 3 43 LEU H 3 46 GLY HA3 1.800 . 8.000 5.478 5.416 5.553 . 0 0 "[ . 1 .]" 5
289 3 43 LEU H 3 46 GLY H 1.800 . 6.000 5.586 5.523 5.705 . 0 0 "[ . 1 .]" 5
290 3 43 LEU H 3 44 LYS H 1.800 . 4.500 4.484 4.455 4.524 0.024 6 0 "[ . 1 .]" 5
291 3 43 LEU H 3 47 ARG H 1.800 . 2.800 2.476 2.360 2.570 . 0 0 "[ . 1 .]" 5
292 3 43 LEU HA 3 43 LEU QD 1.800 . 3.500 2.635 1.750 2.876 0.050 4 0 "[ . 1 .]" 5
293 3 43 LEU HA 3 47 ARG QG 1.800 . 7.000 4.679 4.168 6.463 . 0 0 "[ . 1 .]" 5
294 3 43 LEU HA 3 48 LYS QG 1.800 . 7.400 6.286 6.202 6.743 . 0 0 "[ . 1 .]" 5
295 3 22 ILE MD 3 43 LEU HA 1.800 . 6.000 2.754 1.925 4.504 . 0 0 "[ . 1 .]" 5
296 3 22 ILE QG 3 43 LEU HA 1.800 . 3.500 3.049 2.590 3.191 . 0 0 "[ . 1 .]" 5
297 3 23 THR MG 3 43 LEU HA 1.800 . 5.000 2.941 2.730 3.077 . 0 0 "[ . 1 .]" 5
298 3 22 ILE HA 3 43 LEU HA 1.800 . 5.000 2.024 1.924 2.280 . 0 0 "[ . 1 .]" 5
299 3 43 LEU O 3 47 ARG H 1.800 . 3.600 3.619 3.461 3.676 0.076 7 0 "[ . 1 .]" 5
300 3 43 LEU O 3 46 GLY H 1.800 . 3.600 4.027 3.975 4.104 0.504 12 1 "[ . 1 + .]" 5
301 3 43 LEU QD 3 47 ARG QG 1.800 . 5.500 2.915 2.424 4.487 . 0 0 "[ . 1 .]" 5
302 3 43 LEU HA 3 44 LYS H 1.800 . 2.800 2.698 2.670 2.733 . 0 0 "[ . 1 .]" 5
303 3 43 LEU QB 3 44 LYS H 1.800 . 6.000 2.058 1.924 2.192 . 0 0 "[ . 1 .]" 5
304 3 43 LEU HG 3 44 LYS H 1.800 . 3.900 3.438 3.074 3.851 . 0 0 "[ . 1 .]" 5
305 3 43 LEU QD 3 44 LYS H 1.800 . 6.000 2.096 1.852 2.603 . 0 0 "[ . 1 .]" 5
306 3 21 HIS HA 3 44 LYS H 1.800 . 6.000 5.192 4.736 5.775 . 0 0 "[ . 1 .]" 5
307 3 21 HIS HB3 3 44 LYS H 1.800 . 6.000 4.417 3.677 5.843 . 0 0 "[ . 1 .]" 5
308 3 21 HIS HB2 3 44 LYS H 1.800 . 4.500 3.393 2.775 4.514 0.014 3 0 "[ . 1 .]" 5
309 3 44 LYS HA 3 45 ASN H 1.800 . 3.500 3.521 3.490 3.540 0.040 4 0 "[ . 1 .]" 5
310 3 45 ASN H 3 46 GLY H 1.800 . 4.500 3.987 3.924 4.078 . 0 0 "[ . 1 .]" 5
311 3 46 GLY H 3 47 ARG H 1.800 . 3.900 3.905 3.874 3.923 0.023 7 0 "[ . 1 .]" 5
312 3 45 ASN HA 3 46 GLY H 1.800 . 4.500 2.249 2.221 2.267 . 0 0 "[ . 1 .]" 5
313 3 44 LYS HA 3 46 GLY H 1.800 . 6.000 4.465 4.374 4.664 . 0 0 "[ . 1 .]" 5
314 3 43 LEU QB 3 46 GLY H 1.800 . 8.000 4.985 4.936 5.070 . 0 0 "[ . 1 .]" 5
315 3 42 THR MG 3 46 GLY HA3 1.800 . 4.500 4.115 4.083 4.170 . 0 0 "[ . 1 .]" 5
316 3 42 THR MG 3 46 GLY HA2 1.800 . 3.500 2.960 2.903 3.022 . 0 0 "[ . 1 .]" 5
317 3 46 GLY HA3 3 47 ARG H 1.800 . 3.500 3.453 3.423 3.465 . 0 0 "[ . 1 .]" 5
318 3 42 THR HA 3 47 ARG H 1.800 . 8.000 3.889 3.845 4.069 . 0 0 "[ . 1 .]" 5
319 3 47 ARG H 3 47 ARG QD 1.800 . 8.000 3.897 3.446 4.445 . 0 0 "[ . 1 .]" 5
320 3 47 ARG H 3 47 ARG QB 1.800 . 3.500 2.999 2.493 3.113 . 0 0 "[ . 1 .]" 5
321 3 47 ARG H 3 47 ARG QG 1.800 . 3.200 2.207 1.937 2.834 . 0 0 "[ . 1 .]" 5
322 3 47 ARG H 3 48 LYS H 1.800 . 4.500 4.378 4.269 4.416 . 0 0 "[ . 1 .]" 5
323 3 43 LEU QD 3 47 ARG H 1.800 . 6.000 4.446 4.291 4.563 . 0 0 "[ . 1 .]" 5
324 3 43 LEU QB 3 47 ARG H 1.800 . 3.500 3.191 3.109 3.263 . 0 0 "[ . 1 .]" 5
325 3 45 ASN HB2 3 47 ARG H 1.800 . 5.000 4.515 4.418 4.677 . 0 0 "[ . 1 .]" 5
326 3 43 LEU H 3 47 ARG O 1.600 . 2.400 2.420 2.245 2.535 0.135 12 0 "[ . 1 .]" 5
327 3 42 THR HA 3 48 LYS H 1.800 . 6.000 4.715 4.532 4.774 . 0 0 "[ . 1 .]" 5
328 3 47 ARG QB 3 48 LYS H 1.800 . 4.500 2.264 1.901 2.475 . 0 0 "[ . 1 .]" 5
329 3 47 ARG HA 3 48 LYS H 1.800 . 2.800 2.676 2.604 2.858 0.058 4 0 "[ . 1 .]" 5
330 3 47 ARG QG 3 48 LYS H 1.800 . 3.900 3.128 2.825 3.522 . 0 0 "[ . 1 .]" 5
331 3 45 ASN HB2 3 48 LYS H 1.800 . 7.300 7.194 6.820 7.322 0.022 8 0 "[ . 1 .]" 5
332 3 48 LYS H 3 49 ILE H 1.800 . 4.500 4.130 4.014 4.232 . 0 0 "[ . 1 .]" 5
333 3 48 LYS H 3 48 LYS QG 1.800 . 4.900 3.785 3.520 4.179 . 0 0 "[ . 1 .]" 5
334 3 48 LYS H 3 48 LYS QD 1.800 . 4.300 3.091 2.418 3.848 . 0 0 "[ . 1 .]" 5
335 3 48 LYS HA 3 48 LYS QG 1.800 . 2.800 2.125 2.014 2.338 . 0 0 "[ . 1 .]" 5
336 3 48 LYS HA 3 48 LYS QD 1.800 . 4.000 3.425 3.344 3.582 . 0 0 "[ . 1 .]" 5
337 3 48 LYS HA 3 48 LYS QE 1.800 . 6.000 4.392 3.673 4.986 . 0 0 "[ . 1 .]" 5
338 3 41 ALA MB 3 48 LYS HA 1.800 . 6.000 4.090 4.036 4.166 . 0 0 "[ . 1 .]" 5
339 3 42 THR MG 3 48 LYS HA 1.800 . 5.300 3.372 3.345 3.393 . 0 0 "[ . 1 .]" 5
340 3 48 LYS HA 3 49 ILE QG 1.800 . 4.500 3.343 3.153 3.393 . 0 0 "[ . 1 .]" 5
341 3 48 LYS HA 3 49 ILE MG 1.800 . 4.500 4.021 3.832 4.072 . 0 0 "[ . 1 .]" 5
342 3 48 LYS HA 3 49 ILE MD 1.800 . 3.900 3.382 3.354 3.410 . 0 0 "[ . 1 .]" 5
343 3 48 LYS QG 3 49 ILE H 1.800 . 4.500 3.628 1.884 4.021 . 0 0 "[ . 1 .]" 5
344 3 48 LYS HA 3 49 ILE H 1.800 . 2.800 2.013 1.993 2.040 . 0 0 "[ . 1 .]" 5
345 3 48 LYS QB 3 49 ILE H 1.800 . 3.900 3.193 3.032 3.439 . 0 0 "[ . 1 .]" 5
346 3 42 THR HA 3 49 ILE H 1.800 . 3.500 3.649 3.579 3.678 0.178 5 0 "[ . 1 .]" 5
347 3 40 ILE HA 3 49 ILE H 1.800 . 8.000 5.287 5.182 5.387 . 0 0 "[ . 1 .]" 5
348 3 49 ILE H 3 49 ILE HB 1.800 . 3.500 3.653 3.630 3.698 0.198 4 0 "[ . 1 .]" 5
349 3 49 ILE H 3 49 ILE QG 1.800 . 4.500 2.078 2.010 2.213 . 0 0 "[ . 1 .]" 5
350 3 49 ILE H 3 49 ILE MG 1.800 . 3.500 3.091 3.012 3.164 . 0 0 "[ . 1 .]" 5
351 3 49 ILE H 3 49 ILE MD 1.800 . 4.500 1.791 1.758 1.803 0.042 1 0 "[ . 1 .]" 5
352 3 41 ALA MB 3 49 ILE H 1.800 . 4.500 3.206 3.148 3.286 . 0 0 "[ . 1 .]" 5
353 3 41 ALA H 3 49 ILE O 1.600 . 2.200 2.205 2.154 2.302 0.102 1 0 "[ . 1 .]" 5
354 3 49 ILE MD 3 51 LEU HG 1.800 . 2.800 2.637 2.567 2.666 . 0 0 "[ . 1 .]" 5
355 3 43 LEU QD 3 49 ILE QG 1.800 . 3.700 2.469 2.204 2.771 . 0 0 "[ . 1 .]" 5
356 3 49 ILE HA 3 50 CYS H 1.800 . 3.600 3.109 3.021 3.226 . 0 0 "[ . 1 .]" 5
357 3 49 ILE HB 3 50 CYS H 1.800 . 3.500 1.784 1.761 1.802 0.039 4 0 "[ . 1 .]" 5
358 3 49 ILE MD 3 50 CYS H 1.800 . 6.000 2.166 1.962 2.307 . 0 0 "[ . 1 .]" 5
359 3 14 THR MG 3 50 CYS H 1.800 . 6.000 3.116 2.714 3.275 . 0 0 "[ . 1 .]" 5
360 3 15 SER HA 3 50 CYS H 1.800 . 6.000 5.551 5.434 5.672 . 0 0 "[ . 1 .]" 5
361 3 50 CYS H 3 50 CYS HB3 1.800 . 3.500 3.229 3.174 3.344 . 0 0 "[ . 1 .]" 5
362 3 50 CYS H 3 50 CYS HB2 1.800 . 4.000 4.087 4.067 4.103 0.103 3 0 "[ . 1 .]" 5
363 3 50 CYS HA 3 50 CYS HB3 1.800 . 2.800 2.680 2.572 2.759 . 0 0 "[ . 1 .]" 5
364 3 50 CYS HA 3 51 LEU QB 1.800 . 4.500 4.123 4.089 4.149 . 0 0 "[ . 1 .]" 5
365 3 50 CYS HA 3 51 LEU HG 1.800 . 4.500 3.414 3.344 3.529 . 0 0 "[ . 1 .]" 5
366 3 39 LEU QB 3 50 CYS HA 1.800 . 5.300 4.814 4.746 4.922 . 0 0 "[ . 1 .]" 5
367 3 39 LEU HG 3 50 CYS HA 1.800 . 4.500 4.612 4.424 4.765 0.265 15 0 "[ . 1 .]" 5
368 3 39 LEU QD 3 50 CYS HA 1.800 . 6.000 4.033 3.151 4.654 . 0 0 "[ . 1 .]" 5
369 3 40 ILE MG 3 50 CYS HA 1.800 . 5.900 3.402 3.214 3.515 . 0 0 "[ . 1 .]" 5
370 3 40 ILE MD 3 50 CYS HA 1.800 . 6.000 3.044 2.845 3.146 . 0 0 "[ . 1 .]" 5
371 3 10 CYS HB3 3 50 CYS HA 1.800 . 8.000 5.778 5.280 6.277 . 0 0 "[ . 1 .]" 5
372 3 10 CYS HB3 3 50 CYS HB3 1.800 . 6.000 4.208 2.865 4.777 . 0 0 "[ . 1 .]" 5
373 3 10 CYS HB2 3 50 CYS HB3 1.800 . 6.000 3.321 2.788 3.969 . 0 0 "[ . 1 .]" 5
374 3 40 ILE MG 3 50 CYS HB3 1.800 . 3.500 3.083 2.741 3.274 . 0 0 "[ . 1 .]" 5
375 3 10 CYS HB3 3 50 CYS HB2 1.800 . 4.300 3.606 3.235 4.144 . 0 0 "[ . 1 .]" 5
376 3 10 CYS HB2 3 50 CYS HB2 1.800 . 3.500 3.171 2.368 3.721 0.221 1 0 "[ . 1 .]" 5
377 3 40 ILE MG 3 50 CYS HB2 1.800 . 3.500 3.370 3.299 3.474 . 0 0 "[ . 1 .]" 5
378 3 51 LEU H 3 51 LEU MD1 1.800 . 5.000 4.090 4.017 4.126 . 0 0 "[ . 1 .]" 5
379 3 51 LEU H 3 51 LEU MD2 1.800 . 5.000 3.731 3.665 3.821 . 0 0 "[ . 1 .]" 5
380 3 51 LEU H 3 51 LEU QB 1.800 . 2.800 2.498 2.435 2.528 . 0 0 "[ . 1 .]" 5
381 3 39 LEU QD 3 51 LEU H 1.800 . 4.500 2.616 1.949 3.159 . 0 0 "[ . 1 .]" 5
382 3 39 LEU HG 3 51 LEU H 1.800 . 4.500 3.416 2.751 3.947 . 0 0 "[ . 1 .]" 5
383 3 39 LEU QB 3 51 LEU H 1.800 . 6.000 3.411 3.069 3.903 . 0 0 "[ . 1 .]" 5
384 3 50 CYS HA 3 51 LEU H 1.800 . 2.800 2.189 2.137 2.245 . 0 0 "[ . 1 .]" 5
385 3 50 CYS HB3 3 51 LEU H 1.800 . 4.000 4.245 4.170 4.282 0.282 7 0 "[ . 1 .]" 5
386 3 50 CYS HB2 3 51 LEU H 1.800 . 6.000 3.153 3.044 3.229 . 0 0 "[ . 1 .]" 5
387 3 40 ILE HA 3 51 LEU H 1.800 . 4.500 3.382 3.150 3.493 . 0 0 "[ . 1 .]" 5
388 3 13 THR HA 3 51 LEU H 1.800 . 8.000 5.381 5.155 5.609 . 0 0 "[ . 1 .]" 5
389 3 13 THR HA 3 51 LEU HA 1.800 . 4.500 3.814 3.647 4.028 . 0 0 "[ . 1 .]" 5
390 3 51 LEU HA 3 52 ASP HB3 1.800 . 5.600 5.184 4.583 5.771 0.171 1 0 "[ . 1 .]" 5
391 3 51 LEU HA 3 52 ASP HB2 1.800 . 6.000 5.035 4.212 5.903 . 0 0 "[ . 1 .]" 5
392 3 51 LEU HA 3 51 LEU MD1 1.800 . 4.000 3.716 3.706 3.727 . 0 0 "[ . 1 .]" 5
393 3 51 LEU HA 3 51 LEU MD2 1.800 . 4.000 1.898 1.867 1.965 . 0 0 "[ . 1 .]" 5
394 3 13 THR MG 3 51 LEU HA 1.800 . 4.500 1.978 1.872 2.363 . 0 0 "[ . 1 .]" 5
395 3 13 THR HB 3 51 LEU HA 1.800 . 4.500 4.220 4.131 4.395 . 0 0 "[ . 1 .]" 5
396 3 39 LEU H 3 51 LEU O 1.800 . 4.000 3.427 2.861 3.855 . 0 0 "[ . 1 .]" 5
397 3 51 LEU MD2 3 57 LEU MD2 1.800 . 3.800 2.291 1.747 2.779 0.053 2 0 "[ . 1 .]" 5
398 3 51 LEU QB 3 57 LEU QB 1.800 . 6.000 4.244 3.811 4.958 . 0 0 "[ . 1 .]" 5
399 3 51 LEU HA 3 52 ASP H 1.800 . 2.800 2.665 2.533 2.887 0.087 3 0 "[ . 1 .]" 5
400 3 52 ASP H 3 52 ASP HB3 1.800 . 3.500 3.136 2.855 3.386 . 0 0 "[ . 1 .]" 5
401 3 13 THR MG 3 52 ASP HB3 1.800 . 3.500 2.512 1.771 3.183 0.029 2 0 "[ . 1 .]" 5
402 3 13 THR MG 3 52 ASP HB2 1.800 . 3.500 2.414 1.752 3.143 0.048 3 0 "[ . 1 .]" 5
403 3 52 ASP HB2 3 56 PRO HB3 1.800 . 10.200 10.195 10.036 10.266 0.066 7 0 "[ . 1 .]" 5
404 3 52 ASP HB3 3 54 GLN QB 1.800 . 6.000 4.426 2.856 5.375 . 0 0 "[ . 1 .]" 5
405 3 52 ASP HB2 3 54 GLN QB 1.800 . 6.000 4.482 3.495 5.386 . 0 0 "[ . 1 .]" 5
406 3 52 ASP HB3 3 53 LEU H 1.800 . 4.500 2.902 2.061 3.753 . 0 0 "[ . 1 .]" 5
407 3 52 ASP HB2 3 53 LEU H 1.800 . 3.500 2.968 2.031 3.754 0.254 15 0 "[ . 1 .]" 5
408 3 55 ALA H 3 58 TYR QD 1.800 . 4.300 3.067 2.696 3.523 . 0 0 "[ . 1 .]" 5
409 3 55 ALA H 3 58 TYR QE 1.800 . 4.000 3.040 2.574 3.568 . 0 0 "[ . 1 .]" 5
410 3 56 PRO HA 3 59 LYS QB 1.800 . 6.000 2.168 1.905 4.221 . 0 0 "[ . 1 .]" 5
411 3 56 PRO O 3 60 LYS H 1.800 . 3.500 2.606 2.333 3.091 . 0 0 "[ . 1 .]" 5
412 3 56 PRO HB3 3 59 LYS QG 1.800 . 6.500 4.889 4.087 5.393 . 0 0 "[ . 1 .]" 5
413 3 56 PRO HB2 3 59 LYS QG 1.800 . 6.500 5.295 4.571 5.793 . 0 0 "[ . 1 .]" 5
414 3 56 PRO HA 3 57 LEU H 1.800 . 4.200 3.388 3.336 3.638 . 0 0 "[ . 1 .]" 5
415 3 57 LEU HA 3 60 LYS QB 1.800 . 3.500 3.190 3.160 3.233 . 0 0 "[ . 1 .]" 5
416 3 57 LEU H 3 59 LYS H 1.800 . 6.000 3.655 3.492 4.074 . 0 0 "[ . 1 .]" 5
417 3 57 LEU O 3 61 ILE H 1.800 . 2.800 2.811 2.658 2.866 0.066 10 0 "[ . 1 .]" 5
418 3 51 LEU QB 3 57 LEU HG 1.800 . 4.500 3.969 3.811 4.028 . 0 0 "[ . 1 .]" 5
419 3 19 PRO QG 3 57 LEU MD2 1.800 . 6.500 4.364 3.284 5.253 . 0 0 "[ . 1 .]" 5
420 3 19 PRO QB 3 57 LEU MD1 1.800 . 4.500 3.866 3.478 4.069 . 0 0 "[ . 1 .]" 5
421 3 19 PRO QG 3 57 LEU MD1 1.800 . 5.000 2.519 1.928 3.315 . 0 0 "[ . 1 .]" 5
422 3 57 LEU HA 3 58 TYR H 1.800 . 4.500 3.589 3.576 3.598 . 0 0 "[ . 1 .]" 5
423 3 57 LEU H 3 58 TYR H 1.800 . 2.800 2.793 2.708 2.862 0.062 3 0 "[ . 1 .]" 5
424 3 58 TYR H 3 58 TYR HB2 1.800 . 3.400 3.555 3.522 3.600 0.200 10 0 "[ . 1 .]" 5
425 3 58 TYR H 3 60 LYS H 1.800 . 6.000 4.094 4.003 4.171 . 0 0 "[ . 1 .]" 5
426 3 58 TYR HA 3 61 ILE HB 1.800 . 2.800 2.565 2.215 2.650 . 0 0 "[ . 1 .]" 5
427 3 58 TYR HA 3 61 ILE MD 1.800 . 4.500 2.141 1.879 2.368 . 0 0 "[ . 1 .]" 5
428 3 58 TYR HA 3 61 ILE H 1.800 . 4.500 2.942 2.808 3.027 . 0 0 "[ . 1 .]" 5
429 3 58 TYR QD 3 61 ILE QG 1.800 . 6.000 5.377 5.358 5.417 . 0 0 "[ . 1 .]" 5
430 3 58 TYR QD 3 61 ILE MG 1.800 . 4.500 4.110 4.096 4.153 . 0 0 "[ . 1 .]" 5
431 3 58 TYR QD 3 61 ILE MD 1.800 . 4.500 4.022 4.008 4.028 . 0 0 "[ . 1 .]" 5
432 3 58 TYR HA 3 58 TYR QD 1.800 . 4.300 3.671 3.638 3.681 . 0 0 "[ . 1 .]" 5
433 3 57 LEU HA 3 58 TYR QD 1.800 . 6.000 5.426 5.398 5.481 . 0 0 "[ . 1 .]" 5
434 3 58 TYR HB2 3 58 TYR QD 1.800 . 2.800 2.332 2.314 2.354 . 0 0 "[ . 1 .]" 5
435 3 58 TYR O 3 62 ILE H 1.800 . 2.800 2.094 2.075 2.125 . 0 0 "[ . 1 .]" 5
436 3 27 VAL QG 3 58 TYR QD 1.800 . 8.500 4.175 3.592 4.897 . 0 0 "[ . 1 .]" 5
437 3 39 LEU QD 3 58 TYR QD 1.800 . 7.000 3.236 2.790 3.668 . 0 0 "[ . 1 .]" 5
438 3 39 LEU QD 3 58 TYR HB3 1.800 . 3.800 3.302 2.799 3.413 . 0 0 "[ . 1 .]" 5
439 3 39 LEU QD 3 58 TYR HB2 1.800 . 3.800 2.972 2.485 3.404 . 0 0 "[ . 1 .]" 5
440 3 51 LEU QB 3 58 TYR HB3 1.800 . 5.500 2.949 2.458 3.388 . 0 0 "[ . 1 .]" 5
441 3 51 LEU QB 3 58 TYR HB2 1.800 . 5.500 3.394 3.137 3.834 . 0 0 "[ . 1 .]" 5
442 3 58 TYR HA 3 59 LYS H 1.800 . 4.500 3.462 3.443 3.510 . 0 0 "[ . 1 .]" 5
443 3 56 PRO QD 3 59 LYS H 1.800 . 6.000 5.343 5.002 5.392 . 0 0 "[ . 1 .]" 5
444 3 58 TYR H 3 59 LYS H 1.800 . 2.800 2.536 2.443 2.641 . 0 0 "[ . 1 .]" 5
445 3 59 LYS H 3 61 ILE H 1.800 . 5.000 3.876 3.733 3.976 . 0 0 "[ . 1 .]" 5
446 3 59 LYS H 3 59 LYS QB 1.800 . 3.500 2.213 2.089 2.437 . 0 0 "[ . 1 .]" 5
447 3 59 LYS H 3 59 LYS QG 1.800 . 4.500 3.487 2.403 3.998 . 0 0 "[ . 1 .]" 5
448 3 59 LYS H 3 62 ILE H 1.800 . 4.800 4.946 4.787 5.036 0.236 3 0 "[ . 1 .]" 5
449 3 59 LYS HA 3 62 ILE HB 1.800 . 2.800 2.885 2.856 2.928 0.128 11 0 "[ . 1 .]" 5
450 3 59 LYS HA 3 62 ILE MD 1.800 . 4.500 2.851 2.511 3.287 . 0 0 "[ . 1 .]" 5
451 3 59 LYS HA 3 63 LYS H 1.800 . 3.800 3.699 3.585 3.789 . 0 0 "[ . 1 .]" 5
452 3 59 LYS HA 3 60 LYS H 1.800 . 4.500 3.463 3.444 3.481 . 0 0 "[ . 1 .]" 5
453 3 59 LYS H 3 60 LYS H 1.800 . 2.800 2.499 2.444 2.557 . 0 0 "[ . 1 .]" 5
454 3 60 LYS H 3 62 ILE H 1.800 . 6.000 4.291 3.940 4.404 . 0 0 "[ . 1 .]" 5
455 3 56 PRO QD 3 60 LYS H 1.800 . 8.000 6.589 6.487 6.654 . 0 0 "[ . 1 .]" 5
456 3 60 LYS H 3 60 LYS QB 1.800 . 3.500 2.175 2.104 2.351 . 0 0 "[ . 1 .]" 5
457 3 60 LYS H 3 60 LYS QG 1.800 . 3.500 3.006 2.640 3.157 . 0 0 "[ . 1 .]" 5
458 3 60 LYS H 3 60 LYS QD 1.800 . 6.000 4.282 3.203 4.619 . 0 0 "[ . 1 .]" 5
459 3 60 LYS HA 3 63 LYS H 1.800 . 3.500 3.560 3.472 3.620 0.120 3 0 "[ . 1 .]" 5
460 3 60 LYS HA 3 63 LYS QB 1.800 . 2.800 2.407 2.222 2.608 . 0 0 "[ . 1 .]" 5
461 3 60 LYS HA 3 60 LYS QG 1.800 . 4.500 2.535 1.996 3.442 . 0 0 "[ . 1 .]" 5
462 3 60 LYS O 3 64 LYS H 1.800 . 2.800 2.177 2.143 2.221 . 0 0 "[ . 1 .]" 5
463 3 60 LYS HA 3 61 ILE H 1.800 . 3.500 3.468 3.421 3.486 . 0 0 "[ . 1 .]" 5
464 3 58 TYR HB2 3 61 ILE H 1.800 . 6.000 4.702 4.616 4.802 . 0 0 "[ . 1 .]" 5
465 3 60 LYS H 3 61 ILE H 1.800 . 2.800 2.302 2.225 2.345 . 0 0 "[ . 1 .]" 5
466 3 61 ILE H 3 63 LYS H 1.800 . 6.000 3.830 3.652 4.059 . 0 0 "[ . 1 .]" 5
467 3 61 ILE H 3 61 ILE HB 1.800 . 2.800 2.266 2.254 2.276 . 0 0 "[ . 1 .]" 5
468 3 61 ILE H 3 61 ILE MG 1.800 . 4.500 3.700 3.692 3.706 . 0 0 "[ . 1 .]" 5
469 3 61 ILE H 3 61 ILE MD 1.800 . 6.000 3.555 3.448 3.635 . 0 0 "[ . 1 .]" 5
470 3 61 ILE H 3 61 ILE QG 1.800 . 4.500 2.489 2.419 2.603 . 0 0 "[ . 1 .]" 5
471 3 61 ILE O 3 65 LEU H 1.800 . 2.800 2.223 2.169 2.469 . 0 0 "[ . 1 .]" 5
472 3 61 ILE HA 3 64 LYS QB 1.800 . 2.800 2.519 2.489 2.545 . 0 0 "[ . 1 .]" 5
473 3 61 ILE HA 3 61 ILE MG 1.800 . 4.500 2.536 2.510 2.559 . 0 0 "[ . 1 .]" 5
474 3 61 ILE HA 3 61 ILE MD 1.800 . 6.000 3.799 3.785 3.810 . 0 0 "[ . 1 .]" 5
475 3 61 ILE HA 3 61 ILE QG 1.800 . 4.500 2.325 2.310 2.342 . 0 0 "[ . 1 .]" 5
476 3 61 ILE HA 3 65 LEU QD 1.800 . 6.000 4.056 3.414 5.396 . 0 0 "[ . 1 .]" 5
477 3 61 ILE HA 3 63 LYS H 1.800 . 6.000 4.522 4.382 4.865 . 0 0 "[ . 1 .]" 5
478 3 61 ILE HA 3 64 LYS H 1.800 . 4.000 3.464 3.377 3.666 . 0 0 "[ . 1 .]" 5
479 3 61 ILE HA 3 62 ILE H 1.800 . 4.500 3.582 3.537 3.592 . 0 0 "[ . 1 .]" 5
480 3 51 LEU MD1 3 61 ILE MD 1.800 . 4.000 1.755 1.625 1.876 0.175 3 0 "[ . 1 .]" 5
481 3 25 LEU QD 3 61 ILE MD 1.800 . 6.500 2.592 2.356 2.915 . 0 0 "[ . 1 .]" 5
482 3 19 PRO QB 3 61 ILE MD 1.800 . 4.000 2.909 2.431 3.396 . 0 0 "[ . 1 .]" 5
483 3 62 ILE H 3 63 LYS H 1.800 . 2.800 2.692 2.448 2.750 . 0 0 "[ . 1 .]" 5
484 3 59 LYS HA 3 62 ILE H 1.800 . 4.500 3.360 3.255 3.477 . 0 0 "[ . 1 .]" 5
485 3 62 ILE H 3 64 LYS H 1.800 . 6.000 3.991 3.561 4.166 . 0 0 "[ . 1 .]" 5
486 3 60 LYS HA 3 62 ILE H 1.800 . 6.000 4.817 4.244 4.985 . 0 0 "[ . 1 .]" 5
487 3 62 ILE H 3 62 ILE HB 1.800 . 3.500 2.472 2.414 2.525 . 0 0 "[ . 1 .]" 5
488 3 62 ILE H 3 62 ILE MG 1.800 . 4.500 3.760 3.755 3.766 . 0 0 "[ . 1 .]" 5
489 3 62 ILE H 3 62 ILE MD 1.800 . 4.500 3.272 2.876 3.668 . 0 0 "[ . 1 .]" 5
490 3 62 ILE HA 3 65 LEU H 1.800 . 4.000 3.176 3.105 3.300 . 0 0 "[ . 1 .]" 5
491 3 62 ILE HA 3 65 LEU HG 1.800 . 3.500 3.502 3.304 3.747 0.247 13 0 "[ . 1 .]" 5
492 3 62 ILE HA 3 65 LEU QB 1.800 . 2.800 2.410 2.073 2.526 . 0 0 "[ . 1 .]" 5
493 3 62 ILE HA 3 65 LEU QD 1.800 . 3.500 2.403 1.936 3.123 . 0 0 "[ . 1 .]" 5
494 3 62 ILE HA 3 66 LEU MD1 1.800 . 6.000 3.865 3.648 4.020 . 0 0 "[ . 1 .]" 5
495 3 62 ILE HA 3 62 ILE MG 1.800 . 3.500 2.372 2.325 2.436 . 0 0 "[ . 1 .]" 5
496 3 62 ILE HA 3 62 ILE MD 1.800 . 4.500 3.823 3.782 3.845 . 0 0 "[ . 1 .]" 5
497 3 62 ILE O 3 66 LEU H 1.800 . 2.800 2.168 2.142 2.183 . 0 0 "[ . 1 .]" 5
498 3 25 LEU QD 3 62 ILE QG 1.800 . 3.800 3.362 3.212 3.513 . 0 0 "[ . 1 .]" 5
499 3 63 LYS H 3 64 LYS H 1.800 . 2.800 2.607 2.544 2.689 . 0 0 "[ . 1 .]" 5
500 3 63 LYS H 3 65 LEU H 1.800 . 4.500 3.905 3.828 3.997 . 0 0 "[ . 1 .]" 5
501 3 63 LYS H 3 63 LYS QB 1.800 . 3.500 2.216 2.107 2.347 . 0 0 "[ . 1 .]" 5
502 3 63 LYS H 3 63 LYS QG 1.800 . 3.500 2.837 2.487 3.167 . 0 0 "[ . 1 .]" 5
503 3 63 LYS HA 3 66 LEU H 1.800 . 3.500 3.235 3.175 3.305 . 0 0 "[ . 1 .]" 5
504 3 63 LYS HA 3 66 LEU MD1 1.800 . 4.000 1.894 1.782 2.121 0.018 12 0 "[ . 1 .]" 5
505 3 63 LYS HA 3 66 LEU MD2 1.800 . 6.000 4.464 4.256 4.709 . 0 0 "[ . 1 .]" 5
506 3 63 LYS HA 3 66 LEU QB 1.800 . 2.800 2.569 2.538 2.606 . 0 0 "[ . 1 .]" 5
507 3 63 LYS O 3 67 GLU H 1.800 . 2.800 2.154 2.089 2.174 . 0 0 "[ . 1 .]" 5
508 3 63 LYS HA 3 64 LYS H 1.800 . 4.500 3.515 3.493 3.551 . 0 0 "[ . 1 .]" 5
509 3 62 ILE HA 3 64 LYS H 1.800 . 4.500 4.147 3.950 4.486 . 0 0 "[ . 1 .]" 5
510 3 60 LYS HA 3 64 LYS H 1.800 . 4.500 3.952 3.675 4.113 . 0 0 "[ . 1 .]" 5
511 3 61 ILE H 3 64 LYS H 1.800 . 4.500 4.428 4.313 4.501 0.001 9 0 "[ . 1 .]" 5
512 3 64 LYS H 3 66 LEU H 1.800 . 6.000 3.935 3.809 4.103 . 0 0 "[ . 1 .]" 5
513 3 64 LYS H 3 64 LYS QB 1.800 . 3.500 2.163 2.080 2.280 . 0 0 "[ . 1 .]" 5
514 3 63 LYS QB 3 64 LYS H 1.800 . 3.500 2.912 2.669 3.244 . 0 0 "[ . 1 .]" 5
515 3 64 LYS HA 3 67 GLU H 1.800 . 4.000 3.512 3.443 3.596 . 0 0 "[ . 1 .]" 5
516 3 64 LYS HA 3 67 GLU QB 1.800 . 3.600 3.243 3.193 3.436 . 0 0 "[ . 1 .]" 5
517 3 64 LYS HA 3 67 GLU QG 1.800 . 4.500 2.119 1.747 3.212 0.053 7 0 "[ . 1 .]" 5
518 3 64 LYS H 3 65 LEU H 1.800 . 2.800 2.467 2.328 2.642 . 0 0 "[ . 1 .]" 5
519 3 65 LEU H 3 67 GLU H 1.800 . 6.000 4.035 3.797 4.142 . 0 0 "[ . 1 .]" 5
520 3 65 LEU H 3 66 LEU H 1.800 . 2.800 2.347 2.249 2.418 . 0 0 "[ . 1 .]" 5
521 3 64 LYS HA 3 65 LEU H 1.800 . 4.500 3.475 3.441 3.493 . 0 0 "[ . 1 .]" 5
522 3 64 LYS QB 3 65 LEU H 1.800 . 3.500 2.957 2.889 3.064 . 0 0 "[ . 1 .]" 5
523 3 61 ILE HA 3 65 LEU H 1.800 . 8.000 4.527 4.315 4.668 . 0 0 "[ . 1 .]" 5
524 3 65 LEU H 3 65 LEU QB 1.800 . 2.800 2.275 2.073 2.408 . 0 0 "[ . 1 .]" 5
525 3 65 LEU H 3 65 LEU QD 1.800 . 4.500 2.945 2.233 3.692 . 0 0 "[ . 1 .]" 5
526 3 65 LEU HA 3 67 GLU QG 1.800 . 4.500 3.834 3.686 4.200 . 0 0 "[ . 1 .]" 5
527 3 65 LEU HA 3 65 LEU QD 1.800 . 4.500 2.007 1.758 2.261 0.042 14 0 "[ . 1 .]" 5
528 3 25 LEU QD 3 65 LEU QD 1.800 . 4.500 3.449 2.661 4.053 . 0 0 "[ . 1 .]" 5
529 3 22 ILE MG 3 65 LEU QD 1.800 . 4.500 2.942 2.218 4.048 . 0 0 "[ . 1 .]" 5
530 3 65 LEU HA 3 66 LEU H 1.800 . 4.500 3.476 3.455 3.512 . 0 0 "[ . 1 .]" 5
531 3 65 LEU QB 3 66 LEU H 1.800 . 3.500 2.918 2.744 3.139 . 0 0 "[ . 1 .]" 5
532 3 66 LEU H 3 67 GLU H 1.800 . 2.800 2.412 2.272 2.532 . 0 0 "[ . 1 .]" 5
533 3 66 LEU H 3 67 GLU QG 1.800 . 6.000 3.747 3.268 3.920 . 0 0 "[ . 1 .]" 5
534 3 66 LEU H 3 66 LEU QB 1.800 . 3.500 2.264 2.211 2.343 . 0 0 "[ . 1 .]" 5
535 3 66 LEU H 3 66 LEU MD1 1.800 . 4.500 2.865 2.646 3.081 . 0 0 "[ . 1 .]" 5
536 3 66 LEU HA 3 66 LEU MD1 1.800 . 4.500 3.685 3.617 3.789 . 0 0 "[ . 1 .]" 5
537 3 66 LEU HA 3 66 LEU MD2 1.800 . 3.000 2.694 2.635 2.728 . 0 0 "[ . 1 .]" 5
538 3 67 GLU H 3 68 SER H 1.800 . 3.500 2.838 2.790 2.909 . 0 0 "[ . 1 .]" 5
539 3 65 LEU HA 3 67 GLU H 1.800 . 4.500 4.500 4.144 4.574 0.074 11 0 "[ . 1 .]" 5
540 3 66 LEU HA 3 67 GLU H 1.800 . 4.000 3.534 3.470 3.549 . 0 0 "[ . 1 .]" 5
541 3 67 GLU H 3 67 GLU QB 1.800 . 3.500 2.445 2.363 2.813 . 0 0 "[ . 1 .]" 5
542 3 67 GLU H 3 67 GLU QG 1.800 . 2.800 2.364 1.835 2.495 . 0 0 "[ . 1 .]" 5
543 3 66 LEU QB 3 67 GLU H 1.800 . 3.500 2.564 2.490 2.650 . 0 0 "[ . 1 .]" 5
544 3 66 LEU MD1 3 67 GLU H 1.800 . 4.500 4.112 4.089 4.164 . 0 0 "[ . 1 .]" 5
545 3 67 GLU HA 3 68 SER H 1.800 . 4.000 3.497 3.479 3.547 . 0 0 "[ . 1 .]" 5
546 3 67 GLU QG 3 68 SER H 1.800 . 4.500 2.100 1.933 3.596 . 0 0 "[ . 1 .]" 5
547 3 68 SER H 3 68 SER QB 1.800 . 3.500 2.554 2.189 3.127 . 0 0 "[ . 1 .]" 5
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