NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632001 |
6eka   |
34178 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6eka
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 998
_Distance_constraint_stats_list.Viol_count 340
_Distance_constraint_stats_list.Viol_total 363.916
_Distance_constraint_stats_list.Viol_max 0.792
_Distance_constraint_stats_list.Viol_rms 0.0307
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.1070
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 GLN 0.608 0.562 6 1 "[ .+ 1]"
1 15 LYS 1.381 0.399 3 0 "[ . 1]"
1 16 PHE 0.000 0.000 . 0 "[ . 1]"
1 17 GLY 0.043 0.043 8 0 "[ . 1]"
1 18 GLU 0.000 0.000 . 0 "[ . 1]"
1 19 MET 1.216 0.144 6 0 "[ . 1]"
1 20 LYS 0.000 0.000 . 0 "[ . 1]"
1 21 THR 0.855 0.118 10 0 "[ . 1]"
1 22 ASP 0.000 0.000 . 0 "[ . 1]"
1 24 HIS 0.000 0.000 . 0 "[ . 1]"
1 25 SER 0.385 0.071 7 0 "[ . 1]"
1 26 ILE 0.654 0.459 8 0 "[ . 1]"
1 27 ALA 0.691 0.144 6 0 "[ . 1]"
1 28 MET 0.087 0.037 7 0 "[ . 1]"
1 29 GLN 1.989 0.562 6 1 "[ .+ 1]"
1 30 GLY 0.000 0.000 . 0 "[ . 1]"
1 31 ILE 0.779 0.140 3 0 "[ . 1]"
1 32 VAL 0.087 0.037 7 0 "[ . 1]"
1 41 GLN 0.000 0.000 . 0 "[ . 1]"
1 42 SER 0.000 0.000 . 0 "[ . 1]"
1 43 PHE 0.150 0.090 2 0 "[ . 1]"
1 45 SER 0.043 0.043 8 0 "[ . 1]"
1 46 LEU 0.000 0.000 . 0 "[ . 1]"
1 47 THR 0.000 0.000 . 0 "[ . 1]"
1 48 THR 0.238 0.122 2 0 "[ . 1]"
1 49 THR 0.000 0.000 . 0 "[ . 1]"
1 50 LYS 0.000 0.000 . 0 "[ . 1]"
1 51 SER 0.000 0.000 . 0 "[ . 1]"
1 52 SER 0.832 0.459 8 0 "[ . 1]"
1 54 ALA 0.385 0.071 7 0 "[ . 1]"
1 55 PHE 0.000 0.000 . 0 "[ . 1]"
1 56 GLN 1.639 0.792 9 1 "[ . +1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 GLN 0.000 0.000 . 0 "[ . 1]"
1 59 MET 0.506 0.122 3 0 "[ . 1]"
1 61 ALA 0.779 0.140 3 0 "[ . 1]"
1 64 PHE 0.000 0.000 . 0 "[ . 1]"
2 14 GLN 2.119 0.792 9 2 "[ .- +1]"
2 15 LYS 1.374 0.399 3 0 "[ . 1]"
2 16 PHE 0.000 0.000 . 0 "[ . 1]"
2 17 GLY 0.036 0.036 8 0 "[ . 1]"
2 18 GLU 0.000 0.000 . 0 "[ . 1]"
2 19 MET 1.322 0.150 6 0 "[ . 1]"
2 20 LYS 0.000 0.000 . 0 "[ . 1]"
2 21 THR 0.823 0.116 10 0 "[ . 1]"
2 22 ASP 0.000 0.000 . 0 "[ . 1]"
2 23 ASP 0.149 0.122 2 0 "[ . 1]"
2 24 HIS 0.090 0.054 6 0 "[ . 1]"
2 25 SER 0.401 0.073 7 0 "[ . 1]"
2 26 ILE 0.658 0.464 8 0 "[ . 1]"
2 27 ALA 0.728 0.150 6 0 "[ . 1]"
2 28 MET 0.080 0.036 7 0 "[ . 1]"
2 29 GLN 2.447 0.568 6 1 "[ .+ 1]"
2 30 GLY 0.000 0.000 . 0 "[ . 1]"
2 31 ILE 0.781 0.142 3 0 "[ . 1]"
2 32 VAL 0.080 0.036 7 0 "[ . 1]"
2 41 GLN 0.000 0.000 . 0 "[ . 1]"
2 42 SER 0.000 0.000 . 0 "[ . 1]"
2 43 PHE 0.159 0.095 2 0 "[ . 1]"
2 45 SER 0.036 0.036 8 0 "[ . 1]"
2 46 LEU 0.000 0.000 . 0 "[ . 1]"
2 47 THR 0.000 0.000 . 0 "[ . 1]"
2 48 THR 0.157 0.121 2 0 "[ . 1]"
2 49 THR 0.000 0.000 . 0 "[ . 1]"
2 50 LYS 0.000 0.000 . 0 "[ . 1]"
2 51 SER 0.000 0.000 . 0 "[ . 1]"
2 52 SER 0.836 0.464 8 0 "[ . 1]"
2 54 ALA 0.401 0.073 7 0 "[ . 1]"
2 55 PHE 0.000 0.000 . 0 "[ . 1]"
2 56 GLN 1.591 0.747 9 1 "[ . +1]"
2 57 GLY 0.000 0.000 . 0 "[ . 1]"
2 58 GLN 0.000 0.000 . 0 "[ . 1]"
2 59 MET 0.418 0.100 4 0 "[ . 1]"
2 61 ALA 0.781 0.142 3 0 "[ . 1]"
2 64 PHE 0.000 0.000 . 0 "[ . 1]"
3 14 GLN 2.084 0.747 9 2 "[ .- +1]"
3 15 LYS 1.386 0.399 3 0 "[ . 1]"
3 16 PHE 0.000 0.000 . 0 "[ . 1]"
3 17 GLY 0.038 0.038 8 0 "[ . 1]"
3 18 GLU 0.000 0.000 . 0 "[ . 1]"
3 19 MET 1.312 0.151 6 0 "[ . 1]"
3 20 LYS 0.000 0.000 . 0 "[ . 1]"
3 21 THR 0.815 0.114 10 0 "[ . 1]"
3 22 ASP 0.000 0.000 . 0 "[ . 1]"
3 23 ASP 0.132 0.121 2 0 "[ . 1]"
3 24 HIS 0.025 0.025 6 0 "[ . 1]"
3 25 SER 0.397 0.069 7 0 "[ . 1]"
3 26 ILE 0.649 0.463 8 0 "[ . 1]"
3 27 ALA 0.729 0.151 6 0 "[ . 1]"
3 28 MET 0.075 0.032 7 0 "[ . 1]"
3 29 GLN 2.368 0.569 6 1 "[ .+ 1]"
3 30 GLY 0.000 0.000 . 0 "[ . 1]"
3 31 ILE 0.787 0.144 3 0 "[ . 1]"
3 32 VAL 0.075 0.032 7 0 "[ . 1]"
3 41 GLN 0.000 0.000 . 0 "[ . 1]"
3 42 SER 0.000 0.000 . 0 "[ . 1]"
3 43 PHE 0.163 0.094 2 0 "[ . 1]"
3 45 SER 0.038 0.038 8 0 "[ . 1]"
3 46 LEU 0.000 0.000 . 0 "[ . 1]"
3 47 THR 0.000 0.000 . 0 "[ . 1]"
3 48 THR 0.205 0.097 2 0 "[ . 1]"
3 49 THR 0.000 0.000 . 0 "[ . 1]"
3 50 LYS 0.000 0.000 . 0 "[ . 1]"
3 51 SER 0.000 0.000 . 0 "[ . 1]"
3 52 SER 0.826 0.463 8 0 "[ . 1]"
3 54 ALA 0.397 0.069 7 0 "[ . 1]"
3 55 PHE 0.000 0.000 . 0 "[ . 1]"
3 56 GLN 1.502 0.719 9 1 "[ . +1]"
3 57 GLY 0.000 0.000 . 0 "[ . 1]"
3 58 GLN 0.000 0.000 . 0 "[ . 1]"
3 59 MET 0.493 0.118 9 0 "[ . 1]"
3 61 ALA 0.787 0.144 3 0 "[ . 1]"
3 64 PHE 0.000 0.000 . 0 "[ . 1]"
4 14 GLN 2.018 0.719 9 2 "[ .- +1]"
4 15 LYS 1.393 0.399 3 0 "[ . 1]"
4 16 PHE 0.000 0.000 . 0 "[ . 1]"
4 17 GLY 0.038 0.038 8 0 "[ . 1]"
4 18 GLU 0.000 0.000 . 0 "[ . 1]"
4 19 MET 1.287 0.150 6 0 "[ . 1]"
4 20 LYS 0.000 0.000 . 0 "[ . 1]"
4 21 THR 0.824 0.116 10 0 "[ . 1]"
4 22 ASP 0.000 0.000 . 0 "[ . 1]"
4 23 ASP 0.128 0.097 2 0 "[ . 1]"
4 24 HIS 0.077 0.050 6 0 "[ . 1]"
4 25 SER 0.394 0.072 7 0 "[ . 1]"
4 26 ILE 0.663 0.464 8 0 "[ . 1]"
4 27 ALA 0.731 0.150 6 0 "[ . 1]"
4 28 MET 0.079 0.035 7 0 "[ . 1]"
4 29 GLN 2.442 0.568 6 1 "[ .+ 1]"
4 30 GLY 0.000 0.000 . 0 "[ . 1]"
4 31 ILE 0.789 0.142 3 0 "[ . 1]"
4 32 VAL 0.079 0.035 7 0 "[ . 1]"
4 41 GLN 0.000 0.000 . 0 "[ . 1]"
4 42 SER 0.000 0.000 . 0 "[ . 1]"
4 43 PHE 0.177 0.096 2 0 "[ . 1]"
4 45 SER 0.038 0.038 8 0 "[ . 1]"
4 46 LEU 0.000 0.000 . 0 "[ . 1]"
4 47 THR 0.000 0.000 . 0 "[ . 1]"
4 48 THR 0.251 0.123 2 0 "[ . 1]"
4 49 THR 0.000 0.000 . 0 "[ . 1]"
4 50 LYS 0.000 0.000 . 0 "[ . 1]"
4 51 SER 0.000 0.000 . 0 "[ . 1]"
4 52 SER 0.837 0.464 8 0 "[ . 1]"
4 54 ALA 0.394 0.072 7 0 "[ . 1]"
4 55 PHE 0.000 0.000 . 0 "[ . 1]"
4 56 GLN 1.566 0.707 9 1 "[ . +1]"
4 57 GLY 0.000 0.000 . 0 "[ . 1]"
4 58 GLN 0.000 0.000 . 0 "[ . 1]"
4 59 MET 0.446 0.109 9 0 "[ . 1]"
4 61 ALA 0.789 0.142 3 0 "[ . 1]"
4 64 PHE 0.000 0.000 . 0 "[ . 1]"
5 14 GLN 2.083 0.707 9 2 "[ .- +1]"
5 15 LYS 1.407 0.398 3 0 "[ . 1]"
5 16 PHE 0.000 0.000 . 0 "[ . 1]"
5 17 GLY 0.039 0.039 8 0 "[ . 1]"
5 18 GLU 0.000 0.000 . 0 "[ . 1]"
5 19 MET 1.294 0.152 6 0 "[ . 1]"
5 20 LYS 0.000 0.000 . 0 "[ . 1]"
5 21 THR 0.818 0.117 10 0 "[ . 1]"
5 22 ASP 0.000 0.000 . 0 "[ . 1]"
5 23 ASP 0.158 0.123 2 0 "[ . 1]"
5 24 HIS 0.093 0.058 6 0 "[ . 1]"
5 25 SER 0.389 0.070 7 0 "[ . 1]"
5 26 ILE 0.675 0.472 8 0 "[ . 1]"
5 27 ALA 0.735 0.152 6 0 "[ . 1]"
5 28 MET 0.077 0.034 7 0 "[ . 1]"
5 29 GLN 2.394 0.568 6 1 "[ .+ 1]"
5 30 GLY 0.000 0.000 . 0 "[ . 1]"
5 31 ILE 0.784 0.140 3 0 "[ . 1]"
5 32 VAL 0.077 0.034 7 0 "[ . 1]"
5 41 GLN 0.000 0.000 . 0 "[ . 1]"
5 42 SER 0.000 0.000 . 0 "[ . 1]"
5 43 PHE 0.158 0.096 2 0 "[ . 1]"
5 45 SER 0.039 0.039 8 0 "[ . 1]"
5 46 LEU 0.000 0.000 . 0 "[ . 1]"
5 47 THR 0.000 0.000 . 0 "[ . 1]"
5 48 THR 0.000 0.000 . 0 "[ . 1]"
5 49 THR 0.000 0.000 . 0 "[ . 1]"
5 50 LYS 0.000 0.000 . 0 "[ . 1]"
5 51 SER 0.000 0.000 . 0 "[ . 1]"
5 52 SER 0.844 0.472 8 0 "[ . 1]"
5 54 ALA 0.389 0.070 7 0 "[ . 1]"
5 55 PHE 0.000 0.000 . 0 "[ . 1]"
5 56 GLN 0.000 0.000 . 0 "[ . 1]"
5 58 GLN 0.000 0.000 . 0 "[ . 1]"
5 59 MET 0.000 0.000 . 0 "[ . 1]"
5 61 ALA 0.784 0.140 3 0 "[ . 1]"
5 64 PHE 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 52 SER HB3 3 21 THR H 2.500 . 8.500 5.347 4.887 5.957 . 0 0 "[ . 1]" 1
2 3 52 SER HB3 4 21 THR H 2.500 . 8.500 5.346 4.875 5.878 . 0 0 "[ . 1]" 1
3 4 52 SER HB3 5 21 THR H 2.500 . 8.500 5.314 4.870 5.813 . 0 0 "[ . 1]" 1
4 1 52 SER HB3 2 21 THR H 2.500 . 8.500 5.356 4.904 5.866 . 0 0 "[ . 1]" 1
5 2 52 SER H 3 22 ASP H 2.500 . 8.500 7.417 7.130 7.676 . 0 0 "[ . 1]" 1
6 3 52 SER H 4 22 ASP H 2.500 . 8.500 7.418 7.125 7.693 . 0 0 "[ . 1]" 1
7 4 52 SER H 5 22 ASP H 2.500 . 8.500 7.402 7.168 7.674 . 0 0 "[ . 1]" 1
8 1 52 SER H 2 22 ASP H 2.500 . 8.500 7.431 7.151 7.659 . 0 0 "[ . 1]" 1
9 2 48 THR HB 3 23 ASP H 2.500 . 8.500 7.451 6.656 8.621 0.121 2 0 "[ . 1]" 1
10 3 48 THR HB 4 23 ASP H 2.500 . 8.500 7.461 6.708 8.597 0.097 2 0 "[ . 1]" 1
11 4 48 THR HB 5 23 ASP H 2.500 . 8.500 7.457 6.674 8.623 0.123 2 0 "[ . 1]" 1
12 1 48 THR HB 2 23 ASP H 2.500 . 8.500 7.466 6.679 8.622 0.122 2 0 "[ . 1]" 1
13 2 49 THR MG 3 23 ASP H 2.500 . 8.500 4.216 3.059 5.397 . 0 0 "[ . 1]" 1
14 3 49 THR MG 4 23 ASP H 2.500 . 8.500 4.206 3.117 5.449 . 0 0 "[ . 1]" 1
15 4 49 THR MG 5 23 ASP H 2.500 . 8.500 4.254 3.095 5.498 . 0 0 "[ . 1]" 1
16 1 49 THR MG 2 23 ASP H 2.500 . 8.500 4.225 3.117 5.476 . 0 0 "[ . 1]" 1
17 2 49 THR HA 3 24 HIS H 2.500 . 8.500 6.338 5.805 6.892 . 0 0 "[ . 1]" 1
18 3 49 THR HA 4 24 HIS H 2.500 . 8.500 6.335 5.659 6.967 . 0 0 "[ . 1]" 1
19 4 49 THR HA 5 24 HIS H 2.500 . 8.500 6.379 5.826 6.972 . 0 0 "[ . 1]" 1
20 1 49 THR HA 2 24 HIS H 2.500 . 8.500 6.343 5.794 6.900 . 0 0 "[ . 1]" 1
21 2 48 THR HB 3 24 HIS H 2.500 . 8.500 7.320 6.435 8.525 0.025 6 0 "[ . 1]" 1
22 3 48 THR HB 4 24 HIS H 2.500 . 8.500 7.328 6.462 8.550 0.050 6 0 "[ . 1]" 1
23 4 48 THR HB 5 24 HIS H 2.500 . 8.500 7.339 6.456 8.558 0.058 6 0 "[ . 1]" 1
24 1 48 THR HB 2 24 HIS H 2.500 . 8.500 7.330 6.431 8.554 0.054 6 0 "[ . 1]" 1
25 2 51 SER H 3 25 SER H 2.500 . 8.500 6.707 6.282 6.863 . 0 0 "[ . 1]" 1
26 3 51 SER H 4 25 SER H 2.500 . 8.500 6.696 6.243 6.880 . 0 0 "[ . 1]" 1
27 4 51 SER H 5 25 SER H 2.500 . 8.500 6.712 6.204 6.899 . 0 0 "[ . 1]" 1
28 1 51 SER H 2 25 SER H 2.500 . 8.500 6.710 6.263 6.880 . 0 0 "[ . 1]" 1
29 2 54 ALA HA 3 27 ALA H 2.500 . 8.500 2.780 2.647 2.926 . 0 0 "[ . 1]" 1
30 3 54 ALA HA 4 27 ALA H 2.500 . 8.500 2.791 2.664 2.950 . 0 0 "[ . 1]" 1
31 4 54 ALA HA 5 27 ALA H 2.500 . 8.500 2.789 2.653 2.937 . 0 0 "[ . 1]" 1
32 1 54 ALA HA 2 27 ALA H 2.500 . 8.500 2.790 2.638 2.946 . 0 0 "[ . 1]" 1
33 2 54 ALA H 3 27 ALA H 2.500 . 8.500 4.958 4.835 5.067 . 0 0 "[ . 1]" 1
34 3 54 ALA H 4 27 ALA H 2.500 . 8.500 4.961 4.854 5.074 . 0 0 "[ . 1]" 1
35 4 54 ALA H 5 27 ALA H 2.500 . 8.500 4.964 4.833 5.064 . 0 0 "[ . 1]" 1
36 1 54 ALA H 2 27 ALA H 2.500 . 8.500 4.968 4.818 5.056 . 0 0 "[ . 1]" 1
37 2 55 PHE HA 3 28 MET H 2.500 . 8.500 7.419 7.259 7.525 . 0 0 "[ . 1]" 1
38 3 55 PHE HA 4 28 MET H 2.500 . 8.500 7.429 7.251 7.529 . 0 0 "[ . 1]" 1
39 4 55 PHE HA 5 28 MET H 2.500 . 8.500 7.424 7.240 7.544 . 0 0 "[ . 1]" 1
40 1 55 PHE HA 2 28 MET H 2.500 . 8.500 7.431 7.279 7.534 . 0 0 "[ . 1]" 1
41 2 57 GLY HA3 3 30 GLY H 2.500 . 8.500 7.432 7.308 7.539 . 0 0 "[ . 1]" 1
42 3 57 GLY HA3 4 30 GLY H 2.500 . 8.500 7.442 7.308 7.555 . 0 0 "[ . 1]" 1
43 4 57 GLY HA3 5 30 GLY H 2.500 . 8.500 7.435 7.323 7.557 . 0 0 "[ . 1]" 1
44 1 57 GLY HA3 2 30 GLY H 2.500 . 8.500 7.444 7.311 7.556 . 0 0 "[ . 1]" 1
45 2 58 GLN HA 3 31 ILE H 2.500 . 8.500 2.510 2.436 2.805 . 0 0 "[ . 1]" 1
46 3 58 GLN HA 4 31 ILE H 2.500 . 8.500 2.521 2.428 2.805 . 0 0 "[ . 1]" 1
47 4 58 GLN HA 5 31 ILE H 2.500 . 8.500 2.525 2.416 2.817 . 0 0 "[ . 1]" 1
48 1 58 GLN HA 2 31 ILE H 2.500 . 8.500 2.531 2.394 2.827 . 0 0 "[ . 1]" 1
49 2 58 GLN HG3 3 32 VAL H 2.500 . 8.500 5.957 5.121 7.193 . 0 0 "[ . 1]" 1
50 3 58 GLN HG3 4 32 VAL H 2.500 . 8.500 5.977 5.203 7.224 . 0 0 "[ . 1]" 1
51 4 58 GLN HG3 5 32 VAL H 2.500 . 8.500 5.942 5.120 7.229 . 0 0 "[ . 1]" 1
52 1 58 GLN HG3 2 32 VAL H 2.500 . 8.500 5.956 5.141 7.162 . 0 0 "[ . 1]" 1
53 3 42 SER H 4 15 LYS HA 2.500 . 8.500 2.714 2.463 3.302 . 0 0 "[ . 1]" 1
54 4 42 SER H 5 15 LYS HA 2.500 . 8.500 2.728 2.497 3.332 . 0 0 "[ . 1]" 1
55 1 42 SER H 2 15 LYS HA 2.500 . 8.500 2.728 2.455 3.388 . 0 0 "[ . 1]" 1
56 2 42 SER H 3 15 LYS HA 2.500 . 8.500 2.707 2.439 3.322 . 0 0 "[ . 1]" 1
57 3 43 PHE H 4 16 PHE HA 2.500 . 8.500 7.273 7.178 7.360 . 0 0 "[ . 1]" 1
58 4 43 PHE H 5 16 PHE HA 2.500 . 8.500 7.281 7.125 7.404 . 0 0 "[ . 1]" 1
59 1 43 PHE H 2 16 PHE HA 2.500 . 8.500 7.278 7.156 7.393 . 0 0 "[ . 1]" 1
60 2 43 PHE H 3 16 PHE HA 2.500 . 8.500 7.271 7.155 7.373 . 0 0 "[ . 1]" 1
61 3 43 PHE H 4 15 LYS H 2.500 . 8.500 8.184 7.949 8.512 0.012 4 0 "[ . 1]" 1
62 4 43 PHE H 5 15 LYS H 2.500 . 8.500 8.174 7.914 8.527 0.027 4 0 "[ . 1]" 1
63 1 43 PHE H 2 15 LYS H 2.500 . 8.500 8.182 7.952 8.501 0.001 4 0 "[ . 1]" 1
64 2 43 PHE H 3 15 LYS H 2.500 . 8.500 8.187 7.950 8.505 0.005 4 0 "[ . 1]" 1
65 3 45 SER H 4 16 PHE HA 2.500 . 8.500 6.602 6.108 7.350 . 0 0 "[ . 1]" 1
66 4 45 SER H 5 16 PHE HA 2.500 . 8.500 6.598 6.158 7.354 . 0 0 "[ . 1]" 1
67 1 45 SER H 2 16 PHE HA 2.500 . 8.500 6.601 6.180 7.285 . 0 0 "[ . 1]" 1
68 2 45 SER H 3 16 PHE HA 2.500 . 8.500 6.618 6.165 7.318 . 0 0 "[ . 1]" 1
69 3 47 THR H 4 18 GLU HB3 2.500 . 8.500 6.777 5.806 7.472 . 0 0 "[ . 1]" 1
70 4 47 THR H 5 18 GLU HB3 2.500 . 8.500 6.764 5.705 7.438 . 0 0 "[ . 1]" 1
71 1 47 THR H 2 18 GLU HB3 2.500 . 8.500 6.790 5.719 7.559 . 0 0 "[ . 1]" 1
72 2 47 THR H 3 18 GLU HB3 2.500 . 8.500 6.785 5.731 7.494 . 0 0 "[ . 1]" 1
73 3 49 THR H 4 25 SER H 2.500 . 8.500 5.375 4.785 5.768 . 0 0 "[ . 1]" 1
74 4 49 THR H 5 25 SER H 2.500 . 8.500 5.418 4.938 5.810 . 0 0 "[ . 1]" 1
75 1 49 THR H 2 25 SER H 2.500 . 8.500 5.381 4.899 5.791 . 0 0 "[ . 1]" 1
76 2 49 THR H 3 25 SER H 2.500 . 8.500 5.380 4.923 5.710 . 0 0 "[ . 1]" 1
77 3 49 THR H 4 22 ASP HA 2.500 . 8.500 2.912 2.636 3.101 . 0 0 "[ . 1]" 1
78 4 49 THR H 5 22 ASP HA 2.500 . 8.500 2.922 2.641 3.089 . 0 0 "[ . 1]" 1
79 1 49 THR H 2 22 ASP HA 2.500 . 8.500 2.921 2.637 3.096 . 0 0 "[ . 1]" 1
80 2 49 THR H 3 22 ASP HA 2.500 . 8.500 2.902 2.592 3.075 . 0 0 "[ . 1]" 1
81 3 49 THR H 4 21 THR HB 2.500 . 8.500 4.477 4.147 4.710 . 0 0 "[ . 1]" 1
82 4 49 THR H 5 21 THR HB 2.500 . 8.500 4.508 4.199 4.724 . 0 0 "[ . 1]" 1
83 1 49 THR H 2 21 THR HB 2.500 . 8.500 4.487 4.177 4.737 . 0 0 "[ . 1]" 1
84 2 49 THR H 3 21 THR HB 2.500 . 8.500 4.491 4.232 4.697 . 0 0 "[ . 1]" 1
85 3 52 SER H 4 21 THR HB 2.500 . 8.500 5.775 5.405 6.246 . 0 0 "[ . 1]" 1
86 4 52 SER H 5 21 THR HB 2.500 . 8.500 5.771 5.464 6.200 . 0 0 "[ . 1]" 1
87 1 52 SER H 2 21 THR HB 2.500 . 8.500 5.788 5.511 6.254 . 0 0 "[ . 1]" 1
88 2 52 SER H 3 21 THR HB 2.500 . 8.500 5.782 5.464 6.301 . 0 0 "[ . 1]" 1
89 3 52 SER H 4 25 SER HB2 2.500 . 8.500 6.602 6.440 6.816 . 0 0 "[ . 1]" 1
90 4 52 SER H 5 25 SER HB2 2.500 . 8.500 6.602 6.413 6.838 . 0 0 "[ . 1]" 1
91 1 52 SER H 2 25 SER HB2 2.500 . 8.500 6.615 6.438 6.807 . 0 0 "[ . 1]" 1
92 2 52 SER H 3 25 SER HB2 2.500 . 8.500 6.608 6.443 6.810 . 0 0 "[ . 1]" 1
93 3 52 SER H 4 25 SER HA 2.500 . 8.500 7.520 7.265 7.761 . 0 0 "[ . 1]" 1
94 4 52 SER H 5 25 SER HA 2.500 . 8.500 7.537 7.316 7.730 . 0 0 "[ . 1]" 1
95 1 52 SER H 2 25 SER HA 2.500 . 8.500 7.529 7.329 7.771 . 0 0 "[ . 1]" 1
96 2 52 SER H 3 25 SER HA 2.500 . 8.500 7.523 7.340 7.764 . 0 0 "[ . 1]" 1
97 3 54 ALA H 4 26 ILE MG 2.500 . 8.500 5.235 4.627 7.141 . 0 0 "[ . 1]" 1
98 4 54 ALA H 5 26 ILE MG 2.500 . 8.500 5.247 4.661 7.143 . 0 0 "[ . 1]" 1
99 1 54 ALA H 2 26 ILE MG 2.500 . 8.500 5.234 4.676 7.112 . 0 0 "[ . 1]" 1
100 2 54 ALA H 3 26 ILE MG 2.500 . 8.500 5.232 4.614 7.139 . 0 0 "[ . 1]" 1
101 3 54 ALA H 4 27 ALA HA 2.500 . 8.500 7.633 7.512 7.789 . 0 0 "[ . 1]" 1
102 4 54 ALA H 5 27 ALA HA 2.500 . 8.500 7.639 7.516 7.775 . 0 0 "[ . 1]" 1
103 1 54 ALA H 2 27 ALA HA 2.500 . 8.500 7.641 7.503 7.769 . 0 0 "[ . 1]" 1
104 2 54 ALA H 3 27 ALA HA 2.500 . 8.500 7.634 7.512 7.777 . 0 0 "[ . 1]" 1
105 3 55 PHE H 4 28 MET HG2 2.500 . 8.500 4.806 3.608 6.006 . 0 0 "[ . 1]" 1
106 4 55 PHE H 5 28 MET HG2 2.500 . 8.500 4.825 3.632 6.019 . 0 0 "[ . 1]" 1
107 1 55 PHE H 2 28 MET HG2 2.500 . 8.500 4.813 3.620 6.005 . 0 0 "[ . 1]" 1
108 2 55 PHE H 3 28 MET HG2 2.500 . 8.500 4.817 3.612 6.019 . 0 0 "[ . 1]" 1
109 3 55 PHE H 4 28 MET HA 2.500 . 8.500 2.508 2.329 2.739 . 0 0 "[ . 1]" 1
110 4 55 PHE H 5 28 MET HA 2.500 . 8.500 2.516 2.320 2.754 . 0 0 "[ . 1]" 1
111 1 55 PHE H 2 28 MET HA 2.500 . 8.500 2.512 2.321 2.778 . 0 0 "[ . 1]" 1
112 2 55 PHE H 3 28 MET HA 2.500 . 8.500 2.511 2.344 2.738 . 0 0 "[ . 1]" 1
113 3 56 GLN H 4 14 GLN HG2 2.500 . 8.500 8.498 7.751 9.219 0.719 9 1 "[ . +1]" 1
114 4 56 GLN H 5 14 GLN HG2 2.500 . 8.500 8.507 7.758 9.207 0.707 9 1 "[ . +1]" 1
115 1 56 GLN H 2 14 GLN HG2 2.500 . 8.500 8.511 7.695 9.292 0.792 9 1 "[ . +1]" 1
116 2 56 GLN H 3 14 GLN HG2 2.500 . 8.500 8.508 7.708 9.247 0.747 9 1 "[ . +1]" 1
117 3 56 GLN H 4 19 MET HB3 2.500 . 8.500 8.117 7.326 8.552 0.052 2 0 "[ . 1]" 1
118 4 56 GLN H 5 19 MET HB3 2.500 . 8.500 8.111 7.349 8.550 0.050 2 0 "[ . 1]" 1
119 1 56 GLN H 2 19 MET HB3 2.500 . 8.500 8.128 7.302 8.588 0.088 2 0 "[ . 1]" 1
120 2 56 GLN H 3 19 MET HB3 2.500 . 8.500 8.105 7.310 8.565 0.065 2 0 "[ . 1]" 1
121 3 59 MET H 4 32 VAL MG1 2.500 . 8.500 3.651 2.343 4.687 . 0 0 "[ . 1]" 1
122 4 59 MET H 5 32 VAL MG1 2.500 . 8.500 3.619 2.290 4.624 . 0 0 "[ . 1]" 1
123 1 59 MET H 2 32 VAL MG1 2.500 . 8.500 3.631 2.242 4.633 . 0 0 "[ . 1]" 1
124 2 59 MET H 3 32 VAL MG1 2.500 . 8.500 3.638 2.323 4.650 . 0 0 "[ . 1]" 1
125 3 59 MET H 4 29 GLN H 2.500 . 8.500 8.437 7.703 8.618 0.118 9 0 "[ . 1]" 1
126 4 59 MET H 5 29 GLN H 2.500 . 8.500 8.426 7.701 8.609 0.109 9 0 "[ . 1]" 1
127 1 59 MET H 2 29 GLN H 2.500 . 8.500 8.441 7.687 8.622 0.122 3 0 "[ . 1]" 1
128 2 59 MET H 3 29 GLN H 2.500 . 8.500 8.427 7.697 8.600 0.100 4 0 "[ . 1]" 1
129 3 14 GLN HA 3 41 GLN HB3 2.500 . 8.500 3.498 2.124 4.956 . 0 0 "[ . 1]" 1
130 4 14 GLN HA 4 41 GLN HB3 2.500 . 8.500 3.497 2.126 4.956 . 0 0 "[ . 1]" 1
131 5 14 GLN HA 5 41 GLN HB3 2.500 . 8.500 3.500 2.123 4.968 . 0 0 "[ . 1]" 1
132 1 14 GLN HA 1 41 GLN HB3 2.500 . 8.500 3.494 2.117 4.953 . 0 0 "[ . 1]" 1
133 2 14 GLN HA 2 41 GLN HB3 2.500 . 8.500 3.498 2.122 4.960 . 0 0 "[ . 1]" 1
134 3 14 GLN HB3 3 29 GLN QB 2.500 . 8.500 5.857 4.700 6.712 . 0 0 "[ . 1]" 1
135 4 14 GLN HB3 4 29 GLN QB 2.500 . 8.500 5.857 4.698 6.713 . 0 0 "[ . 1]" 1
136 5 14 GLN HB3 5 29 GLN QB 2.500 . 8.500 5.857 4.700 6.713 . 0 0 "[ . 1]" 1
137 1 14 GLN HB3 1 29 GLN QB 2.500 . 8.500 5.859 4.708 6.711 . 0 0 "[ . 1]" 1
138 2 14 GLN HB3 2 29 GLN QB 2.500 . 8.500 5.856 4.698 6.714 . 0 0 "[ . 1]" 1
139 3 14 GLN HG2 3 41 GLN HA 2.500 . 8.500 7.792 6.916 8.357 . 0 0 "[ . 1]" 1
140 4 14 GLN HG2 4 41 GLN HA 2.500 . 8.500 7.791 6.915 8.355 . 0 0 "[ . 1]" 1
141 5 14 GLN HG2 5 41 GLN HA 2.500 . 8.500 7.792 6.915 8.360 . 0 0 "[ . 1]" 1
142 1 14 GLN HG3 1 41 GLN HA 2.500 . 8.500 6.959 5.302 8.087 . 0 0 "[ . 1]" 1
143 2 14 GLN HG2 2 41 GLN HA 2.500 . 8.500 7.792 6.914 8.360 . 0 0 "[ . 1]" 1
144 3 14 GLN HG3 3 29 GLN QG 2.500 . 8.500 7.455 5.778 7.928 . 0 0 "[ . 1]" 1
145 4 14 GLN HG3 4 29 GLN QG 2.500 . 8.500 7.455 5.776 7.929 . 0 0 "[ . 1]" 1
146 5 14 GLN HG3 5 29 GLN QG 2.500 . 8.500 7.455 5.778 7.930 . 0 0 "[ . 1]" 1
147 1 14 GLN HG2 1 29 GLN QG 2.500 . 8.500 7.611 5.768 8.535 0.035 4 0 "[ . 1]" 1
148 2 14 GLN HG3 2 29 GLN QG 2.500 . 8.500 7.455 5.777 7.929 . 0 0 "[ . 1]" 1
149 3 14 GLN HG3 3 43 PHE QB 2.500 . 8.500 6.690 5.888 7.252 . 0 0 "[ . 1]" 1
150 4 14 GLN HG3 4 43 PHE QB 2.500 . 8.500 6.691 5.888 7.251 . 0 0 "[ . 1]" 1
151 5 14 GLN HG3 5 43 PHE QB 2.500 . 8.500 6.691 5.890 7.253 . 0 0 "[ . 1]" 1
152 1 14 GLN HG2 1 43 PHE QB 2.500 . 8.500 6.927 6.432 7.507 . 0 0 "[ . 1]" 1
153 2 14 GLN HG3 2 43 PHE QB 2.500 . 8.500 6.691 5.889 7.248 . 0 0 "[ . 1]" 1
154 3 15 LYS HA 3 30 GLY HA2 2.500 . 8.500 7.908 7.405 8.399 . 0 0 "[ . 1]" 1
155 4 15 LYS HA 4 30 GLY HA2 2.500 . 8.500 7.909 7.405 8.401 . 0 0 "[ . 1]" 1
156 5 15 LYS HA 5 30 GLY HA2 2.500 . 8.500 7.909 7.406 8.391 . 0 0 "[ . 1]" 1
157 1 15 LYS HA 1 30 GLY HA2 2.500 . 8.500 7.910 7.404 8.394 . 0 0 "[ . 1]" 1
158 2 15 LYS HA 2 30 GLY HA2 2.500 . 8.500 7.908 7.401 8.400 . 0 0 "[ . 1]" 1
159 3 15 LYS HA 3 42 SER HB3 2.500 . 8.500 7.305 6.549 7.772 . 0 0 "[ . 1]" 1
160 4 15 LYS HA 4 42 SER HB3 2.500 . 8.500 7.305 6.561 7.776 . 0 0 "[ . 1]" 1
161 5 15 LYS HA 5 42 SER HB3 2.500 . 8.500 7.305 6.552 7.769 . 0 0 "[ . 1]" 1
162 1 15 LYS HA 1 42 SER HB3 2.500 . 8.500 7.304 6.563 7.771 . 0 0 "[ . 1]" 1
163 2 15 LYS HA 2 42 SER HB3 2.500 . 8.500 7.306 6.551 7.773 . 0 0 "[ . 1]" 1
164 3 15 LYS HB3 3 41 GLN HA 2.500 . 8.500 6.995 5.479 7.853 . 0 0 "[ . 1]" 1
165 4 15 LYS HB3 4 41 GLN HA 2.500 . 8.500 6.995 5.482 7.847 . 0 0 "[ . 1]" 1
166 5 15 LYS HB3 5 41 GLN HA 2.500 . 8.500 6.996 5.482 7.845 . 0 0 "[ . 1]" 1
167 1 15 LYS HB3 1 41 GLN HA 2.500 . 8.500 6.996 5.480 7.845 . 0 0 "[ . 1]" 1
168 2 15 LYS HB3 2 41 GLN HA 2.500 . 8.500 6.996 5.483 7.848 . 0 0 "[ . 1]" 1
169 3 15 LYS HB3 3 42 SER HB3 2.500 . 8.500 5.114 4.032 6.190 . 0 0 "[ . 1]" 1
170 4 15 LYS HB3 4 42 SER HB3 2.500 . 8.500 5.113 4.045 6.172 . 0 0 "[ . 1]" 1
171 5 15 LYS HB3 5 42 SER HB3 2.500 . 8.500 5.112 4.045 6.184 . 0 0 "[ . 1]" 1
172 1 15 LYS HB3 1 42 SER HB3 2.500 . 8.500 5.113 4.029 6.178 . 0 0 "[ . 1]" 1
173 2 15 LYS HB3 2 42 SER HB3 2.500 . 8.500 5.114 4.034 6.186 . 0 0 "[ . 1]" 1
174 3 15 LYS HB2 3 29 GLN QB 2.500 . 8.500 8.382 8.000 8.899 0.399 3 0 "[ . 1]" 1
175 4 15 LYS HB2 4 29 GLN QB 2.500 . 8.500 8.382 7.999 8.899 0.399 3 0 "[ . 1]" 1
176 5 15 LYS HB2 5 29 GLN QB 2.500 . 8.500 8.382 8.002 8.898 0.398 3 0 "[ . 1]" 1
177 1 15 LYS HB2 1 29 GLN QB 2.500 . 8.500 8.383 8.004 8.899 0.399 3 0 "[ . 1]" 1
178 2 15 LYS HB2 2 29 GLN QB 2.500 . 8.500 8.382 8.002 8.899 0.399 3 0 "[ . 1]" 1
179 3 15 LYS HD3 3 42 SER HA 2.500 . 8.500 4.710 3.344 6.004 . 0 0 "[ . 1]" 1
180 4 15 LYS HD3 4 42 SER HA 2.500 . 8.500 4.711 3.335 6.013 . 0 0 "[ . 1]" 1
181 5 15 LYS HD3 5 42 SER HA 2.500 . 8.500 4.712 3.344 6.002 . 0 0 "[ . 1]" 1
182 1 15 LYS HD3 1 42 SER HA 2.500 . 8.500 4.709 3.338 6.010 . 0 0 "[ . 1]" 1
183 2 15 LYS HD3 2 42 SER HA 2.500 . 8.500 4.710 3.337 6.010 . 0 0 "[ . 1]" 1
184 3 15 LYS HD3 3 43 PHE QB 2.500 . 8.500 6.804 3.998 8.063 . 0 0 "[ . 1]" 1
185 4 15 LYS HD3 4 43 PHE QB 2.500 . 8.500 6.804 4.000 8.066 . 0 0 "[ . 1]" 1
186 5 15 LYS HD3 5 43 PHE QB 2.500 . 8.500 6.804 3.998 8.067 . 0 0 "[ . 1]" 1
187 1 15 LYS HD3 1 43 PHE QB 2.500 . 8.500 6.803 3.996 8.058 . 0 0 "[ . 1]" 1
188 2 15 LYS HD3 2 43 PHE QB 2.500 . 8.500 6.803 3.997 8.064 . 0 0 "[ . 1]" 1
189 3 15 LYS HG3 3 42 SER HB3 2.500 . 8.500 6.412 5.624 7.571 . 0 0 "[ . 1]" 1
190 4 15 LYS HG3 4 42 SER HB3 2.500 . 8.500 6.410 5.624 7.552 . 0 0 "[ . 1]" 1
191 5 15 LYS HG3 5 42 SER HB3 2.500 . 8.500 6.411 5.619 7.560 . 0 0 "[ . 1]" 1
192 1 15 LYS HG3 1 42 SER HB3 2.500 . 8.500 6.410 5.624 7.569 . 0 0 "[ . 1]" 1
193 2 15 LYS HG3 2 42 SER HB3 2.500 . 8.500 6.412 5.618 7.560 . 0 0 "[ . 1]" 1
194 3 16 PHE HA 3 29 GLN QG 2.500 . 8.500 5.761 5.245 6.335 . 0 0 "[ . 1]" 1
195 4 16 PHE HA 4 29 GLN QG 2.500 . 8.500 5.761 5.243 6.335 . 0 0 "[ . 1]" 1
196 5 16 PHE HA 5 29 GLN QG 2.500 . 8.500 5.761 5.243 6.335 . 0 0 "[ . 1]" 1
197 1 16 PHE HA 1 29 GLN QG 2.500 . 8.500 5.764 5.241 6.337 . 0 0 "[ . 1]" 1
198 2 16 PHE HA 2 29 GLN QG 2.500 . 8.500 5.762 5.244 6.334 . 0 0 "[ . 1]" 1
199 3 16 PHE HB3 3 27 ALA MB 2.500 . 8.500 7.945 7.634 8.367 . 0 0 "[ . 1]" 1
200 4 16 PHE HB3 4 27 ALA MB 2.500 . 8.500 7.944 7.634 8.367 . 0 0 "[ . 1]" 1
201 5 16 PHE HB3 5 27 ALA MB 2.500 . 8.500 7.944 7.635 8.368 . 0 0 "[ . 1]" 1
202 1 16 PHE HB3 1 27 ALA MB 2.500 . 8.500 7.949 7.637 8.370 . 0 0 "[ . 1]" 1
203 2 16 PHE HB3 2 27 ALA MB 2.500 . 8.500 7.944 7.634 8.368 . 0 0 "[ . 1]" 1
204 3 17 GLY HA2 3 45 SER HB2 2.500 . 8.500 7.705 6.756 8.538 0.038 8 0 "[ . 1]" 1
205 4 17 GLY HA2 4 45 SER HB2 2.500 . 8.500 7.703 6.755 8.538 0.038 8 0 "[ . 1]" 1
206 5 17 GLY HA2 5 45 SER HB2 2.500 . 8.500 7.701 6.758 8.539 0.039 8 0 "[ . 1]" 1
207 1 17 GLY HA2 1 45 SER HB2 2.500 . 8.500 7.703 6.754 8.543 0.043 8 0 "[ . 1]" 1
208 2 17 GLY HA2 2 45 SER HB2 2.500 . 8.500 7.705 6.752 8.536 0.036 8 0 "[ . 1]" 1
209 3 18 GLU HB3 3 45 SER HB2 2.500 . 8.500 4.744 2.786 7.016 . 0 0 "[ . 1]" 1
210 4 18 GLU HB3 4 45 SER HB2 2.500 . 8.500 4.742 2.773 7.012 . 0 0 "[ . 1]" 1
211 5 18 GLU HB3 5 45 SER HB2 2.500 . 8.500 4.738 2.779 7.014 . 0 0 "[ . 1]" 1
212 1 18 GLU HB3 1 45 SER HB2 2.500 . 8.500 4.743 2.772 7.016 . 0 0 "[ . 1]" 1
213 2 18 GLU HB3 2 45 SER HB2 2.500 . 8.500 4.745 2.778 7.022 . 0 0 "[ . 1]" 1
214 3 18 GLU HG3 3 45 SER HB2 2.500 . 8.500 5.782 2.925 7.726 . 0 0 "[ . 1]" 1
215 4 18 GLU HG3 4 45 SER HB2 2.500 . 8.500 5.781 2.931 7.727 . 0 0 "[ . 1]" 1
216 5 18 GLU HG3 5 45 SER HB2 2.500 . 8.500 5.776 2.906 7.721 . 0 0 "[ . 1]" 1
217 1 18 GLU HG3 1 45 SER HB2 2.500 . 8.500 5.782 2.937 7.727 . 0 0 "[ . 1]" 1
218 2 18 GLU HG3 2 45 SER HB2 2.500 . 8.500 5.782 2.926 7.732 . 0 0 "[ . 1]" 1
219 3 19 MET HA 3 27 ALA HA 2.500 . 8.500 8.408 7.538 8.651 0.151 6 0 "[ . 1]" 1
220 4 19 MET HA 4 27 ALA HA 2.500 . 8.500 8.409 7.541 8.650 0.150 6 0 "[ . 1]" 1
221 5 19 MET HA 5 27 ALA HA 2.500 . 8.500 8.410 7.538 8.652 0.152 6 0 "[ . 1]" 1
222 1 19 MET HA 1 27 ALA HA 2.500 . 8.500 8.403 7.529 8.644 0.144 6 0 "[ . 1]" 1
223 2 19 MET HA 2 27 ALA HA 2.500 . 8.500 8.408 7.537 8.650 0.150 6 0 "[ . 1]" 1
224 3 19 MET HB2 3 27 ALA HA 2.500 . 8.500 7.458 6.741 7.763 . 0 0 "[ . 1]" 1
225 4 19 MET HB2 4 27 ALA HA 2.500 . 8.500 7.458 6.743 7.763 . 0 0 "[ . 1]" 1
226 5 19 MET HB2 5 27 ALA HA 2.500 . 8.500 7.459 6.741 7.764 . 0 0 "[ . 1]" 1
227 1 19 MET HB2 1 27 ALA HA 2.500 . 8.500 7.456 6.735 7.763 . 0 0 "[ . 1]" 1
228 2 19 MET HB2 2 27 ALA HA 2.500 . 8.500 7.458 6.742 7.762 . 0 0 "[ . 1]" 1
229 3 19 MET HB2 3 27 ALA MB 2.500 . 8.500 4.469 3.924 4.666 . 0 0 "[ . 1]" 1
230 4 19 MET HB2 4 27 ALA MB 2.500 . 8.500 4.469 3.924 4.667 . 0 0 "[ . 1]" 1
231 5 19 MET HB2 5 27 ALA MB 2.500 . 8.500 4.470 3.924 4.667 . 0 0 "[ . 1]" 1
232 1 19 MET HB2 1 27 ALA MB 2.500 . 8.500 4.468 3.920 4.667 . 0 0 "[ . 1]" 1
233 2 19 MET HB2 2 27 ALA MB 2.500 . 8.500 4.469 3.924 4.666 . 0 0 "[ . 1]" 1
234 3 19 MET HB3 3 27 ALA HA 2.500 . 8.500 7.806 7.618 8.074 . 0 0 "[ . 1]" 1
235 4 19 MET HB3 4 27 ALA HA 2.500 . 8.500 7.806 7.619 8.072 . 0 0 "[ . 1]" 1
236 5 19 MET HB3 5 27 ALA HA 2.500 . 8.500 7.807 7.618 8.078 . 0 0 "[ . 1]" 1
237 1 19 MET HB3 1 27 ALA HA 2.500 . 8.500 7.810 7.620 8.080 . 0 0 "[ . 1]" 1
238 2 19 MET HB3 2 27 ALA HA 2.500 . 8.500 7.805 7.618 8.075 . 0 0 "[ . 1]" 1
239 3 19 MET ME 3 29 GLN QB 2.500 . 8.500 3.253 2.361 4.379 . 0 0 "[ . 1]" 1
240 4 19 MET ME 4 29 GLN QB 2.500 . 8.500 3.252 2.360 4.380 . 0 0 "[ . 1]" 1
241 5 19 MET ME 5 29 GLN QB 2.500 . 8.500 3.253 2.361 4.382 . 0 0 "[ . 1]" 1
242 1 19 MET ME 1 29 GLN QB 2.500 . 8.500 3.259 2.366 4.386 . 0 0 "[ . 1]" 1
243 2 19 MET ME 2 29 GLN QB 2.500 . 8.500 3.252 2.359 4.379 . 0 0 "[ . 1]" 1
244 3 19 MET ME 3 29 GLN QG 2.500 . 8.500 2.630 1.842 3.932 . 0 0 "[ . 1]" 1
245 4 19 MET ME 4 29 GLN QG 2.500 . 8.500 2.630 1.843 3.932 . 0 0 "[ . 1]" 1
246 5 19 MET ME 5 29 GLN QG 2.500 . 8.500 2.630 1.845 3.932 . 0 0 "[ . 1]" 1
247 1 19 MET ME 1 29 GLN QG 2.500 . 8.500 2.639 1.859 3.940 . 0 0 "[ . 1]" 1
248 2 19 MET ME 2 29 GLN QG 2.500 . 8.500 2.630 1.842 3.932 . 0 0 "[ . 1]" 1
249 3 19 MET ME 3 54 ALA MB 2.500 . 8.500 5.028 4.017 5.847 . 0 0 "[ . 1]" 1
250 4 19 MET ME 4 54 ALA MB 2.500 . 8.500 5.028 4.015 5.848 . 0 0 "[ . 1]" 1
251 5 19 MET ME 5 54 ALA MB 2.500 . 8.500 5.030 4.016 5.848 . 0 0 "[ . 1]" 1
252 1 19 MET ME 1 54 ALA MB 2.500 . 8.500 5.040 4.020 5.857 . 0 0 "[ . 1]" 1
253 2 19 MET ME 2 54 ALA MB 2.500 . 8.500 5.028 4.019 5.847 . 0 0 "[ . 1]" 1
254 3 19 MET HG3 3 48 THR HB 2.500 . 8.500 6.332 5.024 7.001 . 0 0 "[ . 1]" 1
255 4 19 MET HG3 4 48 THR HB 2.500 . 8.500 6.334 5.026 7.004 . 0 0 "[ . 1]" 1
256 5 19 MET HG3 5 48 THR HB 2.500 . 8.500 6.333 5.014 7.007 . 0 0 "[ . 1]" 1
257 1 19 MET HG3 1 48 THR HB 2.500 . 8.500 6.334 5.028 7.005 . 0 0 "[ . 1]" 1
258 2 19 MET HG3 2 48 THR HB 2.500 . 8.500 6.330 5.015 7.001 . 0 0 "[ . 1]" 1
259 3 21 THR HA 3 49 THR HB 2.500 . 8.500 6.465 4.517 7.130 . 0 0 "[ . 1]" 1
260 4 21 THR HA 4 49 THR HB 2.500 . 8.500 6.466 4.518 7.132 . 0 0 "[ . 1]" 1
261 5 21 THR HA 5 49 THR HB 2.500 . 8.500 6.470 4.519 7.126 . 0 0 "[ . 1]" 1
262 1 21 THR HA 1 49 THR HB 2.500 . 8.500 6.470 4.513 7.139 . 0 0 "[ . 1]" 1
263 2 21 THR HA 2 49 THR HB 2.500 . 8.500 6.466 4.517 7.133 . 0 0 "[ . 1]" 1
264 3 21 THR HB 3 26 ILE HB 2.500 . 8.500 6.774 6.329 7.108 . 0 0 "[ . 1]" 1
265 4 21 THR HB 4 26 ILE HB 2.500 . 8.500 6.774 6.329 7.105 . 0 0 "[ . 1]" 1
266 5 21 THR HB 5 26 ILE HB 2.500 . 8.500 6.775 6.334 7.109 . 0 0 "[ . 1]" 1
267 1 21 THR HB 1 26 ILE HB 2.500 . 8.500 6.775 6.327 7.102 . 0 0 "[ . 1]" 1
268 2 21 THR HB 2 26 ILE HB 2.500 . 8.500 6.774 6.329 7.107 . 0 0 "[ . 1]" 1
269 3 21 THR MG 3 48 THR HA 2.500 . 8.500 4.979 4.326 5.237 . 0 0 "[ . 1]" 1
270 4 21 THR MG 4 48 THR HA 2.500 . 8.500 4.980 4.328 5.237 . 0 0 "[ . 1]" 1
271 5 21 THR MG 5 48 THR HA 2.500 . 8.500 4.981 4.320 5.240 . 0 0 "[ . 1]" 1
272 1 21 THR MG 1 48 THR HA 2.500 . 8.500 4.978 4.322 5.237 . 0 0 "[ . 1]" 1
273 2 21 THR MG 2 48 THR HA 2.500 . 8.500 4.979 4.327 5.235 . 0 0 "[ . 1]" 1
274 3 21 THR MG 3 52 SER HB3 2.500 . 8.500 6.649 5.981 7.447 . 0 0 "[ . 1]" 1
275 4 21 THR MG 4 52 SER HB3 2.500 . 8.500 6.650 5.983 7.448 . 0 0 "[ . 1]" 1
276 5 21 THR MG 5 52 SER HB3 2.500 . 8.500 6.646 5.988 7.456 . 0 0 "[ . 1]" 1
277 1 21 THR MG 1 52 SER HB3 2.500 . 8.500 6.649 5.977 7.448 . 0 0 "[ . 1]" 1
278 2 21 THR MG 2 52 SER HB3 2.500 . 8.500 6.649 5.982 7.448 . 0 0 "[ . 1]" 1
279 3 22 ASP H 3 49 THR HA 2.500 . 8.500 2.813 2.476 3.073 . 0 0 "[ . 1]" 1
280 4 22 ASP H 4 49 THR HA 2.500 . 8.500 2.813 2.475 3.080 . 0 0 "[ . 1]" 1
281 5 22 ASP H 5 49 THR HA 2.500 . 8.500 2.814 2.471 3.084 . 0 0 "[ . 1]" 1
282 1 22 ASP H 1 49 THR HA 2.500 . 8.500 2.812 2.476 3.085 . 0 0 "[ . 1]" 1
283 2 22 ASP H 2 49 THR HA 2.500 . 8.500 2.812 2.475 3.074 . 0 0 "[ . 1]" 1
284 3 22 ASP HB2 3 48 THR MG 2.500 . 8.500 6.852 6.434 7.729 . 0 0 "[ . 1]" 1
285 4 22 ASP HB2 4 48 THR MG 2.500 . 8.500 6.854 6.430 7.729 . 0 0 "[ . 1]" 1
286 5 22 ASP HB2 5 48 THR MG 2.500 . 8.500 6.854 6.431 7.726 . 0 0 "[ . 1]" 1
287 1 22 ASP HB2 1 48 THR MG 2.500 . 8.500 6.853 6.434 7.731 . 0 0 "[ . 1]" 1
288 2 22 ASP HB2 2 48 THR MG 2.500 . 8.500 6.853 6.435 7.725 . 0 0 "[ . 1]" 1
289 3 25 SER HA 3 52 SER HB3 2.500 . 8.500 5.628 5.376 5.823 . 0 0 "[ . 1]" 1
290 4 25 SER HA 4 52 SER HB3 2.500 . 8.500 5.627 5.370 5.824 . 0 0 "[ . 1]" 1
291 5 25 SER HA 5 52 SER HB3 2.500 . 8.500 5.627 5.368 5.832 . 0 0 "[ . 1]" 1
292 1 25 SER HA 1 52 SER HB3 2.500 . 8.500 5.626 5.370 5.824 . 0 0 "[ . 1]" 1
293 2 25 SER HA 2 52 SER HB3 2.500 . 8.500 5.629 5.372 5.826 . 0 0 "[ . 1]" 1
294 3 25 SER HB3 3 49 THR MG 2.500 . 8.500 6.082 5.812 6.461 . 0 0 "[ . 1]" 1
295 4 25 SER HB3 4 49 THR MG 2.500 . 8.500 6.083 5.813 6.469 . 0 0 "[ . 1]" 1
296 5 25 SER HB3 5 49 THR MG 2.500 . 8.500 6.084 5.812 6.468 . 0 0 "[ . 1]" 1
297 1 25 SER HB3 1 49 THR MG 2.500 . 8.500 6.079 5.807 6.460 . 0 0 "[ . 1]" 1
298 2 25 SER HB3 2 49 THR MG 2.500 . 8.500 6.083 5.816 6.463 . 0 0 "[ . 1]" 1
299 3 25 SER HB2 3 48 THR HA 2.500 . 8.500 5.486 5.184 6.202 . 0 0 "[ . 1]" 1
300 4 25 SER HB2 4 48 THR HA 2.500 . 8.500 5.487 5.188 6.205 . 0 0 "[ . 1]" 1
301 5 25 SER HB2 5 48 THR HA 2.500 . 8.500 5.488 5.192 6.199 . 0 0 "[ . 1]" 1
302 1 25 SER HB2 1 48 THR HA 2.500 . 8.500 5.483 5.185 6.196 . 0 0 "[ . 1]" 1
303 2 25 SER HB2 2 48 THR HA 2.500 . 8.500 5.486 5.186 6.199 . 0 0 "[ . 1]" 1
304 3 25 SER HB2 3 51 SER HA 2.500 . 8.500 4.866 4.104 5.534 . 0 0 "[ . 1]" 1
305 4 25 SER HB2 4 51 SER HA 2.500 . 8.500 4.866 4.114 5.527 . 0 0 "[ . 1]" 1
306 5 25 SER HB2 5 51 SER HA 2.500 . 8.500 4.868 4.122 5.535 . 0 0 "[ . 1]" 1
307 1 25 SER HB2 1 51 SER HA 2.500 . 8.500 4.865 4.110 5.541 . 0 0 "[ . 1]" 1
308 2 25 SER HB2 2 51 SER HA 2.500 . 8.500 4.867 4.106 5.532 . 0 0 "[ . 1]" 1
309 3 19 MET ME 3 26 ILE MD 2.500 . 8.500 7.340 4.733 8.105 . 0 0 "[ . 1]" 1
310 4 19 MET ME 4 26 ILE MD 2.500 . 8.500 7.340 4.733 8.105 . 0 0 "[ . 1]" 1
311 5 19 MET ME 5 26 ILE MD 2.500 . 8.500 7.340 4.736 8.106 . 0 0 "[ . 1]" 1
312 1 19 MET ME 1 26 ILE MD 2.500 . 8.500 7.342 4.749 8.109 . 0 0 "[ . 1]" 1
313 2 19 MET ME 2 26 ILE MD 2.500 . 8.500 7.339 4.730 8.108 . 0 0 "[ . 1]" 1
314 3 21 THR HA 3 26 ILE MD 2.500 . 8.500 7.668 6.953 8.614 0.114 10 0 "[ . 1]" 1
315 4 21 THR HA 4 26 ILE MD 2.500 . 8.500 7.668 6.952 8.616 0.116 10 0 "[ . 1]" 1
316 5 21 THR HA 5 26 ILE MD 2.500 . 8.500 7.667 6.956 8.617 0.117 10 0 "[ . 1]" 1
317 1 21 THR HA 1 26 ILE MD 2.500 . 8.500 7.667 6.951 8.618 0.118 10 0 "[ . 1]" 1
318 2 21 THR HA 2 26 ILE MD 2.500 . 8.500 7.667 6.957 8.616 0.116 10 0 "[ . 1]" 1
319 3 27 ALA HA 3 56 GLN HA 2.500 . 8.500 7.927 7.705 8.216 . 0 0 "[ . 1]" 1
320 4 27 ALA HA 4 56 GLN HA 2.500 . 8.500 7.928 7.708 8.218 . 0 0 "[ . 1]" 1
321 5 27 ALA HA 5 56 GLN HA 2.500 . 8.500 7.925 7.698 8.206 . 0 0 "[ . 1]" 1
322 1 27 ALA HA 1 56 GLN HA 2.500 . 8.500 7.925 7.701 8.213 . 0 0 "[ . 1]" 1
323 2 27 ALA HA 2 56 GLN HA 2.500 . 8.500 7.928 7.709 8.218 . 0 0 "[ . 1]" 1
324 3 19 MET HA 3 27 ALA MB 2.500 . 8.500 5.156 4.472 5.410 . 0 0 "[ . 1]" 1
325 4 19 MET HA 4 27 ALA MB 2.500 . 8.500 5.156 4.473 5.411 . 0 0 "[ . 1]" 1
326 5 19 MET HA 5 27 ALA MB 2.500 . 8.500 5.157 4.471 5.414 . 0 0 "[ . 1]" 1
327 1 19 MET HA 1 27 ALA MB 2.500 . 8.500 5.151 4.465 5.406 . 0 0 "[ . 1]" 1
328 2 19 MET HA 2 27 ALA MB 2.500 . 8.500 5.156 4.471 5.412 . 0 0 "[ . 1]" 1
329 3 19 MET HB3 3 27 ALA MB 2.500 . 8.500 4.630 4.501 4.868 . 0 0 "[ . 1]" 1
330 4 19 MET HB3 4 27 ALA MB 2.500 . 8.500 4.630 4.499 4.867 . 0 0 "[ . 1]" 1
331 5 19 MET HB3 5 27 ALA MB 2.500 . 8.500 4.631 4.503 4.872 . 0 0 "[ . 1]" 1
332 1 19 MET HB3 1 27 ALA MB 2.500 . 8.500 4.633 4.511 4.873 . 0 0 "[ . 1]" 1
333 2 19 MET HB3 2 27 ALA MB 2.500 . 8.500 4.630 4.497 4.869 . 0 0 "[ . 1]" 1
334 3 19 MET ME 3 27 ALA MB 2.500 . 8.500 2.461 1.916 3.175 . 0 0 "[ . 1]" 1
335 4 19 MET ME 4 27 ALA MB 2.500 . 8.500 2.461 1.916 3.176 . 0 0 "[ . 1]" 1
336 5 19 MET ME 5 27 ALA MB 2.500 . 8.500 2.461 1.921 3.175 . 0 0 "[ . 1]" 1
337 1 19 MET ME 1 27 ALA MB 2.500 . 8.500 2.473 1.957 3.180 . 0 0 "[ . 1]" 1
338 2 19 MET ME 2 27 ALA MB 2.500 . 8.500 2.461 1.913 3.175 . 0 0 "[ . 1]" 1
339 3 21 THR HB 3 27 ALA MB 2.500 . 8.500 4.239 4.107 4.420 . 0 0 "[ . 1]" 1
340 4 21 THR HB 4 27 ALA MB 2.500 . 8.500 4.239 4.109 4.421 . 0 0 "[ . 1]" 1
341 5 21 THR HB 5 27 ALA MB 2.500 . 8.500 4.239 4.110 4.421 . 0 0 "[ . 1]" 1
342 1 21 THR HB 1 27 ALA MB 2.500 . 8.500 4.242 4.111 4.417 . 0 0 "[ . 1]" 1
343 2 21 THR HB 2 27 ALA MB 2.500 . 8.500 4.239 4.109 4.423 . 0 0 "[ . 1]" 1
344 3 21 THR MG 3 27 ALA MB 2.500 . 8.500 2.101 1.931 2.295 . 0 0 "[ . 1]" 1
345 4 21 THR MG 4 27 ALA MB 2.500 . 8.500 2.101 1.930 2.296 . 0 0 "[ . 1]" 1
346 5 21 THR MG 5 27 ALA MB 2.500 . 8.500 2.101 1.931 2.296 . 0 0 "[ . 1]" 1
347 1 21 THR MG 1 27 ALA MB 2.500 . 8.500 2.102 1.929 2.295 . 0 0 "[ . 1]" 1
348 2 21 THR MG 2 27 ALA MB 2.500 . 8.500 2.100 1.930 2.297 . 0 0 "[ . 1]" 1
349 3 27 ALA MB 3 48 THR HB 2.500 . 8.500 4.031 3.187 4.454 . 0 0 "[ . 1]" 1
350 4 27 ALA MB 4 48 THR HB 2.500 . 8.500 4.032 3.190 4.456 . 0 0 "[ . 1]" 1
351 5 27 ALA MB 5 48 THR HB 2.500 . 8.500 4.033 3.172 4.461 . 0 0 "[ . 1]" 1
352 1 27 ALA MB 1 48 THR HB 2.500 . 8.500 4.028 3.188 4.448 . 0 0 "[ . 1]" 1
353 2 27 ALA MB 2 48 THR HB 2.500 . 8.500 4.030 3.191 4.454 . 0 0 "[ . 1]" 1
354 3 28 MET HA 3 56 GLN HA 2.500 . 8.500 7.892 7.742 8.056 . 0 0 "[ . 1]" 1
355 4 28 MET HA 4 56 GLN HA 2.500 . 8.500 7.893 7.739 8.053 . 0 0 "[ . 1]" 1
356 5 28 MET HA 5 56 GLN HA 2.500 . 8.500 7.890 7.738 8.054 . 0 0 "[ . 1]" 1
357 1 28 MET HA 1 56 GLN HA 2.500 . 8.500 7.895 7.742 8.058 . 0 0 "[ . 1]" 1
358 2 28 MET HA 2 56 GLN HA 2.500 . 8.500 7.894 7.742 8.055 . 0 0 "[ . 1]" 1
359 3 19 MET ME 3 28 MET HA 2.500 . 8.500 3.450 2.448 4.127 . 0 0 "[ . 1]" 1
360 4 19 MET ME 4 28 MET HA 2.500 . 8.500 3.451 2.448 4.128 . 0 0 "[ . 1]" 1
361 5 19 MET ME 5 28 MET HA 2.500 . 8.500 3.451 2.449 4.132 . 0 0 "[ . 1]" 1
362 1 19 MET ME 1 28 MET HA 2.500 . 8.500 3.461 2.452 4.147 . 0 0 "[ . 1]" 1
363 2 19 MET ME 2 28 MET HA 2.500 . 8.500 3.450 2.449 4.124 . 0 0 "[ . 1]" 1
364 3 28 MET ME 3 54 ALA MB 2.500 . 8.500 7.299 6.371 8.226 . 0 0 "[ . 1]" 1
365 4 28 MET ME 4 54 ALA MB 2.500 . 8.500 7.300 6.374 8.233 . 0 0 "[ . 1]" 1
366 5 28 MET ME 5 54 ALA MB 2.500 . 8.500 7.301 6.371 8.229 . 0 0 "[ . 1]" 1
367 1 28 MET ME 1 54 ALA MB 2.500 . 8.500 7.299 6.372 8.228 . 0 0 "[ . 1]" 1
368 2 28 MET ME 2 54 ALA MB 2.500 . 8.500 7.300 6.372 8.227 . 0 0 "[ . 1]" 1
369 3 28 MET HG3 3 59 MET HG2 2.500 . 8.500 6.806 5.625 7.835 . 0 0 "[ . 1]" 1
370 4 28 MET HG3 4 59 MET HG2 2.500 . 8.500 6.804 5.621 7.833 . 0 0 "[ . 1]" 1
371 5 28 MET HG3 5 59 MET HG2 2.500 . 8.500 6.805 5.615 7.834 . 0 0 "[ . 1]" 1
372 1 28 MET HG3 1 59 MET HG2 2.500 . 8.500 6.807 5.624 7.843 . 0 0 "[ . 1]" 1
373 2 28 MET HG3 2 59 MET HG2 2.500 . 8.500 6.805 5.619 7.834 . 0 0 "[ . 1]" 1
374 3 28 MET HG2 3 59 MET ME 2.500 . 8.500 5.436 3.285 7.849 . 0 0 "[ . 1]" 1
375 4 28 MET HG2 4 59 MET ME 2.500 . 8.500 5.435 3.280 7.849 . 0 0 "[ . 1]" 1
376 5 28 MET HG2 5 59 MET ME 2.500 . 8.500 5.436 3.287 7.848 . 0 0 "[ . 1]" 1
377 1 28 MET HG2 1 59 MET ME 2.500 . 8.500 5.440 3.284 7.855 . 0 0 "[ . 1]" 1
378 2 28 MET HG2 2 59 MET ME 2.500 . 8.500 5.435 3.283 7.849 . 0 0 "[ . 1]" 1
379 3 29 GLN H 3 56 GLN HA 2.500 . 8.500 7.352 7.229 7.573 . 0 0 "[ . 1]" 1
380 4 29 GLN H 4 56 GLN HA 2.500 . 8.500 7.353 7.228 7.570 . 0 0 "[ . 1]" 1
381 5 29 GLN H 5 56 GLN HA 2.500 . 8.500 7.349 7.224 7.569 . 0 0 "[ . 1]" 1
382 1 29 GLN H 1 56 GLN HA 2.500 . 8.500 7.352 7.228 7.572 . 0 0 "[ . 1]" 1
383 2 29 GLN H 2 56 GLN HA 2.500 . 8.500 7.354 7.231 7.570 . 0 0 "[ . 1]" 1
384 3 16 PHE HA 3 29 GLN QB 2.500 . 8.500 4.997 4.612 5.529 . 0 0 "[ . 1]" 1
385 4 16 PHE HA 4 29 GLN QB 2.500 . 8.500 4.997 4.613 5.527 . 0 0 "[ . 1]" 1
386 5 16 PHE HA 5 29 GLN QB 2.500 . 8.500 4.997 4.613 5.526 . 0 0 "[ . 1]" 1
387 1 16 PHE HA 1 29 GLN QB 2.500 . 8.500 4.999 4.612 5.525 . 0 0 "[ . 1]" 1
388 2 16 PHE HA 2 29 GLN QB 2.500 . 8.500 4.998 4.614 5.527 . 0 0 "[ . 1]" 1
389 3 29 GLN QB 3 43 PHE QB 2.500 . 8.500 4.107 3.571 4.833 . 0 0 "[ . 1]" 1
390 4 29 GLN QB 4 43 PHE QB 2.500 . 8.500 4.107 3.571 4.834 . 0 0 "[ . 1]" 1
391 5 29 GLN QB 5 43 PHE QB 2.500 . 8.500 4.107 3.572 4.833 . 0 0 "[ . 1]" 1
392 1 29 GLN QB 1 43 PHE QB 2.500 . 8.500 4.109 3.568 4.835 . 0 0 "[ . 1]" 1
393 2 29 GLN QB 2 43 PHE QB 2.500 . 8.500 4.108 3.571 4.834 . 0 0 "[ . 1]" 1
394 3 19 MET HA 3 29 GLN QB 2.500 . 8.500 6.923 6.236 7.360 . 0 0 "[ . 1]" 1
395 4 19 MET HA 4 29 GLN QB 2.500 . 8.500 6.924 6.236 7.359 . 0 0 "[ . 1]" 1
396 5 19 MET HA 5 29 GLN QB 2.500 . 8.500 6.923 6.236 7.357 . 0 0 "[ . 1]" 1
397 1 19 MET HA 1 29 GLN QB 2.500 . 8.500 6.920 6.229 7.357 . 0 0 "[ . 1]" 1
398 2 19 MET HA 2 29 GLN QB 2.500 . 8.500 6.923 6.235 7.359 . 0 0 "[ . 1]" 1
399 3 14 GLN HB2 3 29 GLN QG 2.500 . 8.500 7.634 6.930 9.069 0.569 6 1 "[ .+ 1]" 1
400 4 14 GLN HB2 4 29 GLN QG 2.500 . 8.500 7.633 6.927 9.068 0.568 6 1 "[ .+ 1]" 1
401 5 14 GLN HB2 5 29 GLN QG 2.500 . 8.500 7.633 6.931 9.068 0.568 6 1 "[ .+ 1]" 1
402 1 14 GLN HB2 1 29 GLN QG 2.500 . 8.500 7.636 6.931 9.062 0.562 6 1 "[ .+ 1]" 1
403 2 14 GLN HB2 2 29 GLN QG 2.500 . 8.500 7.633 6.926 9.068 0.568 6 1 "[ .+ 1]" 1
404 3 31 ILE MG 3 58 GLN HA 2.500 . 8.500 4.391 4.162 4.684 . 0 0 "[ . 1]" 1
405 4 31 ILE MG 4 58 GLN HA 2.500 . 8.500 4.390 4.160 4.683 . 0 0 "[ . 1]" 1
406 5 31 ILE MG 5 58 GLN HA 2.500 . 8.500 4.391 4.160 4.683 . 0 0 "[ . 1]" 1
407 1 31 ILE MG 1 58 GLN HA 2.500 . 8.500 4.389 4.158 4.685 . 0 0 "[ . 1]" 1
408 2 31 ILE MG 2 58 GLN HA 2.500 . 8.500 4.390 4.161 4.683 . 0 0 "[ . 1]" 1
409 3 32 VAL HA 3 59 MET HA 2.500 . 8.500 4.915 4.662 5.133 . 0 0 "[ . 1]" 1
410 4 32 VAL HA 4 59 MET HA 2.500 . 8.500 4.915 4.663 5.134 . 0 0 "[ . 1]" 1
411 5 32 VAL HA 5 59 MET HA 2.500 . 8.500 4.913 4.665 5.133 . 0 0 "[ . 1]" 1
412 1 32 VAL HA 1 59 MET HA 2.500 . 8.500 4.914 4.672 5.130 . 0 0 "[ . 1]" 1
413 2 32 VAL HA 2 59 MET HA 2.500 . 8.500 4.916 4.667 5.137 . 0 0 "[ . 1]" 1
414 3 32 VAL HB 3 59 MET HA 2.500 . 8.500 3.826 2.887 4.853 . 0 0 "[ . 1]" 1
415 4 32 VAL HB 4 59 MET HA 2.500 . 8.500 3.826 2.889 4.854 . 0 0 "[ . 1]" 1
416 5 32 VAL HB 5 59 MET HA 2.500 . 8.500 3.822 2.881 4.847 . 0 0 "[ . 1]" 1
417 1 32 VAL HB 1 59 MET HA 2.500 . 8.500 3.826 2.889 4.856 . 0 0 "[ . 1]" 1
418 2 32 VAL HB 2 59 MET HA 2.500 . 8.500 3.826 2.892 4.851 . 0 0 "[ . 1]" 1
419 3 29 GLN HA 3 41 GLN HG3 2.500 . 8.500 7.044 6.462 7.563 . 0 0 "[ . 1]" 1
420 4 29 GLN HA 4 41 GLN HG3 2.500 . 8.500 7.044 6.460 7.564 . 0 0 "[ . 1]" 1
421 5 29 GLN HA 5 41 GLN HG3 2.500 . 8.500 7.044 6.458 7.563 . 0 0 "[ . 1]" 1
422 1 29 GLN HA 1 41 GLN HG3 2.500 . 8.500 7.048 6.459 7.567 . 0 0 "[ . 1]" 1
423 2 29 GLN HA 2 41 GLN HG3 2.500 . 8.500 7.045 6.459 7.563 . 0 0 "[ . 1]" 1
424 3 29 GLN QB 3 41 GLN HG3 2.500 . 8.500 6.050 5.542 6.348 . 0 0 "[ . 1]" 1
425 4 29 GLN QB 4 41 GLN HG3 2.500 . 8.500 6.049 5.540 6.346 . 0 0 "[ . 1]" 1
426 5 29 GLN QB 5 41 GLN HG3 2.500 . 8.500 6.051 5.543 6.351 . 0 0 "[ . 1]" 1
427 1 29 GLN QB 1 41 GLN HG3 2.500 . 8.500 6.051 5.546 6.346 . 0 0 "[ . 1]" 1
428 2 29 GLN QB 2 41 GLN HG3 2.500 . 8.500 6.051 5.544 6.349 . 0 0 "[ . 1]" 1
429 3 29 GLN QG 3 41 GLN HG3 2.500 . 8.500 7.030 6.000 7.718 . 0 0 "[ . 1]" 1
430 4 29 GLN QG 4 41 GLN HG3 2.500 . 8.500 7.029 5.998 7.718 . 0 0 "[ . 1]" 1
431 5 29 GLN QG 5 41 GLN HG3 2.500 . 8.500 7.031 6.001 7.718 . 0 0 "[ . 1]" 1
432 1 29 GLN QG 1 41 GLN HG3 2.500 . 8.500 7.033 6.000 7.715 . 0 0 "[ . 1]" 1
433 2 29 GLN QG 2 41 GLN HG3 2.500 . 8.500 7.031 5.998 7.719 . 0 0 "[ . 1]" 1
434 3 15 LYS HD3 3 42 SER HB3 2.500 . 8.500 5.834 4.432 7.644 . 0 0 "[ . 1]" 1
435 4 15 LYS HD3 4 42 SER HB3 2.500 . 8.500 5.829 4.419 7.653 . 0 0 "[ . 1]" 1
436 5 15 LYS HD3 5 42 SER HB3 2.500 . 8.500 5.830 4.424 7.666 . 0 0 "[ . 1]" 1
437 1 15 LYS HD3 1 42 SER HB3 2.500 . 8.500 5.831 4.416 7.646 . 0 0 "[ . 1]" 1
438 2 15 LYS HD3 2 42 SER HB3 2.500 . 8.500 5.833 4.435 7.648 . 0 0 "[ . 1]" 1
439 3 19 MET HB2 3 43 PHE HA 2.500 . 8.500 8.002 7.403 8.594 0.094 2 0 "[ . 1]" 1
440 4 19 MET HB2 4 43 PHE HA 2.500 . 8.500 8.002 7.403 8.596 0.096 2 0 "[ . 1]" 1
441 5 19 MET HB2 5 43 PHE HA 2.500 . 8.500 8.002 7.402 8.596 0.096 2 0 "[ . 1]" 1
442 1 19 MET HB2 1 43 PHE HA 2.500 . 8.500 8.000 7.403 8.590 0.090 2 0 "[ . 1]" 1
443 2 19 MET HB2 2 43 PHE HA 2.500 . 8.500 8.003 7.404 8.595 0.095 2 0 "[ . 1]" 1
444 3 29 GLN QB 3 43 PHE HA 2.500 . 8.500 6.624 5.561 7.832 . 0 0 "[ . 1]" 1
445 4 29 GLN QB 4 43 PHE HA 2.500 . 8.500 6.624 5.562 7.833 . 0 0 "[ . 1]" 1
446 5 29 GLN QB 5 43 PHE HA 2.500 . 8.500 6.623 5.564 7.833 . 0 0 "[ . 1]" 1
447 1 29 GLN QB 1 43 PHE HA 2.500 . 8.500 6.626 5.559 7.835 . 0 0 "[ . 1]" 1
448 2 29 GLN QB 2 43 PHE HA 2.500 . 8.500 6.625 5.561 7.834 . 0 0 "[ . 1]" 1
449 3 43 PHE HA 3 56 GLN QB 2.500 . 8.500 5.303 4.704 5.828 . 0 0 "[ . 1]" 1
450 4 43 PHE HA 4 56 GLN QB 2.500 . 8.500 5.302 4.697 5.828 . 0 0 "[ . 1]" 1
451 5 43 PHE HA 5 56 GLN QB 2.500 . 8.500 5.300 4.698 5.834 . 0 0 "[ . 1]" 1
452 1 43 PHE HA 1 56 GLN QB 2.500 . 8.500 5.302 4.700 5.829 . 0 0 "[ . 1]" 1
453 2 43 PHE HA 2 56 GLN QB 2.500 . 8.500 5.302 4.701 5.827 . 0 0 "[ . 1]" 1
454 3 16 PHE HB3 3 43 PHE HA 2.500 . 8.500 6.791 6.590 7.445 . 0 0 "[ . 1]" 1
455 4 16 PHE HB3 4 43 PHE HA 2.500 . 8.500 6.791 6.587 7.447 . 0 0 "[ . 1]" 1
456 5 16 PHE HB3 5 43 PHE HA 2.500 . 8.500 6.792 6.586 7.446 . 0 0 "[ . 1]" 1
457 1 16 PHE HB3 1 43 PHE HA 2.500 . 8.500 6.795 6.588 7.454 . 0 0 "[ . 1]" 1
458 2 16 PHE HB3 2 43 PHE HA 2.500 . 8.500 6.792 6.586 7.447 . 0 0 "[ . 1]" 1
459 3 16 PHE HA 3 43 PHE QB 2.500 . 8.500 2.113 1.884 2.927 . 0 0 "[ . 1]" 1
460 4 16 PHE HA 4 43 PHE QB 2.500 . 8.500 2.114 1.889 2.925 . 0 0 "[ . 1]" 1
461 5 16 PHE HA 5 43 PHE QB 2.500 . 8.500 2.114 1.891 2.929 . 0 0 "[ . 1]" 1
462 1 16 PHE HA 1 43 PHE QB 2.500 . 8.500 2.117 1.888 2.927 . 0 0 "[ . 1]" 1
463 2 16 PHE HA 2 43 PHE QB 2.500 . 8.500 2.114 1.887 2.926 . 0 0 "[ . 1]" 1
464 3 27 ALA HA 3 54 ALA H 2.500 . 8.500 2.534 2.430 2.683 . 0 0 "[ . 1]" 1
465 4 27 ALA HA 4 54 ALA H 2.500 . 8.500 2.534 2.430 2.684 . 0 0 "[ . 1]" 1
466 5 27 ALA HA 5 54 ALA H 2.500 . 8.500 2.528 2.422 2.676 . 0 0 "[ . 1]" 1
467 1 27 ALA HA 1 54 ALA H 2.500 . 8.500 2.528 2.424 2.679 . 0 0 "[ . 1]" 1
468 2 27 ALA HA 2 54 ALA H 2.500 . 8.500 2.534 2.430 2.681 . 0 0 "[ . 1]" 1
469 3 27 ALA MB 3 46 LEU HA 2.500 . 8.500 6.276 5.821 6.806 . 0 0 "[ . 1]" 1
470 4 27 ALA MB 4 46 LEU HA 2.500 . 8.500 6.275 5.823 6.805 . 0 0 "[ . 1]" 1
471 5 27 ALA MB 5 46 LEU HA 2.500 . 8.500 6.278 5.821 6.811 . 0 0 "[ . 1]" 1
472 1 27 ALA MB 1 46 LEU HA 2.500 . 8.500 6.273 5.820 6.803 . 0 0 "[ . 1]" 1
473 2 27 ALA MB 2 46 LEU HA 2.500 . 8.500 6.276 5.823 6.807 . 0 0 "[ . 1]" 1
474 3 46 LEU HA 3 56 GLN QB 2.500 . 8.500 6.866 6.303 7.402 . 0 0 "[ . 1]" 1
475 4 46 LEU HA 4 56 GLN QB 2.500 . 8.500 6.867 6.302 7.402 . 0 0 "[ . 1]" 1
476 5 46 LEU HA 5 56 GLN QB 2.500 . 8.500 6.866 6.300 7.400 . 0 0 "[ . 1]" 1
477 1 46 LEU HA 1 56 GLN QB 2.500 . 8.500 6.867 6.303 7.402 . 0 0 "[ . 1]" 1
478 2 46 LEU HA 2 56 GLN QB 2.500 . 8.500 6.866 6.302 7.404 . 0 0 "[ . 1]" 1
479 3 19 MET HA 3 46 LEU HB3 2.500 . 8.500 2.322 2.046 2.580 . 0 0 "[ . 1]" 1
480 4 19 MET HA 4 46 LEU HB3 2.500 . 8.500 2.322 2.047 2.585 . 0 0 "[ . 1]" 1
481 5 19 MET HA 5 46 LEU HB3 2.500 . 8.500 2.325 2.045 2.587 . 0 0 "[ . 1]" 1
482 1 19 MET HA 1 46 LEU HB3 2.500 . 8.500 2.316 2.038 2.577 . 0 0 "[ . 1]" 1
483 2 19 MET HA 2 46 LEU HB3 2.500 . 8.500 2.323 2.046 2.584 . 0 0 "[ . 1]" 1
484 3 27 ALA HA 3 46 LEU HB3 2.500 . 8.500 7.334 6.941 7.751 . 0 0 "[ . 1]" 1
485 4 27 ALA HA 4 46 LEU HB3 2.500 . 8.500 7.334 6.944 7.749 . 0 0 "[ . 1]" 1
486 5 27 ALA HA 5 46 LEU HB3 2.500 . 8.500 7.330 6.936 7.742 . 0 0 "[ . 1]" 1
487 1 27 ALA HA 1 46 LEU HB3 2.500 . 8.500 7.332 6.942 7.746 . 0 0 "[ . 1]" 1
488 2 27 ALA HA 2 46 LEU HB3 2.500 . 8.500 7.334 6.943 7.750 . 0 0 "[ . 1]" 1
489 3 29 GLN HA 3 46 LEU HB3 2.500 . 8.500 7.802 6.955 8.233 . 0 0 "[ . 1]" 1
490 4 29 GLN HA 4 46 LEU HB3 2.500 . 8.500 7.802 6.953 8.236 . 0 0 "[ . 1]" 1
491 5 29 GLN HA 5 46 LEU HB3 2.500 . 8.500 7.800 6.949 8.235 . 0 0 "[ . 1]" 1
492 1 29 GLN HA 1 46 LEU HB3 2.500 . 8.500 7.798 6.944 8.228 . 0 0 "[ . 1]" 1
493 2 29 GLN HA 2 46 LEU HB3 2.500 . 8.500 7.801 6.954 8.235 . 0 0 "[ . 1]" 1
494 3 29 GLN QB 3 46 LEU HB3 2.500 . 8.500 6.487 5.695 7.140 . 0 0 "[ . 1]" 1
495 4 29 GLN QB 4 46 LEU HB3 2.500 . 8.500 6.487 5.692 7.137 . 0 0 "[ . 1]" 1
496 5 29 GLN QB 5 46 LEU HB3 2.500 . 8.500 6.487 5.689 7.137 . 0 0 "[ . 1]" 1
497 1 29 GLN QB 1 46 LEU HB3 2.500 . 8.500 6.487 5.691 7.148 . 0 0 "[ . 1]" 1
498 2 29 GLN QB 2 46 LEU HB3 2.500 . 8.500 6.486 5.691 7.142 . 0 0 "[ . 1]" 1
499 3 19 MET HA 3 46 LEU MD1 2.500 . 8.500 4.895 4.619 5.115 . 0 0 "[ . 1]" 1
500 4 19 MET HA 4 46 LEU MD1 2.500 . 8.500 4.895 4.620 5.120 . 0 0 "[ . 1]" 1
501 5 19 MET HA 5 46 LEU MD1 2.500 . 8.500 4.902 4.626 5.121 . 0 0 "[ . 1]" 1
502 1 19 MET HA 1 46 LEU MD1 2.500 . 8.500 4.889 4.612 5.111 . 0 0 "[ . 1]" 1
503 2 19 MET HA 2 46 LEU MD1 2.500 . 8.500 4.895 4.618 5.117 . 0 0 "[ . 1]" 1
504 3 19 MET ME 3 46 LEU MD1 2.500 . 8.500 5.541 4.473 6.134 . 0 0 "[ . 1]" 1
505 4 19 MET ME 4 46 LEU MD1 2.500 . 8.500 5.540 4.471 6.134 . 0 0 "[ . 1]" 1
506 5 19 MET ME 5 46 LEU MD1 2.500 . 8.500 5.549 4.475 6.143 . 0 0 "[ . 1]" 1
507 1 19 MET ME 1 46 LEU MD1 2.500 . 8.500 5.549 4.478 6.139 . 0 0 "[ . 1]" 1
508 2 19 MET ME 2 46 LEU MD1 2.500 . 8.500 5.540 4.472 6.136 . 0 0 "[ . 1]" 1
509 3 27 ALA MB 3 46 LEU MD1 2.500 . 8.500 3.938 3.508 4.520 . 0 0 "[ . 1]" 1
510 4 27 ALA MB 4 46 LEU MD1 2.500 . 8.500 3.937 3.509 4.520 . 0 0 "[ . 1]" 1
511 5 27 ALA MB 5 46 LEU MD1 2.500 . 8.500 3.948 3.517 4.537 . 0 0 "[ . 1]" 1
512 1 27 ALA MB 1 46 LEU MD1 2.500 . 8.500 3.935 3.505 4.519 . 0 0 "[ . 1]" 1
513 2 27 ALA MB 2 46 LEU MD1 2.500 . 8.500 3.938 3.508 4.524 . 0 0 "[ . 1]" 1
514 3 46 LEU MD1 3 54 ALA HA 2.500 . 8.500 4.528 4.214 4.883 . 0 0 "[ . 1]" 1
515 4 46 LEU MD1 4 54 ALA HA 2.500 . 8.500 4.528 4.217 4.882 . 0 0 "[ . 1]" 1
516 5 46 LEU MD1 5 54 ALA HA 2.500 . 8.500 4.532 4.220 4.894 . 0 0 "[ . 1]" 1
517 1 46 LEU MD1 1 54 ALA HA 2.500 . 8.500 4.529 4.217 4.880 . 0 0 "[ . 1]" 1
518 2 46 LEU MD1 2 54 ALA HA 2.500 . 8.500 4.529 4.216 4.881 . 0 0 "[ . 1]" 1
519 3 46 LEU MD1 3 54 ALA MB 2.500 . 8.500 2.314 1.919 2.638 . 0 0 "[ . 1]" 1
520 4 46 LEU MD1 4 54 ALA MB 2.500 . 8.500 2.312 1.921 2.636 . 0 0 "[ . 1]" 1
521 5 46 LEU MD1 5 54 ALA MB 2.500 . 8.500 2.316 1.921 2.634 . 0 0 "[ . 1]" 1
522 1 46 LEU MD1 1 54 ALA MB 2.500 . 8.500 2.314 1.921 2.640 . 0 0 "[ . 1]" 1
523 2 46 LEU MD1 2 54 ALA MB 2.500 . 8.500 2.314 1.920 2.639 . 0 0 "[ . 1]" 1
524 3 19 MET HB2 3 46 LEU MD2 2.500 . 8.500 3.249 2.681 3.733 . 0 0 "[ . 1]" 1
525 4 19 MET HB2 4 46 LEU MD2 2.500 . 8.500 3.249 2.680 3.730 . 0 0 "[ . 1]" 1
526 5 19 MET HB2 5 46 LEU MD2 2.500 . 8.500 3.253 2.686 3.735 . 0 0 "[ . 1]" 1
527 1 19 MET HB2 1 46 LEU MD2 2.500 . 8.500 3.246 2.677 3.727 . 0 0 "[ . 1]" 1
528 2 19 MET HB2 2 46 LEU MD2 2.500 . 8.500 3.250 2.680 3.730 . 0 0 "[ . 1]" 1
529 3 21 THR MG 3 46 LEU MD2 2.500 . 8.500 3.669 3.373 4.091 . 0 0 "[ . 1]" 1
530 4 21 THR MG 4 46 LEU MD2 2.500 . 8.500 3.669 3.373 4.092 . 0 0 "[ . 1]" 1
531 5 21 THR MG 5 46 LEU MD2 2.500 . 8.500 3.672 3.377 4.093 . 0 0 "[ . 1]" 1
532 1 21 THR MG 1 46 LEU MD2 2.500 . 8.500 3.670 3.372 4.091 . 0 0 "[ . 1]" 1
533 2 21 THR MG 2 46 LEU MD2 2.500 . 8.500 3.669 3.372 4.090 . 0 0 "[ . 1]" 1
534 3 27 ALA MB 3 46 LEU MD2 2.500 . 8.500 2.153 1.812 2.565 . 0 0 "[ . 1]" 1
535 4 27 ALA MB 4 46 LEU MD2 2.500 . 8.500 2.154 1.814 2.563 . 0 0 "[ . 1]" 1
536 5 27 ALA MB 5 46 LEU MD2 2.500 . 8.500 2.157 1.815 2.572 . 0 0 "[ . 1]" 1
537 1 27 ALA MB 1 46 LEU MD2 2.500 . 8.500 2.151 1.811 2.562 . 0 0 "[ . 1]" 1
538 2 27 ALA MB 2 46 LEU MD2 2.500 . 8.500 2.154 1.814 2.565 . 0 0 "[ . 1]" 1
539 3 29 GLN QB 3 46 LEU MD2 2.500 . 8.500 4.976 4.247 5.776 . 0 0 "[ . 1]" 1
540 4 29 GLN QB 4 46 LEU MD2 2.500 . 8.500 4.976 4.247 5.775 . 0 0 "[ . 1]" 1
541 5 29 GLN QB 5 46 LEU MD2 2.500 . 8.500 4.978 4.249 5.778 . 0 0 "[ . 1]" 1
542 1 29 GLN QB 1 46 LEU MD2 2.500 . 8.500 4.977 4.247 5.772 . 0 0 "[ . 1]" 1
543 2 29 GLN QB 2 46 LEU MD2 2.500 . 8.500 4.976 4.246 5.776 . 0 0 "[ . 1]" 1
544 3 46 LEU MD2 3 54 ALA HA 2.500 . 8.500 4.496 4.283 4.710 . 0 0 "[ . 1]" 1
545 4 46 LEU MD2 4 54 ALA HA 2.500 . 8.500 4.496 4.283 4.711 . 0 0 "[ . 1]" 1
546 5 46 LEU MD2 5 54 ALA HA 2.500 . 8.500 4.494 4.283 4.708 . 0 0 "[ . 1]" 1
547 1 46 LEU MD2 1 54 ALA HA 2.500 . 8.500 4.496 4.283 4.709 . 0 0 "[ . 1]" 1
548 2 46 LEU MD2 2 54 ALA HA 2.500 . 8.500 4.496 4.283 4.708 . 0 0 "[ . 1]" 1
549 3 46 LEU MD2 3 54 ALA MB 2.500 . 8.500 2.011 1.837 2.239 . 0 0 "[ . 1]" 1
550 4 46 LEU MD2 4 54 ALA MB 2.500 . 8.500 2.010 1.837 2.237 . 0 0 "[ . 1]" 1
551 5 46 LEU MD2 5 54 ALA MB 2.500 . 8.500 2.008 1.836 2.235 . 0 0 "[ . 1]" 1
552 1 46 LEU MD2 1 54 ALA MB 2.500 . 8.500 2.011 1.836 2.238 . 0 0 "[ . 1]" 1
553 2 46 LEU MD2 2 54 ALA MB 2.500 . 8.500 2.011 1.836 2.238 . 0 0 "[ . 1]" 1
554 3 19 MET HG3 3 46 LEU HG 2.500 . 8.500 3.142 2.735 3.894 . 0 0 "[ . 1]" 1
555 4 19 MET HG3 4 46 LEU HG 2.500 . 8.500 3.141 2.734 3.895 . 0 0 "[ . 1]" 1
556 5 19 MET HG3 5 46 LEU HG 2.500 . 8.500 3.152 2.745 3.910 . 0 0 "[ . 1]" 1
557 1 19 MET HG3 1 46 LEU HG 2.500 . 8.500 3.146 2.735 3.902 . 0 0 "[ . 1]" 1
558 2 19 MET HG3 2 46 LEU HG 2.500 . 8.500 3.142 2.732 3.895 . 0 0 "[ . 1]" 1
559 3 21 THR HB 3 46 LEU HG 2.500 . 8.500 7.145 6.976 7.374 . 0 0 "[ . 1]" 1
560 4 21 THR HB 4 46 LEU HG 2.500 . 8.500 7.145 6.977 7.373 . 0 0 "[ . 1]" 1
561 5 21 THR HB 5 46 LEU HG 2.500 . 8.500 7.153 6.976 7.385 . 0 0 "[ . 1]" 1
562 1 21 THR HB 1 46 LEU HG 2.500 . 8.500 7.148 6.977 7.376 . 0 0 "[ . 1]" 1
563 2 21 THR HB 2 46 LEU HG 2.500 . 8.500 7.145 6.977 7.373 . 0 0 "[ . 1]" 1
564 3 46 LEU HG 3 54 ALA HA 2.500 . 8.500 6.723 6.303 7.129 . 0 0 "[ . 1]" 1
565 4 46 LEU HG 4 54 ALA HA 2.500 . 8.500 6.722 6.303 7.129 . 0 0 "[ . 1]" 1
566 5 46 LEU HG 5 54 ALA HA 2.500 . 8.500 6.719 6.299 7.127 . 0 0 "[ . 1]" 1
567 1 46 LEU HG 1 54 ALA HA 2.500 . 8.500 6.723 6.306 7.126 . 0 0 "[ . 1]" 1
568 2 46 LEU HG 2 54 ALA HA 2.500 . 8.500 6.723 6.306 7.126 . 0 0 "[ . 1]" 1
569 3 19 MET HB2 3 47 THR HA 2.500 . 8.500 6.810 6.294 7.200 . 0 0 "[ . 1]" 1
570 4 19 MET HB2 4 47 THR HA 2.500 . 8.500 6.810 6.293 7.201 . 0 0 "[ . 1]" 1
571 5 19 MET HB2 5 47 THR HA 2.500 . 8.500 6.811 6.297 7.195 . 0 0 "[ . 1]" 1
572 1 19 MET HB2 1 47 THR HA 2.500 . 8.500 6.812 6.295 7.201 . 0 0 "[ . 1]" 1
573 2 19 MET HB2 2 47 THR HA 2.500 . 8.500 6.811 6.294 7.197 . 0 0 "[ . 1]" 1
574 3 20 LYS HG3 3 47 THR HA 2.500 . 8.500 4.556 3.950 5.681 . 0 0 "[ . 1]" 1
575 4 20 LYS HG3 4 47 THR HA 2.500 . 8.500 4.557 3.954 5.683 . 0 0 "[ . 1]" 1
576 5 20 LYS HG3 5 47 THR HA 2.500 . 8.500 4.553 3.947 5.680 . 0 0 "[ . 1]" 1
577 1 20 LYS HG3 1 47 THR HA 2.500 . 8.500 4.556 3.955 5.683 . 0 0 "[ . 1]" 1
578 2 20 LYS HG3 2 47 THR HA 2.500 . 8.500 4.559 3.954 5.685 . 0 0 "[ . 1]" 1
579 3 21 THR HA 3 47 THR HB 2.500 . 8.500 7.423 7.177 7.846 . 0 0 "[ . 1]" 1
580 4 21 THR HA 4 47 THR HB 2.500 . 8.500 7.422 7.175 7.846 . 0 0 "[ . 1]" 1
581 5 21 THR HA 5 47 THR HB 2.500 . 8.500 7.422 7.171 7.854 . 0 0 "[ . 1]" 1
582 1 21 THR HA 1 47 THR HB 2.500 . 8.500 7.424 7.177 7.839 . 0 0 "[ . 1]" 1
583 2 21 THR HA 2 47 THR HB 2.500 . 8.500 7.424 7.171 7.850 . 0 0 "[ . 1]" 1
584 3 21 THR HB 3 48 THR HA 2.500 . 8.500 6.649 6.540 6.825 . 0 0 "[ . 1]" 1
585 4 21 THR HB 4 48 THR HA 2.500 . 8.500 6.649 6.535 6.825 . 0 0 "[ . 1]" 1
586 5 21 THR HB 5 48 THR HA 2.500 . 8.500 6.651 6.542 6.822 . 0 0 "[ . 1]" 1
587 1 21 THR HB 1 48 THR HA 2.500 . 8.500 6.653 6.554 6.822 . 0 0 "[ . 1]" 1
588 2 21 THR HB 2 48 THR HA 2.500 . 8.500 6.649 6.542 6.829 . 0 0 "[ . 1]" 1
589 3 27 ALA HA 3 48 THR HA 2.500 . 8.500 7.897 7.418 8.378 . 0 0 "[ . 1]" 1
590 4 27 ALA HA 4 48 THR HA 2.500 . 8.500 7.899 7.421 8.377 . 0 0 "[ . 1]" 1
591 5 27 ALA HA 5 48 THR HA 2.500 . 8.500 7.902 7.425 8.376 . 0 0 "[ . 1]" 1
592 1 27 ALA HA 1 48 THR HA 2.500 . 8.500 7.894 7.416 8.374 . 0 0 "[ . 1]" 1
593 2 27 ALA HA 2 48 THR HA 2.500 . 8.500 7.897 7.418 8.376 . 0 0 "[ . 1]" 1
594 3 21 THR HA 3 48 THR HB 2.500 . 8.500 3.458 2.377 3.875 . 0 0 "[ . 1]" 1
595 4 21 THR HA 4 48 THR HB 2.500 . 8.500 3.460 2.379 3.878 . 0 0 "[ . 1]" 1
596 5 21 THR HA 5 48 THR HB 2.500 . 8.500 3.463 2.379 3.882 . 0 0 "[ . 1]" 1
597 1 21 THR HA 1 48 THR HB 2.500 . 8.500 3.460 2.377 3.876 . 0 0 "[ . 1]" 1
598 2 21 THR HA 2 48 THR HB 2.500 . 8.500 3.459 2.382 3.875 . 0 0 "[ . 1]" 1
599 3 19 MET ME 3 48 THR MG 2.500 . 8.500 5.419 4.535 6.114 . 0 0 "[ . 1]" 1
600 4 19 MET ME 4 48 THR MG 2.500 . 8.500 5.419 4.532 6.117 . 0 0 "[ . 1]" 1
601 5 19 MET ME 5 48 THR MG 2.500 . 8.500 5.427 4.547 6.112 . 0 0 "[ . 1]" 1
602 1 19 MET ME 1 48 THR MG 2.500 . 8.500 5.427 4.536 6.118 . 0 0 "[ . 1]" 1
603 2 19 MET ME 2 48 THR MG 2.500 . 8.500 5.419 4.533 6.112 . 0 0 "[ . 1]" 1
604 3 21 THR HA 3 48 THR MG 2.500 . 8.500 3.870 3.445 4.036 . 0 0 "[ . 1]" 1
605 4 21 THR HA 4 48 THR MG 2.500 . 8.500 3.871 3.447 4.038 . 0 0 "[ . 1]" 1
606 5 21 THR HA 5 48 THR MG 2.500 . 8.500 3.877 3.445 4.033 . 0 0 "[ . 1]" 1
607 1 21 THR HA 1 48 THR MG 2.500 . 8.500 3.871 3.448 4.035 . 0 0 "[ . 1]" 1
608 2 21 THR HA 2 48 THR MG 2.500 . 8.500 3.870 3.447 4.038 . 0 0 "[ . 1]" 1
609 3 21 THR HB 3 48 THR MG 2.500 . 8.500 4.687 4.191 4.901 . 0 0 "[ . 1]" 1
610 4 21 THR HB 4 48 THR MG 2.500 . 8.500 4.687 4.190 4.905 . 0 0 "[ . 1]" 1
611 5 21 THR HB 5 48 THR MG 2.500 . 8.500 4.695 4.189 4.913 . 0 0 "[ . 1]" 1
612 1 21 THR HB 1 48 THR MG 2.500 . 8.500 4.691 4.188 4.919 . 0 0 "[ . 1]" 1
613 2 21 THR HB 2 48 THR MG 2.500 . 8.500 4.687 4.192 4.898 . 0 0 "[ . 1]" 1
614 3 27 ALA MB 3 48 THR MG 2.500 . 8.500 2.680 2.001 3.439 . 0 0 "[ . 1]" 1
615 4 27 ALA MB 4 48 THR MG 2.500 . 8.500 2.681 2.001 3.441 . 0 0 "[ . 1]" 1
616 5 27 ALA MB 5 48 THR MG 2.500 . 8.500 2.689 2.011 3.442 . 0 0 "[ . 1]" 1
617 1 27 ALA MB 1 48 THR MG 2.500 . 8.500 2.677 1.995 3.439 . 0 0 "[ . 1]" 1
618 2 27 ALA MB 2 48 THR MG 2.500 . 8.500 2.679 1.997 3.438 . 0 0 "[ . 1]" 1
619 3 48 THR MG 3 54 ALA MB 2.500 . 8.500 2.350 1.988 3.062 . 0 0 "[ . 1]" 1
620 4 48 THR MG 4 54 ALA MB 2.500 . 8.500 2.350 1.988 3.060 . 0 0 "[ . 1]" 1
621 5 48 THR MG 5 54 ALA MB 2.500 . 8.500 2.351 1.994 3.063 . 0 0 "[ . 1]" 1
622 1 48 THR MG 1 54 ALA MB 2.500 . 8.500 2.350 1.987 3.060 . 0 0 "[ . 1]" 1
623 2 48 THR MG 2 54 ALA MB 2.500 . 8.500 2.350 1.989 3.059 . 0 0 "[ . 1]" 1
624 3 25 SER HA 3 49 THR HA 2.500 . 8.500 5.801 5.333 6.234 . 0 0 "[ . 1]" 1
625 4 25 SER HA 4 49 THR HA 2.500 . 8.500 5.801 5.335 6.235 . 0 0 "[ . 1]" 1
626 5 25 SER HA 5 49 THR HA 2.500 . 8.500 5.804 5.334 6.231 . 0 0 "[ . 1]" 1
627 1 25 SER HA 1 49 THR HA 2.500 . 8.500 5.800 5.336 6.226 . 0 0 "[ . 1]" 1
628 2 25 SER HA 2 49 THR HA 2.500 . 8.500 5.801 5.336 6.230 . 0 0 "[ . 1]" 1
629 3 22 ASP HB2 3 49 THR HB 2.500 . 8.500 4.688 3.552 6.202 . 0 0 "[ . 1]" 1
630 4 22 ASP HB2 4 49 THR HB 2.500 . 8.500 4.690 3.546 6.201 . 0 0 "[ . 1]" 1
631 5 22 ASP HB2 5 49 THR HB 2.500 . 8.500 4.692 3.553 6.196 . 0 0 "[ . 1]" 1
632 1 22 ASP HB2 1 49 THR HB 2.500 . 8.500 4.689 3.535 6.194 . 0 0 "[ . 1]" 1
633 2 22 ASP HB2 2 49 THR HB 2.500 . 8.500 4.688 3.546 6.197 . 0 0 "[ . 1]" 1
634 3 25 SER H 3 49 THR HB 2.500 . 8.500 7.940 7.054 8.492 . 0 0 "[ . 1]" 1
635 4 25 SER H 4 49 THR HB 2.500 . 8.500 7.943 7.059 8.497 . 0 0 "[ . 1]" 1
636 5 25 SER H 5 49 THR HB 2.500 . 8.500 7.945 7.058 8.487 . 0 0 "[ . 1]" 1
637 1 25 SER H 1 49 THR HB 2.500 . 8.500 7.936 7.071 8.492 . 0 0 "[ . 1]" 1
638 2 25 SER H 2 49 THR HB 2.500 . 8.500 7.940 7.057 8.490 . 0 0 "[ . 1]" 1
639 3 25 SER HA 3 49 THR MG 2.500 . 8.500 7.138 6.716 7.435 . 0 0 "[ . 1]" 1
640 4 25 SER HA 4 49 THR MG 2.500 . 8.500 7.138 6.718 7.436 . 0 0 "[ . 1]" 1
641 5 25 SER HA 5 49 THR MG 2.500 . 8.500 7.138 6.720 7.427 . 0 0 "[ . 1]" 1
642 1 25 SER HA 1 49 THR MG 2.500 . 8.500 7.137 6.720 7.429 . 0 0 "[ . 1]" 1
643 2 25 SER HA 2 49 THR MG 2.500 . 8.500 7.139 6.714 7.433 . 0 0 "[ . 1]" 1
644 3 25 SER HB2 3 49 THR MG 2.500 . 8.500 5.778 5.454 6.136 . 0 0 "[ . 1]" 1
645 4 25 SER HB2 4 49 THR MG 2.500 . 8.500 5.779 5.454 6.137 . 0 0 "[ . 1]" 1
646 5 25 SER HB2 5 49 THR MG 2.500 . 8.500 5.780 5.454 6.141 . 0 0 "[ . 1]" 1
647 1 25 SER HB2 1 49 THR MG 2.500 . 8.500 5.776 5.450 6.131 . 0 0 "[ . 1]" 1
648 2 25 SER HB2 2 49 THR MG 2.500 . 8.500 5.778 5.454 6.131 . 0 0 "[ . 1]" 1
649 3 25 SER HA 3 50 LYS HA 2.500 . 8.500 6.391 5.900 6.698 . 0 0 "[ . 1]" 1
650 4 25 SER HA 4 50 LYS HA 2.500 . 8.500 6.391 5.905 6.701 . 0 0 "[ . 1]" 1
651 5 25 SER HA 5 50 LYS HA 2.500 . 8.500 6.394 5.905 6.697 . 0 0 "[ . 1]" 1
652 1 25 SER HA 1 50 LYS HA 2.500 . 8.500 6.390 5.897 6.697 . 0 0 "[ . 1]" 1
653 2 25 SER HA 2 50 LYS HA 2.500 . 8.500 6.393 5.904 6.698 . 0 0 "[ . 1]" 1
654 3 26 ILE QG 3 51 SER HA 2.500 . 8.500 5.645 4.604 7.837 . 0 0 "[ . 1]" 1
655 4 26 ILE QG 4 51 SER HA 2.500 . 8.500 5.646 4.602 7.839 . 0 0 "[ . 1]" 1
656 5 26 ILE QG 5 51 SER HA 2.500 . 8.500 5.648 4.605 7.839 . 0 0 "[ . 1]" 1
657 1 26 ILE QG 1 51 SER HA 2.500 . 8.500 5.645 4.606 7.840 . 0 0 "[ . 1]" 1
658 2 26 ILE QG 2 51 SER HA 2.500 . 8.500 5.645 4.601 7.838 . 0 0 "[ . 1]" 1
659 3 25 SER HA 3 52 SER H 2.500 . 8.500 2.760 2.392 3.062 . 0 0 "[ . 1]" 1
660 4 25 SER HA 4 52 SER H 2.500 . 8.500 2.758 2.392 3.050 . 0 0 "[ . 1]" 1
661 5 25 SER HA 5 52 SER H 2.500 . 8.500 2.762 2.394 3.066 . 0 0 "[ . 1]" 1
662 1 25 SER HA 1 52 SER H 2.500 . 8.500 2.756 2.384 3.051 . 0 0 "[ . 1]" 1
663 2 25 SER HA 2 52 SER H 2.500 . 8.500 2.761 2.390 3.057 . 0 0 "[ . 1]" 1
664 3 21 THR HB 3 52 SER HA 2.500 . 8.500 8.495 8.296 8.588 0.088 2 0 "[ . 1]" 1
665 4 21 THR HB 4 52 SER HA 2.500 . 8.500 8.496 8.293 8.589 0.089 2 0 "[ . 1]" 1
666 5 21 THR HB 5 52 SER HA 2.500 . 8.500 8.495 8.292 8.587 0.087 2 0 "[ . 1]" 1
667 1 21 THR HB 1 52 SER HA 2.500 . 8.500 8.500 8.315 8.579 0.079 2 0 "[ . 1]" 1
668 2 21 THR HB 2 52 SER HA 2.500 . 8.500 8.496 8.300 8.588 0.088 2 0 "[ . 1]" 1
669 3 21 THR HB 3 52 SER HB3 2.500 . 8.500 8.226 7.863 8.429 . 0 0 "[ . 1]" 1
670 4 21 THR HB 4 52 SER HB3 2.500 . 8.500 8.228 7.857 8.431 . 0 0 "[ . 1]" 1
671 5 21 THR HB 5 52 SER HB3 2.500 . 8.500 8.225 7.855 8.435 . 0 0 "[ . 1]" 1
672 1 21 THR HB 1 52 SER HB3 2.500 . 8.500 8.232 7.884 8.420 . 0 0 "[ . 1]" 1
673 2 21 THR HB 2 52 SER HB3 2.500 . 8.500 8.227 7.866 8.429 . 0 0 "[ . 1]" 1
674 3 25 SER HB3 3 52 SER HB3 2.500 . 8.500 4.987 4.654 5.807 . 0 0 "[ . 1]" 1
675 4 25 SER HB3 4 52 SER HB3 2.500 . 8.500 4.989 4.651 5.809 . 0 0 "[ . 1]" 1
676 5 25 SER HB3 5 52 SER HB3 2.500 . 8.500 4.987 4.648 5.799 . 0 0 "[ . 1]" 1
677 1 25 SER HB3 1 52 SER HB3 2.500 . 8.500 4.985 4.650 5.797 . 0 0 "[ . 1]" 1
678 2 25 SER HB3 2 52 SER HB3 2.500 . 8.500 4.988 4.655 5.804 . 0 0 "[ . 1]" 1
679 3 26 ILE HA 3 52 SER HB3 2.500 . 8.500 8.447 8.232 8.963 0.463 8 0 "[ . 1]" 1
680 4 26 ILE HA 4 52 SER HB3 2.500 . 8.500 8.448 8.234 8.964 0.464 8 0 "[ . 1]" 1
681 5 26 ILE HA 5 52 SER HB3 2.500 . 8.500 8.443 8.221 8.972 0.472 8 0 "[ . 1]" 1
682 1 26 ILE HA 1 52 SER HB3 2.500 . 8.500 8.446 8.233 8.959 0.459 8 0 "[ . 1]" 1
683 2 26 ILE HA 2 52 SER HB3 2.500 . 8.500 8.448 8.237 8.964 0.464 8 0 "[ . 1]" 1
684 3 21 THR HA 3 54 ALA H 2.500 . 8.500 7.616 7.158 7.996 . 0 0 "[ . 1]" 1
685 4 21 THR HA 4 54 ALA H 2.500 . 8.500 7.617 7.160 7.996 . 0 0 "[ . 1]" 1
686 5 21 THR HA 5 54 ALA H 2.500 . 8.500 7.620 7.156 7.997 . 0 0 "[ . 1]" 1
687 1 21 THR HA 1 54 ALA H 2.500 . 8.500 7.618 7.160 7.997 . 0 0 "[ . 1]" 1
688 2 21 THR HA 2 54 ALA H 2.500 . 8.500 7.618 7.157 7.992 . 0 0 "[ . 1]" 1
689 3 21 THR HB 3 54 ALA H 2.500 . 8.500 7.231 6.931 7.626 . 0 0 "[ . 1]" 1
690 4 21 THR HB 4 54 ALA H 2.500 . 8.500 7.231 6.933 7.621 . 0 0 "[ . 1]" 1
691 5 21 THR HB 5 54 ALA H 2.500 . 8.500 7.233 6.934 7.627 . 0 0 "[ . 1]" 1
692 1 21 THR HB 1 54 ALA H 2.500 . 8.500 7.236 6.934 7.624 . 0 0 "[ . 1]" 1
693 2 21 THR HB 2 54 ALA H 2.500 . 8.500 7.231 6.931 7.624 . 0 0 "[ . 1]" 1
694 3 25 SER HA 3 54 ALA H 2.500 . 8.500 6.109 5.803 6.232 . 0 0 "[ . 1]" 1
695 4 25 SER HA 4 54 ALA H 2.500 . 8.500 6.109 5.798 6.231 . 0 0 "[ . 1]" 1
696 5 25 SER HA 5 54 ALA H 2.500 . 8.500 6.112 5.803 6.233 . 0 0 "[ . 1]" 1
697 1 25 SER HA 1 54 ALA H 2.500 . 8.500 6.109 5.801 6.231 . 0 0 "[ . 1]" 1
698 2 25 SER HA 2 54 ALA H 2.500 . 8.500 6.109 5.802 6.229 . 0 0 "[ . 1]" 1
699 3 25 SER HA 3 54 ALA HA 2.500 . 8.500 8.498 8.240 8.569 0.069 7 0 "[ . 1]" 1
700 4 25 SER HA 4 54 ALA HA 2.500 . 8.500 8.497 8.237 8.572 0.072 7 0 "[ . 1]" 1
701 5 25 SER HA 5 54 ALA HA 2.500 . 8.500 8.497 8.237 8.570 0.070 7 0 "[ . 1]" 1
702 1 25 SER HA 1 54 ALA HA 2.500 . 8.500 8.497 8.239 8.571 0.071 7 0 "[ . 1]" 1
703 2 25 SER HA 2 54 ALA HA 2.500 . 8.500 8.498 8.239 8.573 0.073 7 0 "[ . 1]" 1
704 3 27 ALA HA 3 54 ALA HA 2.500 . 8.500 4.645 4.539 4.782 . 0 0 "[ . 1]" 1
705 4 27 ALA HA 4 54 ALA HA 2.500 . 8.500 4.646 4.541 4.781 . 0 0 "[ . 1]" 1
706 5 27 ALA HA 5 54 ALA HA 2.500 . 8.500 4.644 4.539 4.778 . 0 0 "[ . 1]" 1
707 1 27 ALA HA 1 54 ALA HA 2.500 . 8.500 4.639 4.536 4.774 . 0 0 "[ . 1]" 1
708 2 27 ALA HA 2 54 ALA HA 2.500 . 8.500 4.646 4.542 4.782 . 0 0 "[ . 1]" 1
709 3 29 GLN QG 3 54 ALA HA 2.500 . 8.500 7.311 6.783 7.733 . 0 0 "[ . 1]" 1
710 4 29 GLN QG 4 54 ALA HA 2.500 . 8.500 7.311 6.783 7.734 . 0 0 "[ . 1]" 1
711 5 29 GLN QG 5 54 ALA HA 2.500 . 8.500 7.311 6.781 7.734 . 0 0 "[ . 1]" 1
712 1 29 GLN QG 1 54 ALA HA 2.500 . 8.500 7.312 6.786 7.730 . 0 0 "[ . 1]" 1
713 2 29 GLN QG 2 54 ALA HA 2.500 . 8.500 7.311 6.783 7.733 . 0 0 "[ . 1]" 1
714 3 27 ALA MB 3 54 ALA MB 2.500 . 8.500 2.491 2.242 2.719 . 0 0 "[ . 1]" 1
715 4 27 ALA MB 4 54 ALA MB 2.500 . 8.500 2.491 2.240 2.726 . 0 0 "[ . 1]" 1
716 5 27 ALA MB 5 54 ALA MB 2.500 . 8.500 2.494 2.239 2.727 . 0 0 "[ . 1]" 1
717 1 27 ALA MB 1 54 ALA MB 2.500 . 8.500 2.487 2.235 2.716 . 0 0 "[ . 1]" 1
718 2 27 ALA MB 2 54 ALA MB 2.500 . 8.500 2.491 2.241 2.719 . 0 0 "[ . 1]" 1
719 3 19 MET HA 3 54 ALA MB 2.500 . 8.500 6.480 6.149 6.797 . 0 0 "[ . 1]" 1
720 4 19 MET HA 4 54 ALA MB 2.500 . 8.500 6.480 6.150 6.799 . 0 0 "[ . 1]" 1
721 5 19 MET HA 5 54 ALA MB 2.500 . 8.500 6.481 6.152 6.795 . 0 0 "[ . 1]" 1
722 1 19 MET HA 1 54 ALA MB 2.500 . 8.500 6.474 6.142 6.791 . 0 0 "[ . 1]" 1
723 2 19 MET HA 2 54 ALA MB 2.500 . 8.500 6.480 6.148 6.797 . 0 0 "[ . 1]" 1
724 3 19 MET HB3 3 54 ALA MB 2.500 . 8.500 7.067 6.812 7.333 . 0 0 "[ . 1]" 1
725 4 19 MET HB3 4 54 ALA MB 2.500 . 8.500 7.067 6.811 7.331 . 0 0 "[ . 1]" 1
726 5 19 MET HB3 5 54 ALA MB 2.500 . 8.500 7.069 6.811 7.335 . 0 0 "[ . 1]" 1
727 1 19 MET HB3 1 54 ALA MB 2.500 . 8.500 7.068 6.811 7.332 . 0 0 "[ . 1]" 1
728 2 19 MET HB3 2 54 ALA MB 2.500 . 8.500 7.067 6.813 7.336 . 0 0 "[ . 1]" 1
729 3 21 THR MG 3 54 ALA MB 2.500 . 8.500 4.253 3.626 4.658 . 0 0 "[ . 1]" 1
730 4 21 THR MG 4 54 ALA MB 2.500 . 8.500 4.253 3.627 4.658 . 0 0 "[ . 1]" 1
731 5 21 THR MG 5 54 ALA MB 2.500 . 8.500 4.256 3.630 4.661 . 0 0 "[ . 1]" 1
732 1 21 THR MG 1 54 ALA MB 2.500 . 8.500 4.253 3.622 4.658 . 0 0 "[ . 1]" 1
733 2 21 THR MG 2 54 ALA MB 2.500 . 8.500 4.252 3.626 4.660 . 0 0 "[ . 1]" 1
734 3 25 SER HA 3 54 ALA MB 2.500 . 8.500 6.561 6.272 6.736 . 0 0 "[ . 1]" 1
735 4 25 SER HA 4 54 ALA MB 2.500 . 8.500 6.560 6.270 6.736 . 0 0 "[ . 1]" 1
736 5 25 SER HA 5 54 ALA MB 2.500 . 8.500 6.565 6.273 6.743 . 0 0 "[ . 1]" 1
737 1 25 SER HA 1 54 ALA MB 2.500 . 8.500 6.559 6.269 6.736 . 0 0 "[ . 1]" 1
738 2 25 SER HA 2 54 ALA MB 2.500 . 8.500 6.560 6.270 6.736 . 0 0 "[ . 1]" 1
739 3 29 GLN QB 3 54 ALA MB 2.500 . 8.500 6.687 6.331 7.099 . 0 0 "[ . 1]" 1
740 4 29 GLN QB 4 54 ALA MB 2.500 . 8.500 6.688 6.332 7.104 . 0 0 "[ . 1]" 1
741 5 29 GLN QB 5 54 ALA MB 2.500 . 8.500 6.688 6.331 7.101 . 0 0 "[ . 1]" 1
742 1 29 GLN QB 1 54 ALA MB 2.500 . 8.500 6.689 6.330 7.098 . 0 0 "[ . 1]" 1
743 2 29 GLN QB 2 54 ALA MB 2.500 . 8.500 6.688 6.331 7.099 . 0 0 "[ . 1]" 1
744 3 29 GLN QG 3 54 ALA MB 2.500 . 8.500 4.961 4.523 5.382 . 0 0 "[ . 1]" 1
745 4 29 GLN QG 4 54 ALA MB 2.500 . 8.500 4.962 4.523 5.387 . 0 0 "[ . 1]" 1
746 5 29 GLN QG 5 54 ALA MB 2.500 . 8.500 4.961 4.522 5.384 . 0 0 "[ . 1]" 1
747 1 29 GLN QG 1 54 ALA MB 2.500 . 8.500 4.961 4.519 5.379 . 0 0 "[ . 1]" 1
748 2 29 GLN QG 2 54 ALA MB 2.500 . 8.500 4.961 4.523 5.382 . 0 0 "[ . 1]" 1
749 3 46 LEU HA 3 54 ALA MB 2.500 . 8.500 5.386 5.005 5.770 . 0 0 "[ . 1]" 1
750 4 46 LEU HA 4 54 ALA MB 2.500 . 8.500 5.385 5.003 5.767 . 0 0 "[ . 1]" 1
751 5 46 LEU HA 5 54 ALA MB 2.500 . 8.500 5.388 5.002 5.772 . 0 0 "[ . 1]" 1
752 1 46 LEU HA 1 54 ALA MB 2.500 . 8.500 5.386 5.004 5.768 . 0 0 "[ . 1]" 1
753 2 46 LEU HA 2 54 ALA MB 2.500 . 8.500 5.386 5.005 5.768 . 0 0 "[ . 1]" 1
754 3 48 THR HA 3 54 ALA MB 2.500 . 8.500 4.666 4.350 4.996 . 0 0 "[ . 1]" 1
755 4 48 THR HA 4 54 ALA MB 2.500 . 8.500 4.666 4.350 4.994 . 0 0 "[ . 1]" 1
756 5 48 THR HA 5 54 ALA MB 2.500 . 8.500 4.671 4.356 5.002 . 0 0 "[ . 1]" 1
757 1 48 THR HA 1 54 ALA MB 2.500 . 8.500 4.666 4.350 4.994 . 0 0 "[ . 1]" 1
758 2 48 THR HA 2 54 ALA MB 2.500 . 8.500 4.665 4.350 4.992 . 0 0 "[ . 1]" 1
759 3 43 PHE QB 3 54 ALA MB 2.500 . 8.500 7.716 7.243 7.908 . 0 0 "[ . 1]" 1
760 4 43 PHE QB 4 54 ALA MB 2.500 . 8.500 7.716 7.243 7.907 . 0 0 "[ . 1]" 1
761 5 43 PHE QB 5 54 ALA MB 2.500 . 8.500 7.714 7.241 7.908 . 0 0 "[ . 1]" 1
762 1 43 PHE QB 1 54 ALA MB 2.500 . 8.500 7.717 7.244 7.909 . 0 0 "[ . 1]" 1
763 2 43 PHE QB 2 54 ALA MB 2.500 . 8.500 7.716 7.244 7.909 . 0 0 "[ . 1]" 1
764 3 29 GLN QG 3 55 PHE HA 2.500 . 8.500 4.994 4.452 5.341 . 0 0 "[ . 1]" 1
765 4 29 GLN QG 4 55 PHE HA 2.500 . 8.500 4.993 4.451 5.341 . 0 0 "[ . 1]" 1
766 5 29 GLN QG 5 55 PHE HA 2.500 . 8.500 4.995 4.448 5.344 . 0 0 "[ . 1]" 1
767 1 29 GLN QG 1 55 PHE HA 2.500 . 8.500 4.995 4.458 5.343 . 0 0 "[ . 1]" 1
768 2 29 GLN QG 2 55 PHE HA 2.500 . 8.500 4.993 4.452 5.341 . 0 0 "[ . 1]" 1
769 3 27 ALA HA 3 56 GLN H 2.500 . 8.500 5.585 5.369 5.765 . 0 0 "[ . 1]" 1
770 4 27 ALA HA 4 56 GLN H 2.500 . 8.500 5.585 5.370 5.767 . 0 0 "[ . 1]" 1
771 5 27 ALA HA 5 56 GLN H 2.500 . 8.500 5.574 5.374 5.728 . 0 0 "[ . 1]" 1
772 1 27 ALA HA 1 56 GLN H 2.500 . 8.500 5.585 5.357 5.764 . 0 0 "[ . 1]" 1
773 2 27 ALA HA 2 56 GLN H 2.500 . 8.500 5.585 5.367 5.767 . 0 0 "[ . 1]" 1
774 3 19 MET ME 3 56 GLN HA 2.500 . 8.500 7.676 6.307 8.313 . 0 0 "[ . 1]" 1
775 4 19 MET ME 4 56 GLN HA 2.500 . 8.500 7.677 6.307 8.313 . 0 0 "[ . 1]" 1
776 5 19 MET ME 5 56 GLN HA 2.500 . 8.500 7.675 6.307 8.316 . 0 0 "[ . 1]" 1
777 1 19 MET ME 1 56 GLN HA 2.500 . 8.500 7.692 6.316 8.327 . 0 0 "[ . 1]" 1
778 2 19 MET ME 2 56 GLN HA 2.500 . 8.500 7.677 6.311 8.315 . 0 0 "[ . 1]" 1
779 3 29 GLN QG 3 56 GLN HA 2.500 . 8.500 4.927 4.500 5.793 . 0 0 "[ . 1]" 1
780 4 29 GLN QG 4 56 GLN HA 2.500 . 8.500 4.927 4.499 5.790 . 0 0 "[ . 1]" 1
781 5 29 GLN QG 5 56 GLN HA 2.500 . 8.500 4.924 4.495 5.796 . 0 0 "[ . 1]" 1
782 1 29 GLN QG 1 56 GLN HA 2.500 . 8.500 4.931 4.498 5.791 . 0 0 "[ . 1]" 1
783 2 29 GLN QG 2 56 GLN HA 2.500 . 8.500 4.928 4.499 5.794 . 0 0 "[ . 1]" 1
784 3 19 MET HA 3 56 GLN QB 2.500 . 8.500 7.351 7.008 7.606 . 0 0 "[ . 1]" 1
785 4 19 MET HA 4 56 GLN QB 2.500 . 8.500 7.352 7.007 7.609 . 0 0 "[ . 1]" 1
786 5 19 MET HA 5 56 GLN QB 2.500 . 8.500 7.348 7.006 7.601 . 0 0 "[ . 1]" 1
787 1 19 MET HA 1 56 GLN QB 2.500 . 8.500 7.347 7.000 7.605 . 0 0 "[ . 1]" 1
788 2 19 MET HA 2 56 GLN QB 2.500 . 8.500 7.351 7.007 7.609 . 0 0 "[ . 1]" 1
789 3 19 MET HB3 3 56 GLN QB 2.500 . 8.500 7.219 6.914 7.625 . 0 0 "[ . 1]" 1
790 4 19 MET HB3 4 56 GLN QB 2.500 . 8.500 7.220 6.914 7.625 . 0 0 "[ . 1]" 1
791 5 19 MET HB3 5 56 GLN QB 2.500 . 8.500 7.217 6.911 7.624 . 0 0 "[ . 1]" 1
792 1 19 MET HB3 1 56 GLN QB 2.500 . 8.500 7.218 6.914 7.621 . 0 0 "[ . 1]" 1
793 2 19 MET HB3 2 56 GLN QB 2.500 . 8.500 7.219 6.912 7.627 . 0 0 "[ . 1]" 1
794 3 29 GLN QB 3 56 GLN QB 2.500 . 8.500 3.691 3.304 4.573 . 0 0 "[ . 1]" 1
795 4 29 GLN QB 4 56 GLN QB 2.500 . 8.500 3.692 3.304 4.573 . 0 0 "[ . 1]" 1
796 5 29 GLN QB 5 56 GLN QB 2.500 . 8.500 3.691 3.305 4.571 . 0 0 "[ . 1]" 1
797 1 29 GLN QB 1 56 GLN QB 2.500 . 8.500 3.693 3.303 4.571 . 0 0 "[ . 1]" 1
798 2 29 GLN QB 2 56 GLN QB 2.500 . 8.500 3.692 3.304 4.575 . 0 0 "[ . 1]" 1
799 3 29 GLN HA 3 56 GLN QB 2.500 . 8.500 2.909 2.394 3.880 . 0 0 "[ . 1]" 1
800 4 29 GLN HA 4 56 GLN QB 2.500 . 8.500 2.910 2.395 3.881 . 0 0 "[ . 1]" 1
801 5 29 GLN HA 5 56 GLN QB 2.500 . 8.500 2.910 2.397 3.878 . 0 0 "[ . 1]" 1
802 1 29 GLN HA 1 56 GLN QB 2.500 . 8.500 2.910 2.398 3.883 . 0 0 "[ . 1]" 1
803 2 29 GLN HA 2 56 GLN QB 2.500 . 8.500 2.910 2.396 3.882 . 0 0 "[ . 1]" 1
804 3 29 GLN QG 3 56 GLN QB 2.500 . 8.500 2.343 1.826 3.944 . 0 0 "[ . 1]" 1
805 4 29 GLN QG 4 56 GLN QB 2.500 . 8.500 2.344 1.827 3.942 . 0 0 "[ . 1]" 1
806 5 29 GLN QG 5 56 GLN QB 2.500 . 8.500 2.341 1.821 3.942 . 0 0 "[ . 1]" 1
807 1 29 GLN QG 1 56 GLN QB 2.500 . 8.500 2.347 1.825 3.944 . 0 0 "[ . 1]" 1
808 2 29 GLN QG 2 56 GLN QB 2.500 . 8.500 2.344 1.825 3.944 . 0 0 "[ . 1]" 1
809 3 41 GLN HA 3 56 GLN QB 2.500 . 8.500 7.748 6.749 8.082 . 0 0 "[ . 1]" 1
810 4 41 GLN HA 4 56 GLN QB 2.500 . 8.500 7.747 6.749 8.080 . 0 0 "[ . 1]" 1
811 5 41 GLN HA 5 56 GLN QB 2.500 . 8.500 7.751 6.756 8.086 . 0 0 "[ . 1]" 1
812 1 41 GLN HA 1 56 GLN QB 2.500 . 8.500 7.746 6.748 8.081 . 0 0 "[ . 1]" 1
813 2 41 GLN HA 2 56 GLN QB 2.500 . 8.500 7.748 6.748 8.082 . 0 0 "[ . 1]" 1
814 3 31 ILE HA 3 58 GLN HB2 2.500 . 8.500 4.392 3.288 5.105 . 0 0 "[ . 1]" 1
815 4 31 ILE HA 4 58 GLN HB2 2.500 . 8.500 4.394 3.293 5.104 . 0 0 "[ . 1]" 1
816 5 31 ILE HA 5 58 GLN HB2 2.500 . 8.500 4.393 3.294 5.099 . 0 0 "[ . 1]" 1
817 1 31 ILE HA 1 58 GLN HB2 2.500 . 8.500 4.391 3.289 5.104 . 0 0 "[ . 1]" 1
818 2 31 ILE HA 2 58 GLN HB2 2.500 . 8.500 4.394 3.294 5.103 . 0 0 "[ . 1]" 1
819 3 31 ILE MG 3 61 ALA HA 2.500 . 8.500 8.560 8.317 8.644 0.144 3 0 "[ . 1]" 1
820 4 31 ILE MG 4 61 ALA HA 2.500 . 8.500 8.560 8.314 8.642 0.142 3 0 "[ . 1]" 1
821 5 31 ILE MG 5 61 ALA HA 2.500 . 8.500 8.560 8.316 8.640 0.140 3 0 "[ . 1]" 1
822 1 31 ILE MG 1 61 ALA HA 2.500 . 8.500 8.559 8.313 8.640 0.140 3 0 "[ . 1]" 1
823 2 31 ILE MG 2 61 ALA HA 2.500 . 8.500 8.559 8.313 8.642 0.142 3 0 "[ . 1]" 1
824 3 19 MET HA 3 21 THR HA 2.500 . 8.500 6.786 6.681 6.961 . 0 0 "[ . 1]" 1
825 4 19 MET HA 4 21 THR HA 2.500 . 8.500 6.786 6.681 6.964 . 0 0 "[ . 1]" 1
826 5 19 MET HA 5 21 THR HA 2.500 . 8.500 6.787 6.678 6.966 . 0 0 "[ . 1]" 1
827 1 19 MET HA 1 21 THR HA 2.500 . 8.500 6.781 6.680 6.956 . 0 0 "[ . 1]" 1
828 2 19 MET HA 2 21 THR HA 2.500 . 8.500 6.786 6.681 6.961 . 0 0 "[ . 1]" 1
829 3 19 MET HA 3 21 THR HB 2.500 . 8.500 8.123 8.005 8.245 . 0 0 "[ . 1]" 1
830 4 19 MET HA 4 21 THR HB 2.500 . 8.500 8.122 8.008 8.243 . 0 0 "[ . 1]" 1
831 5 19 MET HA 5 21 THR HB 2.500 . 8.500 8.123 8.007 8.245 . 0 0 "[ . 1]" 1
832 1 19 MET HA 1 21 THR HB 2.500 . 8.500 8.121 8.005 8.240 . 0 0 "[ . 1]" 1
833 2 19 MET HA 2 21 THR HB 2.500 . 8.500 8.122 8.007 8.244 . 0 0 "[ . 1]" 1
834 3 19 MET HB2 3 21 THR HB 2.500 . 8.500 8.504 8.348 8.601 0.101 8 0 "[ . 1]" 1
835 4 19 MET HB2 4 21 THR HB 2.500 . 8.500 8.503 8.348 8.599 0.099 8 0 "[ . 1]" 1
836 5 19 MET HB2 5 21 THR HB 2.500 . 8.500 8.503 8.348 8.601 0.101 8 0 "[ . 1]" 1
837 1 19 MET HB2 1 21 THR HB 2.500 . 8.500 8.505 8.344 8.601 0.101 8 0 "[ . 1]" 1
838 2 19 MET HB2 2 21 THR HB 2.500 . 8.500 8.503 8.349 8.600 0.100 8 0 "[ . 1]" 1
839 3 19 MET HB3 3 21 THR MG 2.500 . 8.500 4.693 4.356 5.026 . 0 0 "[ . 1]" 1
840 4 19 MET HB3 4 21 THR MG 2.500 . 8.500 4.693 4.358 5.024 . 0 0 "[ . 1]" 1
841 5 19 MET HB3 5 21 THR MG 2.500 . 8.500 4.693 4.357 5.024 . 0 0 "[ . 1]" 1
842 1 19 MET HB3 1 21 THR MG 2.500 . 8.500 4.697 4.359 5.026 . 0 0 "[ . 1]" 1
843 2 19 MET HB3 2 21 THR MG 2.500 . 8.500 4.693 4.357 5.023 . 0 0 "[ . 1]" 1
844 3 24 HIS HB3 3 26 ILE HA 2.500 . 8.500 7.552 6.740 8.065 . 0 0 "[ . 1]" 1
845 4 24 HIS HB3 4 26 ILE HA 2.500 . 8.500 7.555 6.745 8.063 . 0 0 "[ . 1]" 1
846 5 24 HIS HB3 5 26 ILE HA 2.500 . 8.500 7.552 6.738 8.063 . 0 0 "[ . 1]" 1
847 1 24 HIS HB3 1 26 ILE HA 2.500 . 8.500 7.551 6.734 8.063 . 0 0 "[ . 1]" 1
848 2 24 HIS HB3 2 26 ILE HA 2.500 . 8.500 7.553 6.737 8.059 . 0 0 "[ . 1]" 1
849 3 27 ALA HA 3 29 GLN HA 2.500 . 8.500 6.826 6.691 6.981 . 0 0 "[ . 1]" 1
850 4 27 ALA HA 4 29 GLN HA 2.500 . 8.500 6.825 6.694 6.982 . 0 0 "[ . 1]" 1
851 5 27 ALA HA 5 29 GLN HA 2.500 . 8.500 6.825 6.694 6.981 . 0 0 "[ . 1]" 1
852 1 27 ALA HA 1 29 GLN HA 2.500 . 8.500 6.822 6.684 6.978 . 0 0 "[ . 1]" 1
853 2 27 ALA HA 2 29 GLN HA 2.500 . 8.500 6.826 6.691 6.982 . 0 0 "[ . 1]" 1
854 3 25 SER HB3 3 27 ALA HA 2.500 . 8.500 5.921 5.799 6.082 . 0 0 "[ . 1]" 1
855 4 25 SER HB3 4 27 ALA HA 2.500 . 8.500 5.921 5.797 6.085 . 0 0 "[ . 1]" 1
856 5 25 SER HB3 5 27 ALA HA 2.500 . 8.500 5.920 5.796 6.082 . 0 0 "[ . 1]" 1
857 1 25 SER HB3 1 27 ALA HA 2.500 . 8.500 5.923 5.799 6.083 . 0 0 "[ . 1]" 1
858 2 25 SER HB3 2 27 ALA HA 2.500 . 8.500 5.920 5.801 6.080 . 0 0 "[ . 1]" 1
859 3 27 ALA MB 3 29 GLN QB 2.500 . 8.500 5.183 5.004 5.352 . 0 0 "[ . 1]" 1
860 4 27 ALA MB 4 29 GLN QB 2.500 . 8.500 5.183 5.002 5.353 . 0 0 "[ . 1]" 1
861 5 27 ALA MB 5 29 GLN QB 2.500 . 8.500 5.183 5.004 5.350 . 0 0 "[ . 1]" 1
862 1 27 ALA MB 1 29 GLN QB 2.500 . 8.500 5.185 5.005 5.352 . 0 0 "[ . 1]" 1
863 2 27 ALA MB 2 29 GLN QB 2.500 . 8.500 5.183 5.003 5.353 . 0 0 "[ . 1]" 1
864 3 41 GLN HA 3 43 PHE HA 2.500 . 8.500 6.782 6.585 7.152 . 0 0 "[ . 1]" 1
865 4 41 GLN HA 4 43 PHE HA 2.500 . 8.500 6.783 6.591 7.155 . 0 0 "[ . 1]" 1
866 5 41 GLN HA 5 43 PHE HA 2.500 . 8.500 6.784 6.595 7.150 . 0 0 "[ . 1]" 1
867 1 41 GLN HA 1 43 PHE HA 2.500 . 8.500 6.782 6.585 7.155 . 0 0 "[ . 1]" 1
868 2 41 GLN HA 2 43 PHE HA 2.500 . 8.500 6.782 6.585 7.161 . 0 0 "[ . 1]" 1
869 3 54 ALA HA 3 56 GLN QB 2.500 . 8.500 6.496 6.284 6.895 . 0 0 "[ . 1]" 1
870 4 54 ALA HA 4 56 GLN QB 2.500 . 8.500 6.496 6.283 6.897 . 0 0 "[ . 1]" 1
871 5 54 ALA HA 5 56 GLN QB 2.500 . 8.500 6.496 6.279 6.893 . 0 0 "[ . 1]" 1
872 1 54 ALA HA 1 56 GLN QB 2.500 . 8.500 6.497 6.284 6.899 . 0 0 "[ . 1]" 1
873 2 54 ALA HA 2 56 GLN QB 2.500 . 8.500 6.496 6.284 6.898 . 0 0 "[ . 1]" 1
874 3 16 PHE HA 3 19 MET HB3 2.500 . 8.500 7.151 6.766 7.903 . 0 0 "[ . 1]" 1
875 4 16 PHE HA 4 19 MET HB3 2.500 . 8.500 7.152 6.769 7.903 . 0 0 "[ . 1]" 1
876 5 16 PHE HA 5 19 MET HB3 2.500 . 8.500 7.152 6.769 7.899 . 0 0 "[ . 1]" 1
877 1 16 PHE HA 1 19 MET HB3 2.500 . 8.500 7.148 6.765 7.883 . 0 0 "[ . 1]" 1
878 2 16 PHE HA 2 19 MET HB3 2.500 . 8.500 7.151 6.769 7.900 . 0 0 "[ . 1]" 1
879 3 16 PHE HA 3 19 MET ME 2.500 . 8.500 6.809 6.178 8.324 . 0 0 "[ . 1]" 1
880 4 16 PHE HA 4 19 MET ME 2.500 . 8.500 6.809 6.179 8.322 . 0 0 "[ . 1]" 1
881 5 16 PHE HA 5 19 MET ME 2.500 . 8.500 6.809 6.179 8.320 . 0 0 "[ . 1]" 1
882 1 16 PHE HA 1 19 MET ME 2.500 . 8.500 6.812 6.181 8.316 . 0 0 "[ . 1]" 1
883 2 16 PHE HA 2 19 MET ME 2.500 . 8.500 6.808 6.178 8.322 . 0 0 "[ . 1]" 1
884 3 16 PHE HB3 3 19 MET ME 2.500 . 8.500 5.194 4.740 6.605 . 0 0 "[ . 1]" 1
885 4 16 PHE HB3 4 19 MET ME 2.500 . 8.500 5.194 4.741 6.604 . 0 0 "[ . 1]" 1
886 5 16 PHE HB3 5 19 MET ME 2.500 . 8.500 5.194 4.740 6.602 . 0 0 "[ . 1]" 1
887 1 16 PHE HB3 1 19 MET ME 2.500 . 8.500 5.196 4.739 6.594 . 0 0 "[ . 1]" 1
888 2 16 PHE HB3 2 19 MET ME 2.500 . 8.500 5.193 4.740 6.605 . 0 0 "[ . 1]" 1
889 3 16 PHE HA 3 19 MET HB2 2.500 . 8.500 6.405 6.145 6.803 . 0 0 "[ . 1]" 1
890 4 16 PHE HA 4 19 MET HB2 2.500 . 8.500 6.406 6.145 6.806 . 0 0 "[ . 1]" 1
891 5 16 PHE HA 5 19 MET HB2 2.500 . 8.500 6.405 6.144 6.804 . 0 0 "[ . 1]" 1
892 1 16 PHE HA 1 19 MET HB2 2.500 . 8.500 6.407 6.149 6.801 . 0 0 "[ . 1]" 1
893 2 16 PHE HA 2 19 MET HB2 2.500 . 8.500 6.405 6.142 6.805 . 0 0 "[ . 1]" 1
894 3 22 ASP H 3 25 SER HA 2.500 . 8.500 5.343 4.718 5.636 . 0 0 "[ . 1]" 1
895 4 22 ASP H 4 25 SER HA 2.500 . 8.500 5.345 4.719 5.633 . 0 0 "[ . 1]" 1
896 5 22 ASP H 5 25 SER HA 2.500 . 8.500 5.345 4.720 5.632 . 0 0 "[ . 1]" 1
897 1 22 ASP H 1 25 SER HA 2.500 . 8.500 5.343 4.715 5.634 . 0 0 "[ . 1]" 1
898 2 22 ASP H 2 25 SER HA 2.500 . 8.500 5.346 4.723 5.633 . 0 0 "[ . 1]" 1
899 3 43 PHE HA 3 46 LEU MD2 2.500 . 8.500 7.239 6.583 7.802 . 0 0 "[ . 1]" 1
900 4 43 PHE HA 4 46 LEU MD2 2.500 . 8.500 7.238 6.581 7.798 . 0 0 "[ . 1]" 1
901 5 43 PHE HA 5 46 LEU MD2 2.500 . 8.500 7.237 6.580 7.807 . 0 0 "[ . 1]" 1
902 1 43 PHE HA 1 46 LEU MD2 2.500 . 8.500 7.239 6.583 7.799 . 0 0 "[ . 1]" 1
903 2 43 PHE HA 2 46 LEU MD2 2.500 . 8.500 7.240 6.585 7.802 . 0 0 "[ . 1]" 1
904 3 49 THR HA 3 52 SER H 2.500 . 8.500 4.506 3.985 5.400 . 0 0 "[ . 1]" 1
905 4 49 THR HA 4 52 SER H 2.500 . 8.500 4.507 3.986 5.404 . 0 0 "[ . 1]" 1
906 5 49 THR HA 5 52 SER H 2.500 . 8.500 4.507 3.988 5.408 . 0 0 "[ . 1]" 1
907 1 49 THR HA 1 52 SER H 2.500 . 8.500 4.507 3.980 5.404 . 0 0 "[ . 1]" 1
908 2 49 THR HA 2 52 SER H 2.500 . 8.500 4.506 3.986 5.399 . 0 0 "[ . 1]" 1
909 3 49 THR MG 3 52 SER HB3 2.500 . 8.500 6.369 5.662 7.046 . 0 0 "[ . 1]" 1
910 4 49 THR MG 4 52 SER HB3 2.500 . 8.500 6.369 5.658 7.046 . 0 0 "[ . 1]" 1
911 5 49 THR MG 5 52 SER HB3 2.500 . 8.500 6.372 5.655 7.047 . 0 0 "[ . 1]" 1
912 1 49 THR MG 1 52 SER HB3 2.500 . 8.500 6.369 5.663 7.048 . 0 0 "[ . 1]" 1
913 2 49 THR MG 2 52 SER HB3 2.500 . 8.500 6.369 5.661 7.049 . 0 0 "[ . 1]" 1
914 3 56 GLN HA 3 59 MET ME 2.500 . 8.500 6.024 3.803 8.202 . 0 0 "[ . 1]" 1
915 4 56 GLN HA 4 59 MET ME 2.500 . 8.500 6.024 3.806 8.202 . 0 0 "[ . 1]" 1
916 5 56 GLN HA 5 59 MET ME 2.500 . 8.500 6.026 3.802 8.202 . 0 0 "[ . 1]" 1
917 1 56 GLN HA 1 59 MET ME 2.500 . 8.500 6.024 3.803 8.203 . 0 0 "[ . 1]" 1
918 2 56 GLN HA 2 59 MET ME 2.500 . 8.500 6.023 3.803 8.203 . 0 0 "[ . 1]" 1
919 3 61 ALA HA 3 64 PHE HB3 2.500 . 8.500 3.537 2.386 5.648 . 0 0 "[ . 1]" 1
920 4 61 ALA HA 4 64 PHE HB3 2.500 . 8.500 3.537 2.387 5.650 . 0 0 "[ . 1]" 1
921 5 61 ALA HA 5 64 PHE HB3 2.500 . 8.500 3.540 2.394 5.653 . 0 0 "[ . 1]" 1
922 1 61 ALA HA 1 64 PHE HB3 2.500 . 8.500 3.537 2.390 5.645 . 0 0 "[ . 1]" 1
923 2 61 ALA HA 2 64 PHE HB3 2.500 . 8.500 3.537 2.383 5.651 . 0 0 "[ . 1]" 1
924 3 28 MET HG2 3 31 ILE HA 2.500 . 8.500 7.227 5.977 8.405 . 0 0 "[ . 1]" 1
925 4 28 MET HG2 4 31 ILE HA 2.500 . 8.500 7.227 5.978 8.408 . 0 0 "[ . 1]" 1
926 5 28 MET HG2 5 31 ILE HA 2.500 . 8.500 7.226 5.976 8.410 . 0 0 "[ . 1]" 1
927 1 28 MET HG2 1 31 ILE HA 2.500 . 8.500 7.231 5.977 8.408 . 0 0 "[ . 1]" 1
928 2 28 MET HG2 2 31 ILE HA 2.500 . 8.500 7.225 5.976 8.404 . 0 0 "[ . 1]" 1
929 3 21 THR HB 3 25 SER HA 2.500 . 8.500 4.636 4.415 4.857 . 0 0 "[ . 1]" 1
930 4 21 THR HB 4 25 SER HA 2.500 . 8.500 4.636 4.413 4.857 . 0 0 "[ . 1]" 1
931 5 21 THR HB 5 25 SER HA 2.500 . 8.500 4.637 4.414 4.857 . 0 0 "[ . 1]" 1
932 1 21 THR HB 1 25 SER HA 2.500 . 8.500 4.640 4.410 4.848 . 0 0 "[ . 1]" 1
933 2 21 THR HB 2 25 SER HA 2.500 . 8.500 4.636 4.415 4.859 . 0 0 "[ . 1]" 1
934 3 21 THR MG 3 25 SER HA 2.500 . 8.500 4.767 4.349 5.008 . 0 0 "[ . 1]" 1
935 4 21 THR MG 4 25 SER HA 2.500 . 8.500 4.767 4.350 5.009 . 0 0 "[ . 1]" 1
936 5 21 THR MG 5 25 SER HA 2.500 . 8.500 4.766 4.348 5.007 . 0 0 "[ . 1]" 1
937 1 21 THR MG 1 25 SER HA 2.500 . 8.500 4.766 4.346 5.008 . 0 0 "[ . 1]" 1
938 2 21 THR MG 2 25 SER HA 2.500 . 8.500 4.767 4.351 5.008 . 0 0 "[ . 1]" 1
939 3 21 THR HA 3 25 SER HA 2.500 . 8.500 5.683 5.276 5.996 . 0 0 "[ . 1]" 1
940 4 21 THR HA 4 25 SER HA 2.500 . 8.500 5.683 5.273 5.996 . 0 0 "[ . 1]" 1
941 5 21 THR HA 5 25 SER HA 2.500 . 8.500 5.683 5.274 5.996 . 0 0 "[ . 1]" 1
942 1 21 THR HA 1 25 SER HA 2.500 . 8.500 5.685 5.277 5.995 . 0 0 "[ . 1]" 1
943 2 21 THR HA 2 25 SER HA 2.500 . 8.500 5.683 5.274 5.999 . 0 0 "[ . 1]" 1
944 3 21 THR H 3 25 SER HA 2.500 . 8.500 8.147 7.833 8.291 . 0 0 "[ . 1]" 1
945 4 21 THR H 4 25 SER HA 2.500 . 8.500 8.147 7.833 8.291 . 0 0 "[ . 1]" 1
946 5 21 THR H 5 25 SER HA 2.500 . 8.500 8.147 7.832 8.291 . 0 0 "[ . 1]" 1
947 1 21 THR H 1 25 SER HA 2.500 . 8.500 8.149 7.831 8.285 . 0 0 "[ . 1]" 1
948 2 21 THR H 2 25 SER HA 2.500 . 8.500 8.147 7.832 8.293 . 0 0 "[ . 1]" 1
949 3 21 THR HB 3 25 SER HB3 2.500 . 8.500 3.332 2.495 3.682 . 0 0 "[ . 1]" 1
950 4 21 THR HB 4 25 SER HB3 2.500 . 8.500 3.331 2.491 3.682 . 0 0 "[ . 1]" 1
951 5 21 THR HB 5 25 SER HB3 2.500 . 8.500 3.331 2.494 3.679 . 0 0 "[ . 1]" 1
952 1 21 THR HB 1 25 SER HB3 2.500 . 8.500 3.340 2.498 3.675 . 0 0 "[ . 1]" 1
953 2 21 THR HB 2 25 SER HB3 2.500 . 8.500 3.332 2.497 3.682 . 0 0 "[ . 1]" 1
954 3 21 THR MG 3 25 SER HB3 2.500 . 8.500 3.038 2.209 3.506 . 0 0 "[ . 1]" 1
955 4 21 THR MG 4 25 SER HB3 2.500 . 8.500 3.037 2.205 3.506 . 0 0 "[ . 1]" 1
956 5 21 THR MG 5 25 SER HB3 2.500 . 8.500 3.035 2.204 3.500 . 0 0 "[ . 1]" 1
957 1 21 THR MG 1 25 SER HB3 2.500 . 8.500 3.038 2.207 3.507 . 0 0 "[ . 1]" 1
958 2 21 THR MG 2 25 SER HB3 2.500 . 8.500 3.037 2.202 3.504 . 0 0 "[ . 1]" 1
959 3 21 THR HA 3 25 SER HB2 2.500 . 8.500 2.826 2.692 3.013 . 0 0 "[ . 1]" 1
960 4 21 THR HA 4 25 SER HB2 2.500 . 8.500 2.827 2.694 3.012 . 0 0 "[ . 1]" 1
961 5 21 THR HA 5 25 SER HB2 2.500 . 8.500 2.826 2.693 3.012 . 0 0 "[ . 1]" 1
962 1 21 THR HA 1 25 SER HB2 2.500 . 8.500 2.828 2.699 3.012 . 0 0 "[ . 1]" 1
963 2 21 THR HA 2 25 SER HB2 2.500 . 8.500 2.826 2.689 3.014 . 0 0 "[ . 1]" 1
964 3 21 THR HB 3 25 SER HB2 2.500 . 8.500 2.228 1.878 2.578 . 0 0 "[ . 1]" 1
965 4 21 THR HB 4 25 SER HB2 2.500 . 8.500 2.228 1.879 2.582 . 0 0 "[ . 1]" 1
966 5 21 THR HB 5 25 SER HB2 2.500 . 8.500 2.228 1.878 2.582 . 0 0 "[ . 1]" 1
967 1 21 THR HB 1 25 SER HB2 2.500 . 8.500 2.234 1.871 2.585 . 0 0 "[ . 1]" 1
968 2 21 THR HB 2 25 SER HB2 2.500 . 8.500 2.228 1.878 2.579 . 0 0 "[ . 1]" 1
969 3 28 MET HA 3 32 VAL MG1 2.500 . 8.500 7.682 6.127 8.532 0.032 7 0 "[ . 1]" 1
970 4 28 MET HA 4 32 VAL MG1 2.500 . 8.500 7.681 6.123 8.535 0.035 7 0 "[ . 1]" 1
971 5 28 MET HA 5 32 VAL MG1 2.500 . 8.500 7.681 6.126 8.534 0.034 7 0 "[ . 1]" 1
972 1 28 MET HA 1 32 VAL MG1 2.500 . 8.500 7.683 6.131 8.537 0.037 7 0 "[ . 1]" 1
973 2 28 MET HA 2 32 VAL MG1 2.500 . 8.500 7.682 6.125 8.536 0.036 7 0 "[ . 1]" 1
974 3 28 MET ME 3 32 VAL MG1 2.500 . 8.500 3.502 1.916 5.543 . 0 0 "[ . 1]" 1
975 4 28 MET ME 4 32 VAL MG1 2.500 . 8.500 3.501 1.916 5.542 . 0 0 "[ . 1]" 1
976 5 28 MET ME 5 32 VAL MG1 2.500 . 8.500 3.502 1.918 5.544 . 0 0 "[ . 1]" 1
977 1 28 MET ME 1 32 VAL MG1 2.500 . 8.500 3.502 1.916 5.545 . 0 0 "[ . 1]" 1
978 2 28 MET ME 2 32 VAL MG1 2.500 . 8.500 3.501 1.914 5.541 . 0 0 "[ . 1]" 1
979 3 48 THR HA 3 52 SER HB3 2.500 . 8.500 4.223 3.871 4.638 . 0 0 "[ . 1]" 1
980 4 48 THR HA 4 52 SER HB3 2.500 . 8.500 4.223 3.869 4.636 . 0 0 "[ . 1]" 1
981 5 48 THR HA 5 52 SER HB3 2.500 . 8.500 4.224 3.865 4.631 . 0 0 "[ . 1]" 1
982 1 48 THR HA 1 52 SER HB3 2.500 . 8.500 4.224 3.870 4.633 . 0 0 "[ . 1]" 1
983 2 48 THR HA 2 52 SER HB3 2.500 . 8.500 4.223 3.868 4.635 . 0 0 "[ . 1]" 1
984 3 48 THR HB 3 52 SER HA 2.500 . 8.500 5.563 4.896 7.188 . 0 0 "[ . 1]" 1
985 4 48 THR HB 4 52 SER HA 2.500 . 8.500 5.562 4.897 7.187 . 0 0 "[ . 1]" 1
986 5 48 THR HB 5 52 SER HA 2.500 . 8.500 5.559 4.890 7.184 . 0 0 "[ . 1]" 1
987 1 48 THR HB 1 52 SER HA 2.500 . 8.500 5.563 4.899 7.187 . 0 0 "[ . 1]" 1
988 2 48 THR HB 2 52 SER HA 2.500 . 8.500 5.564 4.897 7.191 . 0 0 "[ . 1]" 1
989 3 48 THR MG 3 52 SER H 2.500 . 8.500 4.293 2.924 5.239 . 0 0 "[ . 1]" 1
990 4 48 THR MG 4 52 SER H 2.500 . 8.500 4.293 2.923 5.238 . 0 0 "[ . 1]" 1
991 5 48 THR MG 5 52 SER H 2.500 . 8.500 4.291 2.926 5.229 . 0 0 "[ . 1]" 1
992 1 48 THR MG 1 52 SER H 2.500 . 8.500 4.293 2.926 5.243 . 0 0 "[ . 1]" 1
993 2 48 THR MG 2 52 SER H 2.500 . 8.500 4.294 2.924 5.238 . 0 0 "[ . 1]" 1
994 3 48 THR MG 3 52 SER HA 2.500 . 8.500 4.792 3.898 5.349 . 0 0 "[ . 1]" 1
995 4 48 THR MG 4 52 SER HA 2.500 . 8.500 4.793 3.899 5.349 . 0 0 "[ . 1]" 1
996 5 48 THR MG 5 52 SER HA 2.500 . 8.500 4.783 3.902 5.332 . 0 0 "[ . 1]" 1
997 1 48 THR MG 1 52 SER HA 2.500 . 8.500 4.791 3.898 5.351 . 0 0 "[ . 1]" 1
998 2 48 THR MG 2 52 SER HA 2.500 . 8.500 4.792 3.901 5.350 . 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 234
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 38.610
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_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 15 LYS 0.057 0.053 1 0 "[ . 1]"
1 17 GLY 0.134 0.046 3 0 "[ . 1]"
1 18 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 LYS 0.000 0.000 . 0 "[ . 1]"
1 22 ASP 0.099 0.099 10 0 "[ . 1]"
1 26 ILE 0.000 0.000 . 0 "[ . 1]"
1 28 MET 0.000 0.000 . 0 "[ . 1]"
1 32 VAL 0.104 0.057 4 0 "[ . 1]"
1 41 GLN 0.000 0.000 . 0 "[ . 1]"
1 42 SER 0.000 0.000 . 0 "[ . 1]"
1 43 PHE 0.191 0.053 1 0 "[ . 1]"
1 44 GLY 0.000 0.000 . 0 "[ . 1]"
1 45 SER 0.038 0.018 2 0 "[ . 1]"
1 46 LEU 0.000 0.000 . 0 "[ . 1]"
1 47 THR 0.000 0.000 . 0 "[ . 1]"
1 48 THR 0.099 0.099 10 0 "[ . 1]"
1 49 THR 0.000 0.000 . 0 "[ . 1]"
1 52 SER 0.000 0.000 . 0 "[ . 1]"
1 53 ARG 0.267 0.081 3 0 "[ . 1]"
1 54 ALA 0.000 0.000 . 0 "[ . 1]"
1 55 PHE 0.000 0.000 . 0 "[ . 1]"
1 56 GLN 0.000 0.000 . 0 "[ . 1]"
1 58 GLN 0.104 0.057 4 0 "[ . 1]"
1 59 MET 0.230 0.097 2 0 "[ . 1]"
1 60 ASP 0.000 0.000 . 0 "[ . 1]"
2 14 GLN 0.000 0.000 . 0 "[ . 1]"
2 15 LYS 0.046 0.044 1 0 "[ . 1]"
2 16 PHE 0.000 0.000 . 0 "[ . 1]"
2 17 GLY 0.139 0.053 3 0 "[ . 1]"
2 18 GLU 0.000 0.000 . 0 "[ . 1]"
2 19 MET 0.038 0.018 2 0 "[ . 1]"
2 20 LYS 0.000 0.000 . 0 "[ . 1]"
2 21 THR 0.000 0.000 . 0 "[ . 1]"
2 22 ASP 0.092 0.092 10 0 "[ . 1]"
2 25 SER 0.246 0.081 3 0 "[ . 1]"
2 26 ILE 0.001 0.001 4 0 "[ . 1]"
2 27 ALA 0.021 0.021 2 0 "[ . 1]"
2 28 MET 0.000 0.000 . 0 "[ . 1]"
2 29 GLN 0.000 0.000 . 0 "[ . 1]"
2 31 ILE 0.120 0.097 2 0 "[ . 1]"
2 32 VAL 0.110 0.056 4 0 "[ . 1]"
2 33 GLY 0.110 0.046 2 0 "[ . 1]"
2 41 GLN 0.000 0.000 . 0 "[ . 1]"
2 42 SER 0.000 0.000 . 0 "[ . 1]"
2 43 PHE 0.185 0.053 3 0 "[ . 1]"
2 44 GLY 0.000 0.000 . 0 "[ . 1]"
2 45 SER 0.057 0.025 2 0 "[ . 1]"
2 46 LEU 0.000 0.000 . 0 "[ . 1]"
2 47 THR 0.000 0.000 . 0 "[ . 1]"
2 48 THR 0.092 0.092 10 0 "[ . 1]"
2 49 THR 0.000 0.000 . 0 "[ . 1]"
2 52 SER 0.001 0.001 4 0 "[ . 1]"
2 53 ARG 0.210 0.063 7 0 "[ . 1]"
2 54 ALA 0.000 0.000 . 0 "[ . 1]"
2 55 PHE 0.000 0.000 . 0 "[ . 1]"
2 56 GLN 0.000 0.000 . 0 "[ . 1]"
2 58 GLN 0.110 0.056 4 0 "[ . 1]"
2 59 MET 0.164 0.068 2 0 "[ . 1]"
2 60 ASP 0.000 0.000 . 0 "[ . 1]"
3 14 GLN 0.000 0.000 . 0 "[ . 1]"
3 15 LYS 0.038 0.033 1 0 "[ . 1]"
3 16 PHE 0.000 0.000 . 0 "[ . 1]"
3 17 GLY 0.137 0.052 3 0 "[ . 1]"
3 18 GLU 0.000 0.000 . 0 "[ . 1]"
3 19 MET 0.057 0.025 2 0 "[ . 1]"
3 20 LYS 0.000 0.000 . 0 "[ . 1]"
3 21 THR 0.000 0.000 . 0 "[ . 1]"
3 22 ASP 0.097 0.097 10 0 "[ . 1]"
3 25 SER 0.191 0.063 7 0 "[ . 1]"
3 26 ILE 0.002 0.002 4 0 "[ . 1]"
3 27 ALA 0.018 0.018 2 0 "[ . 1]"
3 28 MET 0.000 0.000 . 0 "[ . 1]"
3 29 GLN 0.000 0.000 . 0 "[ . 1]"
3 31 ILE 0.080 0.068 2 0 "[ . 1]"
3 32 VAL 0.109 0.057 4 0 "[ . 1]"
3 33 GLY 0.084 0.052 2 0 "[ . 1]"
3 41 GLN 0.000 0.000 7 0 "[ . 1]"
3 42 SER 0.000 0.000 . 0 "[ . 1]"
3 43 PHE 0.174 0.052 3 0 "[ . 1]"
3 44 GLY 0.000 0.000 . 0 "[ . 1]"
3 45 SER 0.057 0.029 5 0 "[ . 1]"
3 46 LEU 0.000 0.000 . 0 "[ . 1]"
3 47 THR 0.000 0.000 . 0 "[ . 1]"
3 48 THR 0.097 0.097 10 0 "[ . 1]"
3 49 THR 0.018 0.018 3 0 "[ . 1]"
3 52 SER 0.002 0.002 4 0 "[ . 1]"
3 53 ARG 0.251 0.071 3 0 "[ . 1]"
3 54 ALA 0.000 0.000 . 0 "[ . 1]"
3 55 PHE 0.000 0.000 . 0 "[ . 1]"
3 56 GLN 0.000 0.000 . 0 "[ . 1]"
3 58 GLN 0.109 0.057 4 0 "[ . 1]"
3 59 MET 0.173 0.074 2 0 "[ . 1]"
3 60 ASP 0.000 0.000 . 0 "[ . 1]"
4 14 GLN 0.000 0.000 . 0 "[ . 1]"
4 15 LYS 0.037 0.037 1 0 "[ . 1]"
4 16 PHE 0.000 0.000 . 0 "[ . 1]"
4 17 GLY 0.136 0.056 3 0 "[ . 1]"
4 18 GLU 0.000 0.000 . 0 "[ . 1]"
4 19 MET 0.057 0.029 5 0 "[ . 1]"
4 20 LYS 0.000 0.000 . 0 "[ . 1]"
4 21 THR 0.018 0.018 3 0 "[ . 1]"
4 22 ASP 0.098 0.098 10 0 "[ . 1]"
4 25 SER 0.215 0.071 3 0 "[ . 1]"
4 26 ILE 0.003 0.003 4 0 "[ . 1]"
4 27 ALA 0.036 0.036 2 0 "[ . 1]"
4 28 MET 0.000 0.000 . 0 "[ . 1]"
4 29 GLN 0.000 0.000 . 0 "[ . 1]"
4 31 ILE 0.078 0.074 2 0 "[ . 1]"
4 32 VAL 0.113 0.057 4 0 "[ . 1]"
4 33 GLY 0.096 0.070 2 0 "[ . 1]"
4 41 GLN 0.000 0.000 . 0 "[ . 1]"
4 42 SER 0.000 0.000 . 0 "[ . 1]"
4 43 PHE 0.173 0.056 3 0 "[ . 1]"
4 44 GLY 0.001 0.001 7 0 "[ . 1]"
4 45 SER 0.098 0.067 2 0 "[ . 1]"
4 46 LEU 0.000 0.000 . 0 "[ . 1]"
4 47 THR 0.000 0.000 . 0 "[ . 1]"
4 48 THR 0.098 0.098 10 0 "[ . 1]"
4 49 THR 0.000 0.000 . 0 "[ . 1]"
4 52 SER 0.003 0.003 4 0 "[ . 1]"
4 53 ARG 0.193 0.063 6 0 "[ . 1]"
4 54 ALA 0.000 0.000 . 0 "[ . 1]"
4 55 PHE 0.000 0.000 . 0 "[ . 1]"
4 56 GLN 0.000 0.000 . 0 "[ . 1]"
4 58 GLN 0.113 0.057 4 0 "[ . 1]"
4 59 MET 0.149 0.056 2 0 "[ . 1]"
4 60 ASP 0.000 0.000 . 0 "[ . 1]"
5 14 GLN 0.000 0.000 . 0 "[ . 1]"
5 15 LYS 0.058 0.045 1 0 "[ . 1]"
5 16 PHE 0.001 0.001 7 0 "[ . 1]"
5 17 GLY 0.137 0.045 3 0 "[ . 1]"
5 18 GLU 0.000 0.000 . 0 "[ . 1]"
5 19 MET 0.098 0.067 2 0 "[ . 1]"
5 20 LYS 0.000 0.000 . 0 "[ . 1]"
5 21 THR 0.000 0.000 . 0 "[ . 1]"
5 22 ASP 0.094 0.094 10 0 "[ . 1]"
5 25 SER 0.165 0.063 6 0 "[ . 1]"
5 26 ILE 0.000 0.000 . 0 "[ . 1]"
5 27 ALA 0.027 0.016 2 0 "[ . 1]"
5 28 MET 0.000 0.000 . 0 "[ . 1]"
5 29 GLN 0.000 0.000 . 0 "[ . 1]"
5 31 ILE 0.094 0.056 2 0 "[ . 1]"
5 32 VAL 0.116 0.057 4 0 "[ . 1]"
5 33 GLY 0.054 0.045 2 0 "[ . 1]"
5 41 GLN 0.005 0.005 7 0 "[ . 1]"
5 43 PHE 0.190 0.045 3 0 "[ . 1]"
5 46 LEU 0.000 0.000 . 0 "[ . 1]"
5 48 THR 0.094 0.094 10 0 "[ . 1]"
5 52 SER 0.000 0.000 . 0 "[ . 1]"
5 54 ALA 0.000 0.000 . 0 "[ . 1]"
5 56 GLN 0.000 0.000 . 0 "[ . 1]"
5 58 GLN 0.116 0.057 4 0 "[ . 1]"
5 60 ASP 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 15 LYS N 1 41 GLN O 2.800 2.600 3.300 2.880 2.667 3.138 . 0 0 "[ . 1]" 2
2 1 15 LYS H 1 41 GLN O 1.800 . 2.300 1.963 1.722 2.297 . 0 0 "[ . 1]" 2
3 1 15 LYS O 1 43 PHE H 1.800 . 2.300 2.053 1.807 2.353 0.053 1 0 "[ . 1]" 2
4 1 15 LYS O 1 43 PHE N 2.800 2.600 3.300 2.872 2.754 3.048 . 0 0 "[ . 1]" 2
5 1 17 GLY N 1 43 PHE O 2.800 2.600 3.300 2.931 2.879 3.011 . 0 0 "[ . 1]" 2
6 1 17 GLY H 1 43 PHE O 1.800 . 2.300 2.268 2.011 2.346 0.046 3 0 "[ . 1]" 2
7 1 18 GLU O 1 46 LEU H 1.800 . 2.300 1.912 1.791 2.090 . 0 0 "[ . 1]" 2
8 1 18 GLU O 1 46 LEU N 2.800 2.600 3.300 2.825 2.681 3.001 . 0 0 "[ . 1]" 2
9 1 20 LYS O 1 48 THR H 1.800 . 2.300 1.898 1.806 1.966 . 0 0 "[ . 1]" 2
10 1 20 LYS O 1 48 THR N 2.800 2.600 3.300 2.820 2.781 2.885 . 0 0 "[ . 1]" 2
11 1 20 LYS N 1 46 LEU O 2.800 2.600 3.300 2.805 2.683 2.928 . 0 0 "[ . 1]" 2
12 1 20 LYS H 1 46 LEU O 1.800 . 2.300 1.873 1.721 2.061 . 0 0 "[ . 1]" 2
13 1 22 ASP N 1 48 THR O 2.800 2.600 3.300 2.930 2.732 3.187 . 0 0 "[ . 1]" 2
14 1 22 ASP H 1 48 THR O 1.800 . 2.300 2.041 1.803 2.399 0.099 10 0 "[ . 1]" 2
15 1 26 ILE O 1 54 ALA H 1.800 . 2.300 1.949 1.795 2.292 . 0 0 "[ . 1]" 2
16 1 26 ILE O 1 54 ALA N 2.800 2.600 3.300 2.885 2.755 3.173 . 0 0 "[ . 1]" 2
17 1 26 ILE N 1 52 SER O 2.800 2.600 3.300 2.967 2.862 3.115 . 0 0 "[ . 1]" 2
18 1 26 ILE H 1 52 SER O 1.800 . 2.300 2.080 1.916 2.299 . 0 0 "[ . 1]" 2
19 1 28 MET O 1 56 GLN H 1.800 . 2.300 1.880 1.790 1.989 . 0 0 "[ . 1]" 2
20 1 28 MET O 1 56 GLN N 2.800 2.600 3.300 2.822 2.737 2.949 . 0 0 "[ . 1]" 2
21 1 28 MET N 1 54 ALA O 2.800 2.600 3.300 2.977 2.862 3.125 . 0 0 "[ . 1]" 2
22 1 28 MET H 1 54 ALA O 1.800 . 2.300 2.058 1.936 2.241 . 0 0 "[ . 1]" 2
23 1 32 VAL O 1 60 ASP H 1.800 . 2.300 1.966 1.746 2.220 . 0 0 "[ . 1]" 2
24 1 32 VAL O 1 60 ASP N 2.800 2.600 3.300 2.902 2.712 3.123 . 0 0 "[ . 1]" 2
25 1 32 VAL N 1 58 GLN O 2.800 2.600 3.300 3.018 2.725 3.167 . 0 0 "[ . 1]" 2
26 1 32 VAL H 1 58 GLN O 1.800 . 2.300 2.134 1.787 2.357 0.057 4 0 "[ . 1]" 2
27 2 15 LYS N 2 41 GLN O 2.800 2.600 3.300 2.881 2.673 3.145 . 0 0 "[ . 1]" 2
28 2 15 LYS H 2 41 GLN O 1.800 . 2.300 1.963 1.726 2.291 . 0 0 "[ . 1]" 2
29 2 15 LYS O 2 43 PHE H 1.800 . 2.300 2.049 1.800 2.344 0.044 1 0 "[ . 1]" 2
30 2 15 LYS O 2 43 PHE N 2.800 2.600 3.300 2.868 2.751 3.044 . 0 0 "[ . 1]" 2
31 2 17 GLY N 2 43 PHE O 2.800 2.600 3.300 2.934 2.877 3.014 . 0 0 "[ . 1]" 2
32 2 17 GLY H 2 43 PHE O 1.800 . 2.300 2.268 1.999 2.353 0.053 3 0 "[ . 1]" 2
33 2 18 GLU O 2 46 LEU H 1.800 . 2.300 1.917 1.795 2.096 . 0 0 "[ . 1]" 2
34 2 18 GLU O 2 46 LEU N 2.800 2.600 3.300 2.830 2.684 3.007 . 0 0 "[ . 1]" 2
35 2 20 LYS O 2 48 THR H 1.800 . 2.300 1.891 1.809 1.963 . 0 0 "[ . 1]" 2
36 2 20 LYS O 2 48 THR N 2.800 2.600 3.300 2.815 2.774 2.881 . 0 0 "[ . 1]" 2
37 2 20 LYS N 2 46 LEU O 2.800 2.600 3.300 2.807 2.686 2.928 . 0 0 "[ . 1]" 2
38 2 20 LYS H 2 46 LEU O 1.800 . 2.300 1.880 1.730 2.072 . 0 0 "[ . 1]" 2
39 2 22 ASP N 2 48 THR O 2.800 2.600 3.300 2.935 2.746 3.186 . 0 0 "[ . 1]" 2
40 2 22 ASP H 2 48 THR O 1.800 . 2.300 2.044 1.817 2.392 0.092 10 0 "[ . 1]" 2
41 2 26 ILE O 2 54 ALA H 1.800 . 2.300 1.950 1.794 2.290 . 0 0 "[ . 1]" 2
42 2 26 ILE O 2 54 ALA N 2.800 2.600 3.300 2.888 2.755 3.173 . 0 0 "[ . 1]" 2
43 2 26 ILE N 2 52 SER O 2.800 2.600 3.300 2.971 2.865 3.114 . 0 0 "[ . 1]" 2
44 2 26 ILE H 2 52 SER O 1.800 . 2.300 2.081 1.917 2.301 0.001 4 0 "[ . 1]" 2
45 2 28 MET O 2 56 GLN H 1.800 . 2.300 1.879 1.786 1.986 . 0 0 "[ . 1]" 2
46 2 28 MET O 2 56 GLN N 2.800 2.600 3.300 2.820 2.734 2.946 . 0 0 "[ . 1]" 2
47 2 28 MET N 2 54 ALA O 2.800 2.600 3.300 2.981 2.862 3.125 . 0 0 "[ . 1]" 2
48 2 28 MET H 2 54 ALA O 1.800 . 2.300 2.062 1.937 2.242 . 0 0 "[ . 1]" 2
49 2 32 VAL O 2 60 ASP H 1.800 . 2.300 1.966 1.740 2.226 . 0 0 "[ . 1]" 2
50 2 32 VAL O 2 60 ASP N 2.800 2.600 3.300 2.903 2.707 3.127 . 0 0 "[ . 1]" 2
51 2 32 VAL N 2 58 GLN O 2.800 2.600 3.300 3.020 2.722 3.171 . 0 0 "[ . 1]" 2
52 2 32 VAL H 2 58 GLN O 1.800 . 2.300 2.136 1.785 2.356 0.056 4 0 "[ . 1]" 2
53 3 15 LYS N 3 41 GLN O 2.800 2.600 3.300 2.882 2.678 3.147 . 0 0 "[ . 1]" 2
54 3 15 LYS H 3 41 GLN O 1.800 . 2.300 1.965 1.734 2.300 0.000 7 0 "[ . 1]" 2
55 3 15 LYS O 3 43 PHE H 1.800 . 2.300 2.047 1.805 2.333 0.033 1 0 "[ . 1]" 2
56 3 15 LYS O 3 43 PHE N 2.800 2.600 3.300 2.866 2.753 3.038 . 0 0 "[ . 1]" 2
57 3 17 GLY N 3 43 PHE O 2.800 2.600 3.300 2.932 2.884 3.017 . 0 0 "[ . 1]" 2
58 3 17 GLY H 3 43 PHE O 1.800 . 2.300 2.266 1.996 2.352 0.052 3 0 "[ . 1]" 2
59 3 18 GLU O 3 46 LEU H 1.800 . 2.300 1.917 1.797 2.091 . 0 0 "[ . 1]" 2
60 3 18 GLU O 3 46 LEU N 2.800 2.600 3.300 2.829 2.688 3.001 . 0 0 "[ . 1]" 2
61 3 20 LYS O 3 48 THR H 1.800 . 2.300 1.892 1.808 1.959 . 0 0 "[ . 1]" 2
62 3 20 LYS O 3 48 THR N 2.800 2.600 3.300 2.815 2.773 2.879 . 0 0 "[ . 1]" 2
63 3 20 LYS N 3 46 LEU O 2.800 2.600 3.300 2.807 2.681 2.929 . 0 0 "[ . 1]" 2
64 3 20 LYS H 3 46 LEU O 1.800 . 2.300 1.879 1.726 2.074 . 0 0 "[ . 1]" 2
65 3 22 ASP N 3 48 THR O 2.800 2.600 3.300 2.935 2.743 3.187 . 0 0 "[ . 1]" 2
66 3 22 ASP H 3 48 THR O 1.800 . 2.300 2.045 1.814 2.397 0.097 10 0 "[ . 1]" 2
67 3 26 ILE O 3 54 ALA H 1.800 . 2.300 1.950 1.797 2.289 . 0 0 "[ . 1]" 2
68 3 26 ILE O 3 54 ALA N 2.800 2.600 3.300 2.887 2.757 3.171 . 0 0 "[ . 1]" 2
69 3 26 ILE N 3 52 SER O 2.800 2.600 3.300 2.969 2.862 3.116 . 0 0 "[ . 1]" 2
70 3 26 ILE H 3 52 SER O 1.800 . 2.300 2.080 1.914 2.302 0.002 4 0 "[ . 1]" 2
71 3 28 MET O 3 56 GLN H 1.800 . 2.300 1.877 1.787 1.987 . 0 0 "[ . 1]" 2
72 3 28 MET O 3 56 GLN N 2.800 2.600 3.300 2.819 2.732 2.947 . 0 0 "[ . 1]" 2
73 3 28 MET N 3 54 ALA O 2.800 2.600 3.300 2.981 2.860 3.124 . 0 0 "[ . 1]" 2
74 3 28 MET H 3 54 ALA O 1.800 . 2.300 2.063 1.934 2.240 . 0 0 "[ . 1]" 2
75 3 32 VAL O 3 60 ASP H 1.800 . 2.300 1.966 1.742 2.227 . 0 0 "[ . 1]" 2
76 3 32 VAL O 3 60 ASP N 2.800 2.600 3.300 2.903 2.709 3.124 . 0 0 "[ . 1]" 2
77 3 32 VAL N 3 58 GLN O 2.800 2.600 3.300 3.020 2.722 3.173 . 0 0 "[ . 1]" 2
78 3 32 VAL H 3 58 GLN O 1.800 . 2.300 2.136 1.783 2.357 0.057 4 0 "[ . 1]" 2
79 4 15 LYS N 4 41 GLN O 2.800 2.600 3.300 2.882 2.673 3.140 . 0 0 "[ . 1]" 2
80 4 15 LYS H 4 41 GLN O 1.800 . 2.300 1.964 1.725 2.286 . 0 0 "[ . 1]" 2
81 4 15 LYS O 4 43 PHE H 1.800 . 2.300 2.047 1.802 2.337 0.037 1 0 "[ . 1]" 2
82 4 15 LYS O 4 43 PHE N 2.800 2.600 3.300 2.867 2.756 3.041 . 0 0 "[ . 1]" 2
83 4 17 GLY N 4 43 PHE O 2.800 2.600 3.300 2.932 2.882 3.015 . 0 0 "[ . 1]" 2
84 4 17 GLY H 4 43 PHE O 1.800 . 2.300 2.268 2.008 2.356 0.056 3 0 "[ . 1]" 2
85 4 18 GLU O 4 46 LEU H 1.800 . 2.300 1.918 1.799 2.094 . 0 0 "[ . 1]" 2
86 4 18 GLU O 4 46 LEU N 2.800 2.600 3.300 2.830 2.688 3.005 . 0 0 "[ . 1]" 2
87 4 20 LYS O 4 48 THR H 1.800 . 2.300 1.892 1.811 1.967 . 0 0 "[ . 1]" 2
88 4 20 LYS O 4 48 THR N 2.800 2.600 3.300 2.817 2.774 2.881 . 0 0 "[ . 1]" 2
89 4 20 LYS N 4 46 LEU O 2.800 2.600 3.300 2.806 2.684 2.929 . 0 0 "[ . 1]" 2
90 4 20 LYS H 4 46 LEU O 1.800 . 2.300 1.879 1.728 2.073 . 0 0 "[ . 1]" 2
91 4 22 ASP N 4 48 THR O 2.800 2.600 3.300 2.936 2.746 3.189 . 0 0 "[ . 1]" 2
92 4 22 ASP H 4 48 THR O 1.800 . 2.300 2.046 1.817 2.398 0.098 10 0 "[ . 1]" 2
93 4 26 ILE O 4 54 ALA H 1.800 . 2.300 1.951 1.795 2.288 . 0 0 "[ . 1]" 2
94 4 26 ILE O 4 54 ALA N 2.800 2.600 3.300 2.888 2.756 3.171 . 0 0 "[ . 1]" 2
95 4 26 ILE N 4 52 SER O 2.800 2.600 3.300 2.969 2.862 3.116 . 0 0 "[ . 1]" 2
96 4 26 ILE H 4 52 SER O 1.800 . 2.300 2.080 1.915 2.303 0.003 4 0 "[ . 1]" 2
97 4 28 MET O 4 56 GLN H 1.800 . 2.300 1.879 1.788 1.985 . 0 0 "[ . 1]" 2
98 4 28 MET O 4 56 GLN N 2.800 2.600 3.300 2.820 2.736 2.945 . 0 0 "[ . 1]" 2
99 4 28 MET N 4 54 ALA O 2.800 2.600 3.300 2.982 2.861 3.127 . 0 0 "[ . 1]" 2
100 4 28 MET H 4 54 ALA O 1.800 . 2.300 2.062 1.934 2.242 . 0 0 "[ . 1]" 2
101 4 32 VAL O 4 60 ASP H 1.800 . 2.300 1.966 1.743 2.226 . 0 0 "[ . 1]" 2
102 4 32 VAL O 4 60 ASP N 2.800 2.600 3.300 2.903 2.711 3.123 . 0 0 "[ . 1]" 2
103 4 32 VAL N 4 58 GLN O 2.800 2.600 3.300 3.020 2.719 3.172 . 0 0 "[ . 1]" 2
104 4 32 VAL H 4 58 GLN O 1.800 . 2.300 2.137 1.781 2.357 0.057 4 0 "[ . 1]" 2
105 5 15 LYS N 5 41 GLN O 2.800 2.600 3.300 2.880 2.673 3.142 . 0 0 "[ . 1]" 2
106 5 15 LYS H 5 41 GLN O 1.800 . 2.300 1.962 1.728 2.305 0.005 7 0 "[ . 1]" 2
107 5 15 LYS O 5 43 PHE H 1.800 . 2.300 2.051 1.804 2.345 0.045 1 0 "[ . 1]" 2
108 5 15 LYS O 5 43 PHE N 2.800 2.600 3.300 2.869 2.753 3.038 . 0 0 "[ . 1]" 2
109 5 17 GLY N 5 43 PHE O 2.800 2.600 3.300 2.933 2.887 3.024 . 0 0 "[ . 1]" 2
110 5 17 GLY H 5 43 PHE O 1.800 . 2.300 2.268 2.005 2.345 0.045 3 0 "[ . 1]" 2
111 5 18 GLU O 5 46 LEU H 1.800 . 2.300 1.911 1.788 2.090 . 0 0 "[ . 1]" 2
112 5 18 GLU O 5 46 LEU N 2.800 2.600 3.300 2.824 2.679 2.999 . 0 0 "[ . 1]" 2
113 5 20 LYS O 5 48 THR H 1.800 . 2.300 1.889 1.800 1.961 . 0 0 "[ . 1]" 2
114 5 20 LYS O 5 48 THR N 2.800 2.600 3.300 2.814 2.775 2.882 . 0 0 "[ . 1]" 2
115 5 20 LYS N 5 46 LEU O 2.800 2.600 3.300 2.802 2.668 2.927 . 0 0 "[ . 1]" 2
116 5 20 LYS H 5 46 LEU O 1.800 . 2.300 1.875 1.708 2.073 . 0 0 "[ . 1]" 2
117 5 22 ASP N 5 48 THR O 2.800 2.600 3.300 2.934 2.739 3.185 . 0 0 "[ . 1]" 2
118 5 22 ASP H 5 48 THR O 1.800 . 2.300 2.044 1.812 2.394 0.094 10 0 "[ . 1]" 2
119 5 26 ILE O 5 54 ALA H 1.800 . 2.300 1.947 1.789 2.286 . 0 0 "[ . 1]" 2
120 5 26 ILE O 5 54 ALA N 2.800 2.600 3.300 2.883 2.748 3.167 . 0 0 "[ . 1]" 2
121 5 26 ILE N 5 52 SER O 2.800 2.600 3.300 2.970 2.858 3.114 . 0 0 "[ . 1]" 2
122 5 26 ILE H 5 52 SER O 1.800 . 2.300 2.083 1.911 2.299 . 0 0 "[ . 1]" 2
123 5 28 MET O 5 56 GLN H 1.800 . 2.300 1.872 1.776 1.989 . 0 0 "[ . 1]" 2
124 5 28 MET O 5 56 GLN N 2.800 2.600 3.300 2.817 2.727 2.946 . 0 0 "[ . 1]" 2
125 5 28 MET N 5 54 ALA O 2.800 2.600 3.300 2.979 2.859 3.125 . 0 0 "[ . 1]" 2
126 5 28 MET H 5 54 ALA O 1.800 . 2.300 2.059 1.932 2.238 . 0 0 "[ . 1]" 2
127 5 32 VAL O 5 60 ASP H 1.800 . 2.300 1.960 1.750 2.209 . 0 0 "[ . 1]" 2
128 5 32 VAL O 5 60 ASP N 2.800 2.600 3.300 2.897 2.716 3.118 . 0 0 "[ . 1]" 2
129 5 32 VAL N 5 58 GLN O 2.800 2.600 3.300 3.018 2.719 3.171 . 0 0 "[ . 1]" 2
130 5 32 VAL H 5 58 GLN O 1.800 . 2.300 2.136 1.786 2.357 0.057 4 0 "[ . 1]" 2
131 1 42 SER N 2 14 GLN O 2.800 2.600 3.300 2.938 2.688 3.205 . 0 0 "[ . 1]" 2
132 1 42 SER H 2 14 GLN O 1.800 . 2.300 2.013 1.737 2.296 . 0 0 "[ . 1]" 2
133 1 44 GLY N 2 16 PHE O 2.800 2.600 3.300 2.890 2.783 3.097 . 0 0 "[ . 1]" 2
134 1 44 GLY H 2 16 PHE O 1.800 . 2.300 2.165 2.006 2.298 . 0 0 "[ . 1]" 2
135 1 42 SER O 2 16 PHE H 1.800 . 2.300 1.793 1.726 1.948 . 0 0 "[ . 1]" 2
136 1 42 SER O 2 16 PHE N 2.800 2.600 3.300 2.726 2.650 2.831 . 0 0 "[ . 1]" 2
137 1 45 SER O 2 19 MET H 1.800 . 2.300 2.234 2.064 2.318 0.018 2 0 "[ . 1]" 2
138 1 45 SER O 2 19 MET N 2.800 2.600 3.300 3.152 3.037 3.225 . 0 0 "[ . 1]" 2
139 1 47 THR O 2 21 THR H 1.800 . 2.300 1.813 1.755 1.960 . 0 0 "[ . 1]" 2
140 1 47 THR O 2 21 THR N 2.800 2.600 3.300 2.782 2.726 2.943 . 0 0 "[ . 1]" 2
141 1 47 THR N 2 19 MET O 2.800 2.600 3.300 3.016 2.890 3.123 . 0 0 "[ . 1]" 2
142 1 47 THR H 2 19 MET O 1.800 . 2.300 2.054 1.912 2.161 . 0 0 "[ . 1]" 2
143 1 49 THR N 2 21 THR O 2.800 2.600 3.300 2.973 2.816 3.078 . 0 0 "[ . 1]" 2
144 1 49 THR H 2 21 THR O 1.800 . 2.300 2.068 1.890 2.274 . 0 0 "[ . 1]" 2
145 1 53 ARG O 2 27 ALA H 1.800 . 2.300 2.186 2.035 2.321 0.021 2 0 "[ . 1]" 2
146 1 53 ARG O 2 27 ALA N 2.800 2.600 3.300 3.122 2.991 3.237 . 0 0 "[ . 1]" 2
147 1 55 PHE O 2 29 GLN H 1.800 . 2.300 1.797 1.666 1.997 . 0 0 "[ . 1]" 2
148 1 55 PHE O 2 29 GLN N 2.800 2.600 3.300 2.750 2.645 2.897 . 0 0 "[ . 1]" 2
149 1 53 ARG N 2 25 SER O 2.800 2.600 3.300 3.139 2.961 3.253 . 0 0 "[ . 1]" 2
150 1 53 ARG H 2 25 SER O 1.800 . 2.300 2.264 2.031 2.381 0.081 3 0 "[ . 1]" 2
151 1 55 PHE N 2 27 ALA O 2.800 2.600 3.300 3.039 2.929 3.107 . 0 0 "[ . 1]" 2
152 1 55 PHE H 2 27 ALA O 1.800 . 2.300 2.105 1.986 2.177 . 0 0 "[ . 1]" 2
153 1 59 MET O 2 33 GLY H 1.800 . 2.300 2.074 1.815 2.346 0.046 2 0 "[ . 1]" 2
154 1 59 MET O 2 33 GLY N 2.800 2.600 3.300 2.981 2.776 3.216 . 0 0 "[ . 1]" 2
155 1 59 MET N 2 31 ILE O 2.800 2.600 3.300 3.000 2.781 3.246 . 0 0 "[ . 1]" 2
156 1 59 MET H 2 31 ILE O 1.800 . 2.300 2.073 1.801 2.397 0.097 2 0 "[ . 1]" 2
157 2 42 SER N 3 14 GLN O 2.800 2.600 3.300 2.939 2.688 3.183 . 0 0 "[ . 1]" 2
158 2 42 SER H 3 14 GLN O 1.800 . 2.300 2.014 1.730 2.280 . 0 0 "[ . 1]" 2
159 2 44 GLY N 3 16 PHE O 2.800 2.600 3.300 2.894 2.805 3.110 . 0 0 "[ . 1]" 2
160 2 44 GLY H 3 16 PHE O 1.800 . 2.300 2.169 2.005 2.297 . 0 0 "[ . 1]" 2
161 2 42 SER O 3 16 PHE H 1.800 . 2.300 1.779 1.709 1.903 . 0 0 "[ . 1]" 2
162 2 42 SER O 3 16 PHE N 2.800 2.600 3.300 2.715 2.645 2.800 . 0 0 "[ . 1]" 2
163 2 45 SER O 3 19 MET H 1.800 . 2.300 2.234 2.063 2.325 0.025 2 0 "[ . 1]" 2
164 2 45 SER O 3 19 MET N 2.800 2.600 3.300 3.150 3.031 3.219 . 0 0 "[ . 1]" 2
165 2 47 THR O 3 21 THR H 1.800 . 2.300 1.807 1.743 1.961 . 0 0 "[ . 1]" 2
166 2 47 THR O 3 21 THR N 2.800 2.600 3.300 2.776 2.717 2.941 . 0 0 "[ . 1]" 2
167 2 47 THR N 3 19 MET O 2.800 2.600 3.300 3.019 2.870 3.116 . 0 0 "[ . 1]" 2
168 2 47 THR H 3 19 MET O 1.800 . 2.300 2.057 1.892 2.155 . 0 0 "[ . 1]" 2
169 2 49 THR N 3 21 THR O 2.800 2.600 3.300 2.969 2.809 3.100 . 0 0 "[ . 1]" 2
170 2 49 THR H 3 21 THR O 1.800 . 2.300 2.062 1.886 2.285 . 0 0 "[ . 1]" 2
171 2 53 ARG O 3 27 ALA H 1.800 . 2.300 2.177 2.004 2.318 0.018 2 0 "[ . 1]" 2
172 2 53 ARG O 3 27 ALA N 2.800 2.600 3.300 3.114 2.973 3.240 . 0 0 "[ . 1]" 2
173 2 55 PHE O 3 29 GLN H 1.800 . 2.300 1.790 1.686 1.959 . 0 0 "[ . 1]" 2
174 2 55 PHE O 3 29 GLN N 2.800 2.600 3.300 2.742 2.640 2.867 . 0 0 "[ . 1]" 2
175 2 53 ARG N 3 25 SER O 2.800 2.600 3.300 3.128 2.945 3.223 . 0 0 "[ . 1]" 2
176 2 53 ARG H 3 25 SER O 1.800 . 2.300 2.252 1.986 2.363 0.063 7 0 "[ . 1]" 2
177 2 55 PHE N 3 27 ALA O 2.800 2.600 3.300 3.025 2.949 3.116 . 0 0 "[ . 1]" 2
178 2 55 PHE H 3 27 ALA O 1.800 . 2.300 2.091 2.010 2.173 . 0 0 "[ . 1]" 2
179 2 59 MET O 3 33 GLY H 1.800 . 2.300 2.070 1.820 2.352 0.052 2 0 "[ . 1]" 2
180 2 59 MET O 3 33 GLY N 2.800 2.600 3.300 2.977 2.756 3.230 . 0 0 "[ . 1]" 2
181 2 59 MET N 3 31 ILE O 2.800 2.600 3.300 2.981 2.773 3.226 . 0 0 "[ . 1]" 2
182 2 59 MET H 3 31 ILE O 1.800 . 2.300 2.052 1.835 2.368 0.068 2 0 "[ . 1]" 2
183 3 42 SER N 4 14 GLN O 2.800 2.600 3.300 2.945 2.688 3.217 . 0 0 "[ . 1]" 2
184 3 42 SER H 4 14 GLN O 1.800 . 2.300 2.020 1.735 2.281 . 0 0 "[ . 1]" 2
185 3 44 GLY N 4 16 PHE O 2.800 2.600 3.300 2.886 2.799 3.120 . 0 0 "[ . 1]" 2
186 3 44 GLY H 4 16 PHE O 1.800 . 2.300 2.161 2.007 2.299 . 0 0 "[ . 1]" 2
187 3 42 SER O 4 16 PHE H 1.800 . 2.300 1.783 1.704 1.885 . 0 0 "[ . 1]" 2
188 3 42 SER O 4 16 PHE N 2.800 2.600 3.300 2.720 2.652 2.785 . 0 0 "[ . 1]" 2
189 3 45 SER O 4 19 MET H 1.800 . 2.300 2.234 2.033 2.329 0.029 5 0 "[ . 1]" 2
190 3 45 SER O 4 19 MET N 2.800 2.600 3.300 3.147 3.000 3.227 . 0 0 "[ . 1]" 2
191 3 47 THR O 4 21 THR H 1.800 . 2.300 1.807 1.720 1.976 . 0 0 "[ . 1]" 2
192 3 47 THR O 4 21 THR N 2.800 2.600 3.300 2.775 2.700 2.957 . 0 0 "[ . 1]" 2
193 3 47 THR N 4 19 MET O 2.800 2.600 3.300 3.008 2.878 3.132 . 0 0 "[ . 1]" 2
194 3 47 THR H 4 19 MET O 1.800 . 2.300 2.047 1.899 2.172 . 0 0 "[ . 1]" 2
195 3 49 THR N 4 21 THR O 2.800 2.600 3.300 2.963 2.830 3.099 . 0 0 "[ . 1]" 2
196 3 49 THR H 4 21 THR O 1.800 . 2.300 2.057 1.897 2.318 0.018 3 0 "[ . 1]" 2
197 3 53 ARG O 4 27 ALA H 1.800 . 2.300 2.175 1.968 2.336 0.036 2 0 "[ . 1]" 2
198 3 53 ARG O 4 27 ALA N 2.800 2.600 3.300 3.112 2.941 3.255 . 0 0 "[ . 1]" 2
199 3 55 PHE O 4 29 GLN H 1.800 . 2.300 1.793 1.673 1.953 . 0 0 "[ . 1]" 2
200 3 55 PHE O 4 29 GLN N 2.800 2.600 3.300 2.746 2.640 2.875 . 0 0 "[ . 1]" 2
201 3 53 ARG N 4 25 SER O 2.800 2.600 3.300 3.134 2.919 3.227 . 0 0 "[ . 1]" 2
202 3 53 ARG H 4 25 SER O 1.800 . 2.300 2.259 1.960 2.371 0.071 3 0 "[ . 1]" 2
203 3 55 PHE N 4 27 ALA O 2.800 2.600 3.300 3.037 2.960 3.116 . 0 0 "[ . 1]" 2
204 3 55 PHE H 4 27 ALA O 1.800 . 2.300 2.105 2.013 2.185 . 0 0 "[ . 1]" 2
205 3 59 MET O 4 33 GLY H 1.800 . 2.300 2.080 1.812 2.370 0.070 2 0 "[ . 1]" 2
206 3 59 MET O 4 33 GLY N 2.800 2.600 3.300 2.990 2.788 3.250 . 0 0 "[ . 1]" 2
207 3 59 MET N 4 31 ILE O 2.800 2.600 3.300 2.990 2.789 3.235 . 0 0 "[ . 1]" 2
208 3 59 MET H 4 31 ILE O 1.800 . 2.300 2.059 1.841 2.374 0.074 2 0 "[ . 1]" 2
209 4 42 SER N 5 14 GLN O 2.800 2.600 3.300 2.929 2.695 3.186 . 0 0 "[ . 1]" 2
210 4 42 SER H 5 14 GLN O 1.800 . 2.300 2.000 1.738 2.270 . 0 0 "[ . 1]" 2
211 4 44 GLY N 5 16 PHE O 2.800 2.600 3.300 2.889 2.757 3.143 . 0 0 "[ . 1]" 2
212 4 44 GLY H 5 16 PHE O 1.800 . 2.300 2.161 1.971 2.301 0.001 7 0 "[ . 1]" 2
213 4 42 SER O 5 16 PHE H 1.800 . 2.300 1.794 1.721 1.930 . 0 0 "[ . 1]" 2
214 4 42 SER O 5 16 PHE N 2.800 2.600 3.300 2.728 2.650 2.827 . 0 0 "[ . 1]" 2
215 4 45 SER O 5 19 MET H 1.800 . 2.300 2.251 2.021 2.367 0.067 2 0 "[ . 1]" 2
216 4 45 SER O 5 19 MET N 2.800 2.600 3.300 3.165 2.986 3.279 . 0 0 "[ . 1]" 2
217 4 47 THR O 5 21 THR H 1.800 . 2.300 1.826 1.724 2.005 . 0 0 "[ . 1]" 2
218 4 47 THR O 5 21 THR N 2.800 2.600 3.300 2.795 2.688 2.961 . 0 0 "[ . 1]" 2
219 4 47 THR N 5 19 MET O 2.800 2.600 3.300 3.018 2.906 3.122 . 0 0 "[ . 1]" 2
220 4 47 THR H 5 19 MET O 1.800 . 2.300 2.055 1.941 2.163 . 0 0 "[ . 1]" 2
221 4 49 THR N 5 21 THR O 2.800 2.600 3.300 2.971 2.861 3.067 . 0 0 "[ . 1]" 2
222 4 49 THR H 5 21 THR O 1.800 . 2.300 2.060 1.931 2.250 . 0 0 "[ . 1]" 2
223 4 53 ARG O 5 27 ALA H 1.800 . 2.300 2.179 2.018 2.316 0.016 2 0 "[ . 1]" 2
224 4 53 ARG O 5 27 ALA N 2.800 2.600 3.300 3.118 2.987 3.240 . 0 0 "[ . 1]" 2
225 4 55 PHE O 5 29 GLN H 1.800 . 2.300 1.793 1.665 1.950 . 0 0 "[ . 1]" 2
226 4 55 PHE O 5 29 GLN N 2.800 2.600 3.300 2.746 2.644 2.863 . 0 0 "[ . 1]" 2
227 4 53 ARG N 5 25 SER O 2.800 2.600 3.300 3.123 2.948 3.225 . 0 0 "[ . 1]" 2
228 4 53 ARG H 5 25 SER O 1.800 . 2.300 2.243 1.989 2.363 0.063 6 0 "[ . 1]" 2
229 4 55 PHE N 5 27 ALA O 2.800 2.600 3.300 3.029 2.939 3.106 . 0 0 "[ . 1]" 2
230 4 55 PHE H 5 27 ALA O 1.800 . 2.300 2.094 1.995 2.178 . 0 0 "[ . 1]" 2
231 4 59 MET O 5 33 GLY H 1.800 . 2.300 2.079 1.831 2.345 0.045 2 0 "[ . 1]" 2
232 4 59 MET O 5 33 GLY N 2.800 2.600 3.300 2.982 2.795 3.214 . 0 0 "[ . 1]" 2
233 4 59 MET N 5 31 ILE O 2.800 2.600 3.300 2.992 2.797 3.232 . 0 0 "[ . 1]" 2
234 4 59 MET H 5 31 ILE O 1.800 . 2.300 2.067 1.819 2.356 0.056 2 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 12:37:22 PM GMT (wattos1)