NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605308 |
2nbw   |
25825 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbw
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 65
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 1.499
_Distance_constraint_stats_list.Viol_max 0.017
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0037
_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 33 ALA 0.005 0.004 1 0 "[ . 1]"
1 35 THR 0.000 0.000 . 0 "[ . 1]"
1 60 ASP 0.000 0.000 . 0 "[ . 1]"
1 62 THR 0.000 0.000 . 0 "[ . 1]"
1 63 THR 0.009 0.005 6 0 "[ . 1]"
1 66 MET 0.060 0.017 1 0 "[ . 1]"
1 67 ASP 0.006 0.004 8 0 "[ . 1]"
1 70 LEU 0.004 0.004 6 0 "[ . 1]"
1 98 GLU 0.000 0.000 . 0 "[ . 1]"
1 99 GLN 0.000 0.000 . 0 "[ . 1]"
1 102 ASP 0.000 0.000 . 0 "[ . 1]"
1 103 VAL 0.011 0.004 8 0 "[ . 1]"
1 105 GLU 0.000 0.000 . 0 "[ . 1]"
1 106 THR 0.002 0.002 5 0 "[ . 1]"
1 109 ALA 0.023 0.008 5 0 "[ . 1]"
1 110 ILE 0.031 0.005 9 0 "[ . 1]"
2 9 PHE 0.018 0.005 6 0 "[ . 1]"
2 10 LYS 0.000 0.000 . 0 "[ . 1]"
2 11 LYS 0.000 0.000 . 0 "[ . 1]"
2 43 LYS 0.000 0.000 . 0 "[ . 1]"
2 45 ILE 0.091 0.017 1 0 "[ . 1]"
2 49 LYS 0.000 0.000 . 0 "[ . 1]"
2 50 VAL 0.022 0.008 5 0 "[ . 1]"
2 69 VAL 0.000 0.000 . 0 "[ . 1]"
2 71 MET 0.006 0.004 6 0 "[ . 1]"
2 73 SER 0.002 0.002 5 0 "[ . 1]"
2 74 GLN 0.000 0.000 . 0 "[ . 1]"
2 75 LYS 0.011 0.004 8 0 "[ . 1]"
2 76 LYS 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 33 ALA MB 2 74 GLN QB 5.000 . 5.500 2.670 2.091 3.445 . 0 0 "[ . 1]" 1
2 1 33 ALA MB 2 74 GLN QG 5.000 . 5.500 3.357 2.337 4.834 . 0 0 "[ . 1]" 1
3 1 33 ALA MB 2 75 LYS HA 5.000 . 5.500 4.976 3.710 5.504 0.004 1 0 "[ . 1]" 1
4 1 33 ALA MB 2 75 LYS QD 5.000 . 5.500 4.745 3.842 5.501 0.001 2 0 "[ . 1]" 1
5 1 35 THR MG 2 75 LYS QG 5.000 . 5.500 4.244 3.075 4.808 . 0 0 "[ . 1]" 1
6 1 35 THR MG 2 75 LYS QD 5.000 . 5.500 4.292 3.069 5.411 . 0 0 "[ . 1]" 1
7 1 35 THR MG 2 75 LYS QE 5.000 . 5.500 4.085 2.617 5.497 . 0 0 "[ . 1]" 1
8 1 60 ASP HA 2 10 LYS QE 5.000 . 5.500 5.106 4.550 5.468 . 0 0 "[ . 1]" 1
9 1 62 THR MG 2 9 PHE QE 5.000 . 5.500 3.507 2.673 4.773 . 0 0 "[ . 1]" 1
10 1 63 THR HA 2 71 MET ME 5.000 . 5.500 3.251 2.464 4.215 . 0 0 "[ . 1]" 1
11 1 63 THR MG 2 71 MET ME 4.000 . 4.500 2.776 2.012 3.674 . 0 0 "[ . 1]" 1
12 1 63 THR MG 2 9 PHE QD 5.000 . 5.500 3.651 2.841 5.014 . 0 0 "[ . 1]" 1
13 1 63 THR MG 2 9 PHE QE 5.000 . 5.500 4.237 2.281 5.505 0.005 6 0 "[ . 1]" 1
14 1 63 THR MG 2 9 PHE QB 5.000 . 5.500 3.673 2.357 4.699 . 0 0 "[ . 1]" 1
15 1 63 THR MG 2 73 SER HA 5.000 . 5.500 3.909 2.986 5.502 0.002 5 0 "[ . 1]" 1
16 1 66 MET ME 2 9 PHE QD 5.000 . 5.500 4.257 3.155 5.008 . 0 0 "[ . 1]" 1
17 1 66 MET ME 2 9 PHE QE 5.000 . 5.500 3.132 2.470 3.982 . 0 0 "[ . 1]" 1
18 1 66 MET ME 2 45 ILE MD 5.000 . 5.500 5.497 5.440 5.517 0.017 1 0 "[ . 1]" 1
19 1 66 MET HA 2 71 MET ME 5.000 . 5.500 5.212 4.865 5.502 0.002 6 0 "[ . 1]" 1
20 1 67 ASP HA 2 71 MET ME 5.000 . 5.500 4.267 3.653 5.388 . 0 0 "[ . 1]" 1
21 1 67 ASP QB 2 71 MET ME 6.000 . 6.500 4.582 4.141 5.355 . 0 0 "[ . 1]" 1
22 1 67 ASP HA 2 75 LYS QE 5.000 . 5.500 5.141 4.277 5.504 0.004 8 0 "[ . 1]" 1
23 1 70 LEU MD1 2 43 LYS QD 5.000 . 5.500 4.051 3.128 5.426 . 0 0 "[ . 1]" 1
24 1 70 LEU MD1 2 43 LYS QE 5.000 . 5.500 3.560 2.605 5.417 . 0 0 "[ . 1]" 1
25 1 70 LEU MD1 2 71 MET ME 5.000 . 5.500 3.785 2.801 5.018 . 0 0 "[ . 1]" 1
26 1 70 LEU MD2 2 71 MET ME 5.000 . 5.500 4.859 3.981 5.504 0.004 6 0 "[ . 1]" 1
27 1 98 GLU HA 2 11 LYS QE 5.000 . 5.500 4.520 3.862 5.179 . 0 0 "[ . 1]" 1
28 1 99 GLN HA 2 11 LYS QE 5.000 . 5.500 3.789 2.085 5.006 . 0 0 "[ . 1]" 1
29 1 102 ASP HA 2 69 VAL QG 5.000 . 5.500 4.866 4.469 5.362 . 0 0 "[ . 1]" 1
30 1 103 VAL MG1 2 9 PHE QD 5.000 . 5.500 5.417 5.322 5.504 0.004 8 0 "[ . 1]" 1
31 1 103 VAL MG1 2 9 PHE QE 5.000 . 5.500 4.084 3.625 5.087 . 0 0 "[ . 1]" 1
32 1 103 VAL MG2 2 9 PHE QD 5.000 . 5.500 3.835 3.069 4.214 . 0 0 "[ . 1]" 1
33 1 103 VAL MG2 2 9 PHE QE 5.000 . 5.500 2.897 2.067 4.555 . 0 0 "[ . 1]" 1
34 1 105 GLU QG 2 69 VAL MG1 5.000 . 5.500 3.273 3.076 3.628 . 0 0 "[ . 1]" 1
35 1 105 GLU QG 2 69 VAL MG2 5.000 . 5.500 3.765 3.571 3.964 . 0 0 "[ . 1]" 1
36 1 106 THR MG 2 69 VAL MG1 5.000 . 5.500 3.316 3.168 3.492 . 0 0 "[ . 1]" 1
37 1 106 THR MG 2 69 VAL MG2 5.000 . 5.500 5.178 5.048 5.359 . 0 0 "[ . 1]" 1
38 1 106 THR MG 2 69 VAL HA 6.000 . 6.500 6.273 6.063 6.473 . 0 0 "[ . 1]" 1
39 1 106 THR MG 2 9 PHE QD 5.000 . 5.500 3.684 2.758 4.316 . 0 0 "[ . 1]" 1
40 1 106 THR MG 2 9 PHE QE 5.000 . 5.500 3.027 2.214 4.401 . 0 0 "[ . 1]" 1
41 1 106 THR MG 2 45 ILE MD 5.000 . 5.500 2.536 2.291 3.050 . 0 0 "[ . 1]" 1
42 1 106 THR MG 2 45 ILE MG 5.000 . 5.500 4.129 3.658 4.747 . 0 0 "[ . 1]" 1
43 1 106 THR MG 2 45 ILE QG 5.000 . 5.500 4.185 3.614 4.852 . 0 0 "[ . 1]" 1
44 1 106 THR MG 2 45 ILE HB 5.000 . 5.500 4.971 4.677 5.502 0.002 5 0 "[ . 1]" 1
45 1 106 THR MG 2 71 MET QB 5.000 . 5.500 3.409 3.013 3.998 . 0 0 "[ . 1]" 1
46 1 106 THR MG 2 71 MET ME 5.000 . 5.500 3.489 3.102 4.369 . 0 0 "[ . 1]" 1
47 1 106 THR HA 2 45 ILE MD 5.000 . 5.500 3.736 3.505 4.031 . 0 0 "[ . 1]" 1
48 1 106 THR HA 2 69 VAL QG 5.000 . 5.500 4.411 4.284 4.646 . 0 0 "[ . 1]" 1
49 1 106 THR HB 2 45 ILE MD 5.000 . 5.500 4.602 4.390 4.976 . 0 0 "[ . 1]" 1
50 1 109 ALA MB 2 45 ILE MD 5.000 2.800 5.500 3.504 2.799 3.882 0.001 5 0 "[ . 1]" 1
51 1 109 ALA MB 2 45 ILE QG 5.000 . 5.500 4.107 3.613 4.448 . 0 0 "[ . 1]" 1
52 1 109 ALA MB 2 45 ILE MG 5.000 . 5.500 2.559 2.275 2.809 . 0 0 "[ . 1]" 1
53 1 109 ALA MB 2 45 ILE HB 6.000 . 6.500 4.713 4.154 5.044 . 0 0 "[ . 1]" 1
54 1 109 ALA MB 2 49 LYS HA 5.000 . 5.500 3.298 2.595 4.297 . 0 0 "[ . 1]" 1
55 1 109 ALA MB 2 50 VAL MG1 5.000 . 5.500 4.151 3.934 4.479 . 0 0 "[ . 1]" 1
56 1 109 ALA MB 2 50 VAL MG2 5.000 . 5.500 5.266 4.761 5.504 0.004 1 0 "[ . 1]" 1
57 1 109 ALA HA 2 50 VAL MG1 5.000 . 5.500 5.384 5.090 5.508 0.008 5 0 "[ . 1]" 1
58 1 110 ILE MG 2 45 ILE QG 5.000 2.800 5.500 5.500 5.466 5.505 0.005 9 0 "[ . 1]" 1
59 1 110 ILE MG 2 45 ILE MD 6.000 . 6.500 5.640 5.425 5.760 . 0 0 "[ . 1]" 1
60 1 110 ILE MD 2 45 ILE MG 5.000 . 5.500 4.220 2.899 5.211 . 0 0 "[ . 1]" 1
61 1 110 ILE MD 2 43 LYS QE 5.000 . 5.500 4.052 1.999 4.886 . 0 0 "[ . 1]" 1
62 1 110 ILE MD 2 50 VAL MG1 5.000 . 5.500 3.918 2.520 5.181 . 0 0 "[ . 1]" 1
63 1 110 ILE MD 2 50 VAL MG2 5.000 . 5.500 3.912 2.806 5.141 . 0 0 "[ . 1]" 1
64 1 110 ILE MG 2 50 VAL MG1 5.000 . 5.500 3.187 2.819 3.538 . 0 0 "[ . 1]" 1
65 1 110 ILE MG 2 50 VAL MG2 5.000 . 5.500 3.901 3.693 4.169 . 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 9
_Distance_constraint_stats_list.Viol_count 53
_Distance_constraint_stats_list.Viol_total 1.490
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0028
_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 60 ASP 0.020 0.006 9 0 "[ . 1]"
1 67 ASP 0.008 0.007 6 0 "[ . 1]"
1 71 GLU 0.002 0.002 9 0 "[ . 1]"
1 98 GLU 0.017 0.005 9 0 "[ . 1]"
1 101 ASP 0.040 0.009 4 0 "[ . 1]"
1 102 ASP 0.010 0.002 5 0 "[ . 1]"
1 105 GLU 0.026 0.005 9 0 "[ . 1]"
1 111 GLU 0.025 0.006 2 0 "[ . 1]"
2 7 LYS 0.032 0.005 9 0 "[ . 1]"
2 10 LYS 0.020 0.006 9 0 "[ . 1]"
2 11 LYS 0.061 0.009 4 0 "[ . 1]"
2 43 LYS 0.008 0.007 6 0 "[ . 1]"
2 49 LYS 0.025 0.006 2 0 "[ . 1]"
2 75 LYS 0.002 0.002 9 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 60 ASP OD1 2 10 LYS NZ 3.000 . 3.000 2.998 2.956 3.006 0.006 9 0 "[ . 1]" 2
2 1 67 ASP OD1 2 43 LYS NZ 3.000 . 3.000 2.831 2.613 3.007 0.007 6 0 "[ . 1]" 2
3 1 71 GLU OE1 2 75 LYS NZ 3.000 . 3.000 2.760 2.450 3.002 0.002 9 0 "[ . 1]" 2
4 1 98 GLU OE1 2 11 LYS NZ 3.000 . 3.000 2.999 2.978 3.005 0.005 9 0 "[ . 1]" 2
5 1 101 ASP OD1 2 11 LYS NZ 3.000 . 3.000 2.896 2.436 3.009 0.009 4 0 "[ . 1]" 2
6 1 102 ASP OD1 2 7 LYS NZ 3.000 . 3.000 2.909 2.592 3.002 0.002 5 0 "[ . 1]" 2
7 1 102 ASP OD1 2 11 LYS NZ 3.000 . 3.000 2.635 2.379 3.002 0.002 5 0 "[ . 1]" 2
8 1 105 GLU OE1 2 7 LYS NZ 3.000 . 3.000 3.003 3.001 3.005 0.005 9 0 "[ . 1]" 2
9 1 111 GLU OE1 2 49 LYS NZ 3.000 . 3.000 2.990 2.877 3.006 0.006 2 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1858
_Distance_constraint_stats_list.Viol_count 2239
_Distance_constraint_stats_list.Viol_total 686.401
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0307
_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 3 LYS 0.006 0.006 9 0 "[ . 1]"
1 7 ALA 0.000 0.000 . 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 ILE 0.005 0.002 5 0 "[ . 1]"
1 12 LEU 0.009 0.003 5 0 "[ . 1]"
1 15 ALA 0.003 0.003 3 0 "[ . 1]"
1 16 PHE 0.008 0.003 9 0 "[ . 1]"
1 17 ALA 0.000 0.000 . 0 "[ . 1]"
1 19 SER 0.005 0.002 10 0 "[ . 1]"
1 20 LYS 0.008 0.002 5 0 "[ . 1]"
1 21 ASN 0.046 0.016 7 0 "[ . 1]"
1 22 ASP 0.048 0.016 7 0 "[ . 1]"
1 23 GLU 0.220 0.042 6 0 "[ . 1]"
1 24 VAL 0.262 0.042 6 0 "[ . 1]"
1 25 LEU 0.061 0.008 1 0 "[ . 1]"
1 26 GLY 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 0.046 0.012 6 0 "[ . 1]"
1 29 LEU 0.092 0.009 3 0 "[ . 1]"
1 30 PRO 0.001 0.001 4 0 "[ . 1]"
1 31 ILE 0.009 0.003 5 0 "[ . 1]"
1 32 ALA 0.001 0.001 4 0 "[ . 1]"
1 33 ALA 0.013 0.005 2 0 "[ . 1]"
1 34 SER 0.001 0.001 10 0 "[ . 1]"
1 35 THR 0.001 0.001 10 0 "[ . 1]"
1 36 ASP 0.002 0.002 3 0 "[ . 1]"
1 37 LEU 0.006 0.002 3 0 "[ . 1]"
1 38 PRO 0.000 0.000 . 0 "[ . 1]"
1 39 ILE 0.007 0.003 2 0 "[ . 1]"
1 40 GLU 0.000 0.000 . 0 "[ . 1]"
1 41 THR 0.001 0.001 7 0 "[ . 1]"
1 42 ALA 0.003 0.003 2 0 "[ . 1]"
1 43 ALA 0.001 0.001 1 0 "[ . 1]"
1 45 ALA 0.005 0.001 4 0 "[ . 1]"
1 46 SER 0.000 0.000 . 0 "[ . 1]"
1 47 LEU 0.006 0.005 8 0 "[ . 1]"
1 48 ALA 0.004 0.002 1 0 "[ . 1]"
1 49 LEU 0.077 0.008 10 0 "[ . 1]"
1 50 ALA 0.013 0.005 8 0 "[ . 1]"
1 52 VAL 0.014 0.005 6 0 "[ . 1]"
1 53 PHE 0.004 0.002 3 0 "[ . 1]"
1 54 VAL 0.000 0.000 . 0 "[ . 1]"
1 55 GLY 0.000 0.000 . 0 "[ . 1]"
1 56 THR 0.016 0.005 8 0 "[ . 1]"
1 57 CYS 0.014 0.005 8 0 "[ . 1]"
1 58 ASN 0.001 0.001 2 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 ASP 0.018 0.008 2 0 "[ . 1]"
1 61 ILE 0.016 0.006 2 0 "[ . 1]"
1 62 THR 0.024 0.007 8 0 "[ . 1]"
1 63 THR 0.071 0.011 4 0 "[ . 1]"
1 64 SER 0.130 0.012 6 0 "[ . 1]"
1 65 ILE 0.194 0.012 6 0 "[ . 1]"
1 66 MET 0.055 0.008 1 0 "[ . 1]"
1 67 ASP 0.004 0.003 9 0 "[ . 1]"
1 68 ASN 0.000 0.000 . 0 "[ . 1]"
1 69 PHE 0.046 0.007 1 0 "[ . 1]"
1 70 LEU 0.021 0.004 4 0 "[ . 1]"
1 71 GLU 0.000 0.000 . 0 "[ . 1]"
1 72 ARG 0.012 0.005 4 0 "[ . 1]"
1 73 THR 0.717 0.051 1 0 "[ . 1]"
1 74 ALA 0.247 0.051 1 0 "[ . 1]"
1 75 ILE 0.606 0.048 9 0 "[ . 1]"
1 76 GLU 0.017 0.006 3 0 "[ . 1]"
1 77 LEU 0.008 0.003 1 0 "[ . 1]"
1 78 LYS 0.006 0.003 1 0 "[ . 1]"
1 81 TRP 0.001 0.001 3 0 "[ . 1]"
1 82 VAL 0.003 0.002 3 0 "[ . 1]"
1 83 ARG 0.000 0.000 . 0 "[ . 1]"
1 84 PHE 0.001 0.001 3 0 "[ . 1]"
1 85 LEU 0.007 0.002 3 0 "[ . 1]"
1 86 ALA 0.000 0.000 . 0 "[ . 1]"
1 88 ALA 0.010 0.003 10 0 "[ . 1]"
1 89 LEU 0.046 0.008 1 0 "[ . 1]"
1 91 ILE 0.000 0.000 . 0 "[ . 1]"
1 92 LEU 0.005 0.001 4 0 "[ . 1]"
1 93 TYR 0.003 0.001 4 0 "[ . 1]"
1 94 MET 0.001 0.001 9 0 "[ . 1]"
1 97 GLY 0.004 0.003 8 0 "[ . 1]"
1 98 GLU 0.151 0.144 10 0 "[ . 1]"
1 99 GLN 0.290 0.144 10 0 "[ . 1]"
1 100 VAL 0.011 0.008 9 0 "[ . 1]"
1 101 ASP 0.146 0.140 10 0 "[ . 1]"
1 102 ASP 0.001 0.000 1 0 "[ . 1]"
1 103 VAL 0.027 0.006 9 0 "[ . 1]"
1 104 LEU 0.045 0.008 9 0 "[ . 1]"
1 105 GLU 0.001 0.000 1 0 "[ . 1]"
1 106 THR 0.042 0.006 9 0 "[ . 1]"
1 107 ILE 0.026 0.005 6 0 "[ . 1]"
1 108 SER 0.000 0.000 . 0 "[ . 1]"
1 109 ALA 0.006 0.003 3 0 "[ . 1]"
1 110 ILE 0.059 0.011 9 0 "[ . 1]"
1 113 PRO 0.000 0.000 . 0 "[ . 1]"
1 115 THR 0.004 0.004 6 0 "[ . 1]"
1 116 SER 0.002 0.002 5 0 "[ . 1]"
1 117 ALA 0.000 0.000 . 0 "[ . 1]"
1 118 ILE 0.009 0.004 6 0 "[ . 1]"
1 119 GLU 0.002 0.002 6 0 "[ . 1]"
1 120 VAL 0.000 0.000 . 0 "[ . 1]"
1 122 VAL 0.001 0.001 1 0 "[ . 1]"
1 123 GLY 0.001 0.001 6 0 "[ . 1]"
1 126 ALA 0.001 0.001 6 0 "[ . 1]"
1 127 TYR 0.003 0.003 6 0 "[ . 1]"
2 1 MET 0.022 0.008 9 0 "[ . 1]"
2 2 VAL 1.872 0.090 3 0 "[ . 1]"
2 3 SER 1.052 0.096 3 0 "[ . 1]"
2 4 LEU 2.379 0.119 3 0 "[ . 1]"
2 5 THR 2.608 0.101 9 0 "[ . 1]"
2 6 PHE 0.905 0.054 8 0 "[ . 1]"
2 7 LYS 1.998 0.095 8 0 "[ . 1]"
2 8 ASN 0.646 0.032 9 0 "[ . 1]"
2 9 PHE 0.327 0.055 1 0 "[ . 1]"
2 10 LYS 0.667 0.076 1 0 "[ . 1]"
2 11 LYS 0.992 0.076 1 0 "[ . 1]"
2 12 GLU 0.935 0.072 9 0 "[ . 1]"
2 13 LYS 1.806 0.072 9 0 "[ . 1]"
2 14 VAL 0.693 0.041 9 0 "[ . 1]"
2 15 PRO 0.568 0.078 1 0 "[ . 1]"
2 16 LEU 1.901 0.078 1 0 "[ . 1]"
2 17 ASP 1.671 0.079 8 0 "[ . 1]"
2 18 LEU 1.732 0.079 8 0 "[ . 1]"
2 19 GLU 0.712 0.064 3 0 "[ . 1]"
2 20 PRO 1.641 0.075 5 0 "[ . 1]"
2 21 SER 2.114 0.129 3 0 "[ . 1]"
2 22 ASN 1.341 0.090 6 0 "[ . 1]"
2 23 THR 4.073 0.139 6 0 "[ . 1]"
2 24 ILE 6.698 0.197 6 0 "[ . 1]"
2 25 LEU 2.709 0.124 2 0 "[ . 1]"
2 26 GLU 1.845 0.124 2 0 "[ . 1]"
2 27 THR 2.734 0.133 9 0 "[ . 1]"
2 28 LYS 1.917 0.138 1 0 "[ . 1]"
2 29 THR 1.659 0.140 1 0 "[ . 1]"
2 30 LYS 0.225 0.036 10 0 "[ . 1]"
2 31 LEU 1.574 0.089 2 0 "[ . 1]"
2 32 ALA 1.256 0.068 8 0 "[ . 1]"
2 33 GLN 0.579 0.044 6 0 "[ . 1]"
2 34 SER 0.388 0.050 8 0 "[ . 1]"
2 35 ILE 1.925 0.128 10 0 "[ . 1]"
2 36 SER 0.960 0.058 6 0 "[ . 1]"
2 37 CYS 0.765 0.037 2 0 "[ . 1]"
2 38 GLU 1.768 0.098 2 0 "[ . 1]"
2 39 GLU 2.293 0.098 2 0 "[ . 1]"
2 40 SER 1.021 0.068 8 0 "[ . 1]"
2 41 GLN 4.751 0.194 8 0 "[ . 1]"
2 42 ILE 4.677 0.127 9 0 "[ . 1]"
2 43 LYS 0.457 0.095 1 0 "[ . 1]"
2 44 LEU 0.769 0.067 8 0 "[ . 1]"
2 45 ILE 5.252 0.152 3 0 "[ . 1]"
2 46 TYR 1.217 0.074 2 0 "[ . 1]"
2 47 SER 0.659 0.070 2 0 "[ . 1]"
2 48 GLY 0.000 0.000 . 0 "[ . 1]"
2 49 LYS 1.388 0.087 8 0 "[ . 1]"
2 50 VAL 0.702 0.067 9 0 "[ . 1]"
2 51 LEU 1.024 0.058 2 0 "[ . 1]"
2 52 GLN 0.685 0.039 1 0 "[ . 1]"
2 53 ASP 0.488 0.081 1 0 "[ . 1]"
2 54 SER 0.574 0.081 1 0 "[ . 1]"
2 55 LYS 1.641 0.060 1 0 "[ . 1]"
2 56 THR 4.373 0.139 6 0 "[ . 1]"
2 57 VAL 2.653 0.113 3 0 "[ . 1]"
2 58 SER 1.528 0.097 7 0 "[ . 1]"
2 59 GLU 0.769 0.043 9 0 "[ . 1]"
2 60 CYS 1.935 0.097 7 0 "[ . 1]"
2 61 GLY 0.000 0.000 . 0 "[ . 1]"
2 62 LEU 4.489 0.113 3 0 "[ . 1]"
2 63 LYS 3.444 0.100 6 0 "[ . 1]"
2 64 ASP 0.961 0.119 3 0 "[ . 1]"
2 65 GLY 0.601 0.057 6 0 "[ . 1]"
2 66 ASP 0.374 0.045 9 0 "[ . 1]"
2 67 GLN 0.500 0.034 4 0 "[ . 1]"
2 68 VAL 0.952 0.054 8 0 "[ . 1]"
2 69 VAL 0.348 0.036 10 0 "[ . 1]"
2 70 PHE 2.532 0.078 8 0 "[ . 1]"
2 71 MET 0.664 0.113 6 0 "[ . 1]"
2 72 VAL 0.905 0.133 4 0 "[ . 1]"
2 73 SER 0.708 0.039 10 0 "[ . 1]"
2 74 GLN 0.031 0.007 8 0 "[ . 1]"
2 75 LYS 0.364 0.049 8 0 "[ . 1]"
2 76 LYS 0.000 0.000 . 0 "[ . 1]"
2 77 SER 0.000 0.000 . 0 "[ . 1]"
2 78 THR 0.053 0.014 7 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 46 TYR H 2 48 GLY H 5.000 . 5.500 3.464 3.344 3.540 . 0 0 "[ . 1]" 3
2 2 48 GLY H 2 49 LYS H 4.000 . 4.500 2.440 2.376 2.497 . 0 0 "[ . 1]" 3
3 2 48 GLY H 2 48 GLY QA 2.500 . 3.000 2.224 2.217 2.235 . 0 0 "[ . 1]" 3
4 2 48 GLY QA 2 49 LYS H 2.500 . 3.000 2.800 2.788 2.821 . 0 0 "[ . 1]" 3
5 2 19 GLU H 2 21 SER H 4.000 . 4.500 4.504 4.477 4.527 0.027 3 0 "[ . 1]" 3
6 2 21 SER H 2 22 ASN H 2.500 . 3.000 2.539 2.327 2.830 . 0 0 "[ . 1]" 3
7 2 21 SER H 2 21 SER QB 2.500 . 3.000 2.695 2.644 2.757 . 0 0 "[ . 1]" 3
8 2 21 SER QB 2 22 ASN H 4.000 . 4.500 3.070 1.896 3.435 . 0 0 "[ . 1]" 3
9 2 58 SER H 2 61 GLY H 5.000 . 5.500 4.799 4.563 4.926 . 0 0 "[ . 1]" 3
10 2 59 GLU H 2 61 GLY H 4.000 . 4.500 3.889 3.855 3.925 . 0 0 "[ . 1]" 3
11 2 60 CYS H 2 61 GLY H 2.500 . 3.000 2.574 2.374 2.691 . 0 0 "[ . 1]" 3
12 2 61 GLY H 2 62 LEU H 2.500 . 3.000 2.301 2.237 2.362 . 0 0 "[ . 1]" 3
13 2 61 GLY H 2 61 GLY QA 2.500 . 3.000 2.270 2.247 2.300 . 0 0 "[ . 1]" 3
14 2 61 GLY QA 2 62 LEU H 3.000 . 3.500 2.922 2.906 2.931 . 0 0 "[ . 1]" 3
15 2 52 GLN H 2 54 SER H 5.000 . 5.500 4.966 4.609 5.107 . 0 0 "[ . 1]" 3
16 2 53 ASP H 2 54 SER H 2.500 . 3.000 2.245 1.771 2.651 0.029 5 0 "[ . 1]" 3
17 2 54 SER H 2 55 LYS H 2.500 . 3.000 2.591 2.366 2.684 . 0 0 "[ . 1]" 3
18 2 54 SER H 2 54 SER HA 3.000 . 3.500 2.938 2.919 2.957 . 0 0 "[ . 1]" 3
19 2 54 SER H 2 54 SER QB 2.500 . 3.000 2.524 2.281 2.817 . 0 0 "[ . 1]" 3
20 2 22 ASN H 2 23 THR H 4.000 . 4.500 4.558 4.549 4.568 0.068 4 0 "[ . 1]" 3
21 2 22 ASN QD 2 23 THR H 3.000 . 3.500 3.436 3.331 3.506 0.006 7 0 "[ . 1]" 3
22 2 23 THR HA 2 24 ILE H 4.000 . 4.500 2.441 2.326 2.552 . 0 0 "[ . 1]" 3
23 2 56 THR H 2 59 GLU H 4.000 . 4.500 3.468 3.116 3.818 . 0 0 "[ . 1]" 3
24 2 56 THR H 2 60 CYS H 5.000 . 5.500 4.249 3.873 4.631 . 0 0 "[ . 1]" 3
25 2 56 THR H 2 57 VAL H 4.000 . 4.500 4.361 4.242 4.473 . 0 0 "[ . 1]" 3
26 2 55 LYS H 2 56 THR H 4.000 . 4.500 4.421 4.380 4.474 . 0 0 "[ . 1]" 3
27 2 56 THR HA 2 57 VAL H 3.000 . 3.500 2.770 2.563 2.949 . 0 0 "[ . 1]" 3
28 2 64 ASP H 2 65 GLY H 4.000 . 4.500 4.402 4.360 4.485 . 0 0 "[ . 1]" 3
29 2 65 GLY H 2 66 ASP H 2.500 . 3.000 2.759 2.510 2.945 . 0 0 "[ . 1]" 3
30 2 65 GLY H 2 65 GLY QA 2.500 . 3.000 2.218 2.202 2.240 . 0 0 "[ . 1]" 3
31 2 65 GLY QA 2 66 ASP H 2.500 . 3.000 2.587 2.474 2.698 . 0 0 "[ . 1]" 3
32 2 58 SER H 2 60 CYS H 4.000 . 4.500 3.921 3.836 3.993 . 0 0 "[ . 1]" 3
33 2 58 SER HA 2 61 GLY H 4.000 . 4.500 3.607 3.486 3.793 . 0 0 "[ . 1]" 3
34 2 58 SER H 2 58 SER HA 2.500 . 3.000 2.820 2.805 2.849 . 0 0 "[ . 1]" 3
35 2 58 SER HA 2 59 GLU H 4.000 . 4.500 3.523 3.507 3.536 . 0 0 "[ . 1]" 3
36 2 58 SER H 2 58 SER QB 2.500 . 3.000 2.211 2.192 2.243 . 0 0 "[ . 1]" 3
37 2 58 SER QB 2 59 GLU H 2.500 . 3.000 2.563 2.511 2.684 . 0 0 "[ . 1]" 3
38 2 58 SER QB 2 60 CYS H 4.000 . 4.500 4.573 4.541 4.597 0.097 7 0 "[ . 1]" 3
39 2 2 VAL H 2 3 SER H 4.000 . 4.500 4.490 4.468 4.544 0.044 3 0 "[ . 1]" 3
40 2 2 VAL H 2 18 LEU H 3.000 . 3.500 3.406 3.113 3.503 0.003 8 0 "[ . 1]" 3
41 2 2 VAL HA 2 65 GLY H 3.000 . 3.500 3.549 3.537 3.557 0.057 6 0 "[ . 1]" 3
42 2 2 VAL HA 2 3 SER H 4.000 . 4.500 2.184 2.145 2.468 . 0 0 "[ . 1]" 3
43 2 1 MET HA 2 2 VAL H 5.000 . 5.500 2.537 2.162 2.943 . 0 0 "[ . 1]" 3
44 2 1 MET QB 2 2 VAL H 5.000 . 5.500 3.696 2.585 4.019 . 0 0 "[ . 1]" 3
45 2 1 MET QG 2 2 VAL H 5.000 . 5.500 4.342 4.040 4.908 . 0 0 "[ . 1]" 3
46 2 2 VAL H 2 20 PRO QD 5.000 . 5.500 4.306 4.090 4.403 . 0 0 "[ . 1]" 3
47 2 2 VAL H 2 17 ASP HA 5.000 . 5.500 4.794 4.556 4.907 . 0 0 "[ . 1]" 3
48 2 38 GLU H 2 39 GLU H 4.000 . 4.500 4.584 4.512 4.598 0.098 2 0 "[ . 1]" 3
49 2 39 GLU H 2 41 GLN H 5.000 . 5.500 4.366 4.153 4.446 . 0 0 "[ . 1]" 3
50 2 39 GLU H 2 40 SER H 3.000 . 3.500 2.423 2.203 2.498 . 0 0 "[ . 1]" 3
51 2 39 GLU H 2 39 GLU HA 2.500 . 3.000 2.917 2.902 2.945 . 0 0 "[ . 1]" 3
52 2 39 GLU HA 2 42 ILE H 4.000 . 4.500 2.907 2.823 3.039 . 0 0 "[ . 1]" 3
53 2 39 GLU HA 2 41 GLN H 4.000 . 4.500 3.365 3.306 3.464 . 0 0 "[ . 1]" 3
54 2 39 GLU HA 2 40 SER H 4.000 . 4.500 3.231 3.215 3.268 . 0 0 "[ . 1]" 3
55 2 39 GLU H 2 39 GLU QB 2.500 . 3.000 2.576 2.503 2.802 . 0 0 "[ . 1]" 3
56 2 39 GLU QB 2 40 SER H 4.000 . 4.500 3.877 3.837 3.891 . 0 0 "[ . 1]" 3
57 2 39 GLU H 2 39 GLU QG 3.000 . 3.500 2.067 1.779 2.192 0.021 6 0 "[ . 1]" 3
58 2 39 GLU QG 2 40 SER H 2.500 . 3.000 3.014 3.000 3.038 0.038 6 0 "[ . 1]" 3
59 2 7 LYS H 2 14 VAL H 5.000 . 5.500 4.485 4.366 4.636 . 0 0 "[ . 1]" 3
60 2 6 PHE H 2 14 VAL H 4.000 . 4.500 2.732 2.433 2.921 . 0 0 "[ . 1]" 3
61 2 13 LYS H 2 14 VAL H 4.000 . 4.500 4.517 4.494 4.541 0.041 9 0 "[ . 1]" 3
62 2 8 ASN H 2 14 VAL H 5.000 . 5.500 5.398 5.278 5.478 . 0 0 "[ . 1]" 3
63 2 7 LYS HA 2 14 VAL H 4.000 . 4.500 3.416 3.268 3.603 . 0 0 "[ . 1]" 3
64 2 7 LYS H 2 70 PHE H 3.000 . 3.500 3.559 3.546 3.578 0.078 8 0 "[ . 1]" 3
65 2 7 LYS H 2 68 VAL H 4.000 . 4.500 4.008 3.853 4.072 . 0 0 "[ . 1]" 3
66 2 6 PHE H 2 7 LYS H 4.000 . 4.500 4.350 4.292 4.377 . 0 0 "[ . 1]" 3
67 2 7 LYS H 2 8 ASN H 4.000 . 4.500 4.527 4.518 4.532 0.032 9 0 "[ . 1]" 3
68 2 7 LYS HA 2 8 ASN H 2.500 . 3.000 2.256 2.211 2.288 . 0 0 "[ . 1]" 3
69 2 7 LYS H 2 7 LYS QB 3.000 . 3.500 2.727 2.570 2.803 . 0 0 "[ . 1]" 3
70 2 7 LYS QB 2 8 ASN H 2.500 . 3.000 2.768 2.665 3.002 0.002 1 0 "[ . 1]" 3
71 2 7 LYS H 2 7 LYS QG 2.500 . 3.000 2.048 1.830 2.439 . 0 0 "[ . 1]" 3
72 2 7 LYS QG 2 8 ASN H 4.000 . 4.500 4.113 3.894 4.241 . 0 0 "[ . 1]" 3
73 2 7 LYS H 2 7 LYS QD 4.000 . 4.500 3.687 3.329 4.212 . 0 0 "[ . 1]" 3
74 2 7 LYS QD 2 8 ASN H 2.500 . 3.000 2.933 2.734 3.009 0.009 9 0 "[ . 1]" 3
75 2 8 ASN H 2 11 LYS HA 5.000 . 5.500 4.263 3.870 4.673 . 0 0 "[ . 1]" 3
76 2 8 ASN H 2 13 LYS HA 4.000 . 4.500 4.469 4.069 4.527 0.027 10 0 "[ . 1]" 3
77 2 45 ILE H 2 71 MET H 4.000 . 4.500 4.074 3.959 4.227 . 0 0 "[ . 1]" 3
78 2 44 LEU H 2 45 ILE H 4.000 . 4.500 4.368 4.267 4.438 . 0 0 "[ . 1]" 3
79 2 45 ILE H 2 46 TYR H 4.000 . 4.500 4.503 4.483 4.520 0.020 1 0 "[ . 1]" 3
80 2 45 ILE H 2 69 VAL H 4.000 . 4.500 4.493 4.463 4.514 0.014 1 0 "[ . 1]" 3
81 2 45 ILE H 2 68 VAL QG 5.000 . 5.500 3.588 3.489 3.917 . 0 0 "[ . 1]" 3
82 2 45 ILE H 2 69 VAL HA 5.000 . 5.500 4.939 4.904 4.983 . 0 0 "[ . 1]" 3
83 2 45 ILE H 2 70 PHE HA 3.000 . 3.500 2.001 1.876 2.150 . 0 0 "[ . 1]" 3
84 2 45 ILE H 2 70 PHE QB 5.000 . 5.500 2.875 2.780 2.950 . 0 0 "[ . 1]" 3
85 2 73 SER H 2 74 GLN H 5.000 . 5.500 4.394 4.259 4.588 . 0 0 "[ . 1]" 3
86 2 72 VAL H 2 73 SER H 4.000 . 4.500 4.500 4.429 4.534 0.034 4 0 "[ . 1]" 3
87 2 42 ILE H 2 73 SER H 5.000 . 5.500 4.027 3.961 4.281 . 0 0 "[ . 1]" 3
88 2 41 GLN H 2 73 SER H 5.000 . 5.500 4.860 4.765 5.195 . 0 0 "[ . 1]" 3
89 2 41 GLN QE 2 73 SER H 4.000 . 4.500 2.841 2.530 3.437 . 0 0 "[ . 1]" 3
90 2 73 SER H 2 73 SER QB 2.500 . 3.000 2.405 2.251 2.791 . 0 0 "[ . 1]" 3
91 2 73 SER QB 2 74 GLN H 3.000 . 3.500 2.641 1.998 3.507 0.007 8 0 "[ . 1]" 3
92 2 3 SER H 2 4 LEU H 4.000 . 4.500 4.166 3.762 4.520 0.020 7 0 "[ . 1]" 3
93 2 3 SER H 2 3 SER QB 2.500 . 3.000 2.822 2.604 3.002 0.002 1 0 "[ . 1]" 3
94 2 3 SER QB 2 4 LEU H 3.000 . 3.500 3.419 2.656 3.596 0.096 3 0 "[ . 1]" 3
95 2 63 LYS H 2 64 ASP H 4.000 . 4.500 4.248 4.224 4.280 . 0 0 "[ . 1]" 3
96 2 63 LYS H 2 66 ASP H 4.000 . 4.500 4.511 4.498 4.524 0.024 3 0 "[ . 1]" 3
97 2 62 LEU H 2 63 LYS H 4.000 . 4.500 4.578 4.557 4.600 0.100 6 0 "[ . 1]" 3
98 2 63 LYS H 2 63 LYS QB 2.500 . 3.000 3.072 3.049 3.090 0.090 1 0 "[ . 1]" 3
99 2 63 LYS QB 2 64 ASP H 2.500 . 3.000 1.791 1.777 1.813 0.023 7 0 "[ . 1]" 3
100 2 63 LYS H 2 63 LYS QG 2.500 . 3.000 2.004 1.970 2.038 . 0 0 "[ . 1]" 3
101 2 63 LYS QG 2 64 ASP H 3.000 . 3.500 3.416 3.373 3.480 . 0 0 "[ . 1]" 3
102 2 63 LYS H 2 63 LYS QD 2.500 . 3.000 3.039 3.028 3.053 0.053 3 0 "[ . 1]" 3
103 2 63 LYS QD 2 64 ASP H 2.500 . 3.000 1.831 1.789 1.918 0.011 3 0 "[ . 1]" 3
104 2 63 LYS H 2 63 LYS QE 5.000 . 5.500 4.462 4.197 4.811 . 0 0 "[ . 1]" 3
105 2 32 ALA H 2 37 CYS H 5.000 . 5.500 5.491 5.430 5.511 0.011 9 0 "[ . 1]" 3
106 2 32 ALA H 2 34 SER H 4.000 . 4.500 3.613 3.558 3.641 . 0 0 "[ . 1]" 3
107 2 32 ALA H 2 33 GLN H 2.500 . 3.000 2.222 2.192 2.267 . 0 0 "[ . 1]" 3
108 2 31 LEU H 2 32 ALA H 2.500 . 3.000 2.824 2.784 2.860 . 0 0 "[ . 1]" 3
109 2 30 LYS H 2 32 ALA H 4.000 . 4.500 3.775 3.686 3.917 . 0 0 "[ . 1]" 3
110 2 32 ALA H 2 35 ILE H 5.000 . 5.500 4.868 4.792 4.922 . 0 0 "[ . 1]" 3
111 2 32 ALA H 2 32 ALA HA 2.500 . 3.000 2.926 2.920 2.930 . 0 0 "[ . 1]" 3
112 2 32 ALA HA 2 37 CYS H 2.500 . 3.000 2.850 2.796 2.915 . 0 0 "[ . 1]" 3
113 2 32 ALA HA 2 36 SER H 4.000 . 4.500 3.783 3.755 3.840 . 0 0 "[ . 1]" 3
114 2 32 ALA HA 2 33 GLN H 3.000 . 3.500 3.501 3.486 3.511 0.011 3 0 "[ . 1]" 3
115 2 32 ALA HA 2 35 ILE H 4.000 . 4.500 3.559 3.493 3.599 . 0 0 "[ . 1]" 3
116 2 32 ALA MB 2 39 GLU H 3.000 . 3.500 2.879 2.786 3.126 . 0 0 "[ . 1]" 3
117 2 32 ALA H 2 32 ALA MB 2.500 . 3.000 2.160 2.128 2.171 . 0 0 "[ . 1]" 3
118 2 32 ALA MB 2 38 GLU H 4.000 . 4.500 4.130 3.387 4.299 . 0 0 "[ . 1]" 3
119 2 32 ALA MB 2 37 CYS H 3.000 . 3.500 3.525 3.497 3.537 0.037 10 0 "[ . 1]" 3
120 2 32 ALA MB 2 36 SER H 4.000 . 4.500 4.522 4.505 4.558 0.058 6 0 "[ . 1]" 3
121 2 32 ALA MB 2 34 SER H 4.000 . 4.500 4.177 4.144 4.201 . 0 0 "[ . 1]" 3
122 2 32 ALA MB 2 33 GLN H 2.500 . 3.000 2.796 2.732 2.873 . 0 0 "[ . 1]" 3
123 2 32 ALA MB 2 41 GLN H 5.000 . 5.500 5.326 5.217 5.375 . 0 0 "[ . 1]" 3
124 2 32 ALA MB 2 35 ILE H 5.000 . 5.500 4.798 4.741 4.825 . 0 0 "[ . 1]" 3
125 2 32 ALA MB 2 40 SER H 4.000 . 4.500 4.544 4.532 4.568 0.068 8 0 "[ . 1]" 3
126 2 71 MET H 2 72 VAL H 4.000 . 4.500 4.316 4.131 4.388 . 0 0 "[ . 1]" 3
127 2 43 LYS H 2 71 MET H 3.000 . 3.500 2.874 2.490 3.202 . 0 0 "[ . 1]" 3
128 2 71 MET HA 2 72 VAL H 6.000 . 6.500 2.310 2.159 2.433 . 0 0 "[ . 1]" 3
129 2 71 MET H 2 71 MET QB 2.500 . 3.000 2.881 2.770 3.039 0.039 10 0 "[ . 1]" 3
130 2 71 MET QB 2 72 VAL H 2.500 . 3.000 2.987 2.800 3.105 0.105 6 0 "[ . 1]" 3
131 2 71 MET H 2 71 MET QG 4.000 . 4.500 3.426 2.652 4.249 . 0 0 "[ . 1]" 3
132 2 71 MET QG 2 72 VAL H 4.000 . 4.500 2.925 1.988 4.451 . 0 0 "[ . 1]" 3
133 2 18 LEU H 2 19 GLU H 4.000 . 4.500 4.332 4.313 4.357 . 0 0 "[ . 1]" 3
134 2 19 GLU H 2 22 ASN H 4.000 . 4.500 3.483 3.250 3.787 . 0 0 "[ . 1]" 3
135 2 19 GLU QB 2 21 SER H 4.000 . 4.500 2.595 2.569 2.609 . 0 0 "[ . 1]" 3
136 2 19 GLU H 2 19 GLU QB 2.500 . 3.000 2.740 2.671 2.799 . 0 0 "[ . 1]" 3
137 2 19 GLU H 2 19 GLU QG 2.500 . 3.000 3.010 3.002 3.023 0.023 6 0 "[ . 1]" 3
138 2 28 LYS H 2 29 THR H 3.000 . 3.500 2.561 2.518 2.595 . 0 0 "[ . 1]" 3
139 2 26 GLU H 2 28 LYS H 4.000 . 4.500 3.858 3.780 4.010 . 0 0 "[ . 1]" 3
140 2 28 LYS H 2 30 LYS H 5.000 . 5.500 4.198 4.055 4.382 . 0 0 "[ . 1]" 3
141 2 28 LYS HA 2 32 ALA H 4.000 . 4.500 4.355 4.210 4.498 . 0 0 "[ . 1]" 3
142 2 28 LYS HA 2 29 THR H 4.000 . 4.500 3.553 3.544 3.563 . 0 0 "[ . 1]" 3
143 2 28 LYS H 2 28 LYS QB 2.500 . 3.000 2.160 2.105 2.565 . 0 0 "[ . 1]" 3
144 2 28 LYS QB 2 29 THR H 2.500 . 3.000 2.668 2.615 2.717 . 0 0 "[ . 1]" 3
145 2 28 LYS H 2 28 LYS QG 2.500 . 3.000 2.922 2.192 3.018 0.018 9 0 "[ . 1]" 3
146 2 28 LYS QG 2 29 THR H 4.000 . 4.500 4.305 3.843 4.378 . 0 0 "[ . 1]" 3
147 2 28 LYS H 2 28 LYS QE 5.000 . 5.500 4.791 4.122 5.103 . 0 0 "[ . 1]" 3
148 2 74 GLN H 2 74 GLN QB 2.500 . 3.000 2.474 2.202 2.741 . 0 0 "[ . 1]" 3
149 2 74 GLN QB 2 75 LYS H 2.500 . 3.000 2.877 2.558 3.005 0.005 3 0 "[ . 1]" 3
150 2 74 GLN H 2 74 GLN QG 4.000 . 4.500 3.223 2.620 4.087 . 0 0 "[ . 1]" 3
151 2 74 GLN QG 2 75 LYS H 4.000 . 4.500 4.178 3.873 4.507 0.007 8 0 "[ . 1]" 3
152 2 43 LYS H 2 44 LEU H 4.000 . 4.500 3.833 3.553 4.075 . 0 0 "[ . 1]" 3
153 2 44 LEU HA 2 45 ILE H 2.500 . 3.000 2.156 2.130 2.207 . 0 0 "[ . 1]" 3
154 2 44 LEU HA 2 71 MET H 4.000 . 4.500 3.680 3.346 4.050 . 0 0 "[ . 1]" 3
155 2 44 LEU QB 2 45 ILE H 4.000 . 4.500 3.840 3.802 3.896 . 0 0 "[ . 1]" 3
156 2 44 LEU H 2 44 LEU QB 2.500 . 3.000 2.122 2.067 2.161 . 0 0 "[ . 1]" 3
157 2 28 LYS QD 2 44 LEU H 5.000 . 5.500 3.761 2.521 4.347 . 0 0 "[ . 1]" 3
158 2 28 LYS QE 2 44 LEU H 5.000 . 5.500 2.902 2.019 4.772 . 0 0 "[ . 1]" 3
159 2 69 VAL H 2 70 PHE H 4.000 . 4.500 4.499 4.488 4.509 0.009 3 0 "[ . 1]" 3
160 2 8 ASN H 2 70 PHE H 5.000 . 5.500 5.181 5.065 5.291 . 0 0 "[ . 1]" 3
161 2 70 PHE HA 2 71 MET H 2.500 . 3.000 2.463 2.433 2.498 . 0 0 "[ . 1]" 3
162 2 70 PHE QB 2 71 MET H 2.500 . 3.000 2.448 2.351 2.529 . 0 0 "[ . 1]" 3
163 2 70 PHE H 2 70 PHE QB 3.000 . 3.500 2.973 2.958 2.997 . 0 0 "[ . 1]" 3
164 2 14 VAL H 2 70 PHE QD 5.000 . 5.500 5.332 5.177 5.510 0.010 1 0 "[ . 1]" 3
165 2 7 LYS H 2 70 PHE QD 3.000 . 3.500 2.576 2.524 2.646 . 0 0 "[ . 1]" 3
166 2 70 PHE QD 2 71 MET H 4.000 . 4.500 2.480 2.404 2.577 . 0 0 "[ . 1]" 3
167 2 70 PHE H 2 70 PHE QD 2.500 . 3.000 2.579 2.451 2.673 . 0 0 "[ . 1]" 3
168 2 70 PHE QD 2 72 VAL H 4.000 . 4.500 4.361 3.786 4.514 0.014 5 0 "[ . 1]" 3
169 2 8 ASN H 2 70 PHE QD 4.000 . 4.500 4.504 4.448 4.524 0.024 10 0 "[ . 1]" 3
170 2 14 VAL H 2 70 PHE QE 4.000 . 4.500 4.037 3.899 4.137 . 0 0 "[ . 1]" 3
171 2 7 LYS H 2 70 PHE QE 3.000 . 3.500 3.517 3.509 3.521 0.021 3 0 "[ . 1]" 3
172 2 70 PHE QE 2 71 MET H 4.000 . 4.500 4.508 4.484 4.521 0.021 8 0 "[ . 1]" 3
173 2 70 PHE H 2 70 PHE QE 4.000 . 4.500 4.413 4.337 4.496 . 0 0 "[ . 1]" 3
174 2 70 PHE QE 2 72 VAL H 6.000 . 6.500 4.145 3.475 4.459 . 0 0 "[ . 1]" 3
175 2 8 ASN H 2 70 PHE QE 3.000 . 3.500 3.084 2.996 3.154 . 0 0 "[ . 1]" 3
176 2 8 ASN HA 2 70 PHE H 4.000 . 4.500 3.551 3.459 3.663 . 0 0 "[ . 1]" 3
177 2 16 LEU H 2 17 ASP H 4.000 . 4.500 4.330 4.262 4.381 . 0 0 "[ . 1]" 3
178 2 16 LEU HA 2 17 ASP H 6.000 . 6.500 2.393 2.185 2.623 . 0 0 "[ . 1]" 3
179 2 16 LEU H 2 16 LEU QB 2.500 . 3.000 2.723 2.704 2.745 . 0 0 "[ . 1]" 3
180 2 6 PHE H 2 16 LEU QB 4.000 . 4.500 4.293 4.176 4.521 0.021 5 0 "[ . 1]" 3
181 2 16 LEU QB 2 17 ASP H 2.500 . 3.000 2.453 1.923 3.003 0.003 10 0 "[ . 1]" 3
182 2 17 ASP H 2 18 LEU H 4.000 . 4.500 4.358 4.214 4.485 . 0 0 "[ . 1]" 3
183 2 18 LEU HA 2 19 GLU H 2.500 . 3.000 2.677 2.638 2.707 . 0 0 "[ . 1]" 3
184 2 18 LEU QB 2 19 GLU H 2.500 . 3.000 1.806 1.776 1.861 0.024 4 0 "[ . 1]" 3
185 2 18 LEU H 2 18 LEU QB 2.500 . 3.000 2.665 2.653 2.687 . 0 0 "[ . 1]" 3
186 2 24 ILE H 2 25 LEU H 3.000 . 3.500 2.707 2.636 2.754 . 0 0 "[ . 1]" 3
187 2 24 ILE H 2 27 THR H 5.000 . 5.500 4.778 4.686 4.839 . 0 0 "[ . 1]" 3
188 2 24 ILE H 2 26 GLU H 4.000 . 4.500 4.491 4.440 4.531 0.031 3 0 "[ . 1]" 3
189 2 24 ILE HA 2 28 LYS H 4.000 . 4.500 3.521 3.439 3.626 . 0 0 "[ . 1]" 3
190 2 24 ILE HA 2 25 LEU H 4.000 . 4.500 3.485 3.465 3.520 . 0 0 "[ . 1]" 3
191 2 24 ILE HA 2 27 THR H 2.500 . 3.000 3.116 3.095 3.133 0.133 9 0 "[ . 1]" 3
192 2 46 TYR H 2 51 LEU H 4.000 . 4.500 3.493 3.386 3.722 . 0 0 "[ . 1]" 3
193 2 46 TYR H 2 50 VAL H 5.000 . 5.500 3.952 3.902 4.015 . 0 0 "[ . 1]" 3
194 2 46 TYR H 2 49 LYS H 3.000 . 3.500 2.008 1.945 2.115 . 0 0 "[ . 1]" 3
195 2 46 TYR H 2 46 TYR QB 2.500 . 3.000 2.684 2.657 2.721 . 0 0 "[ . 1]" 3
196 2 46 TYR H 2 46 TYR QD 4.000 . 4.500 4.352 4.323 4.380 . 0 0 "[ . 1]" 3
197 2 46 TYR QD 2 69 VAL H 4.000 . 4.500 3.330 3.162 3.461 . 0 0 "[ . 1]" 3
198 2 46 TYR QD 2 67 GLN H 5.000 . 5.500 5.485 5.296 5.509 0.009 9 0 "[ . 1]" 3
199 2 46 TYR QD 2 49 LYS H 5.000 . 5.500 5.133 5.021 5.234 . 0 0 "[ . 1]" 3
200 2 46 TYR QD 2 62 LEU H 5.000 . 5.500 5.345 5.079 5.521 0.021 8 0 "[ . 1]" 3
201 2 46 TYR QE 2 63 LYS H 5.000 . 5.500 5.345 5.143 5.515 0.015 8 0 "[ . 1]" 3
202 2 46 TYR QE 2 67 GLN H 4.000 . 4.500 4.118 3.756 4.481 . 0 0 "[ . 1]" 3
203 2 46 TYR QE 2 62 LEU H 4.000 . 4.500 4.511 4.501 4.517 0.017 1 0 "[ . 1]" 3
204 2 46 TYR H 2 49 LYS HA 4.000 . 4.500 4.146 4.086 4.247 . 0 0 "[ . 1]" 3
205 2 46 TYR H 2 50 VAL HA 4.000 . 4.500 3.609 3.561 3.659 . 0 0 "[ . 1]" 3
206 2 46 TYR H 2 50 VAL QG 5.000 . 5.500 4.716 4.700 4.751 . 0 0 "[ . 1]" 3
207 2 4 LEU H 2 5 THR H 4.000 . 4.500 4.435 4.346 4.520 0.020 5 0 "[ . 1]" 3
208 2 4 LEU H 2 4 LEU HA 2.500 . 3.000 2.941 2.923 2.953 . 0 0 "[ . 1]" 3
209 2 4 LEU HA 2 5 THR H 3.000 . 3.500 2.609 2.460 2.714 . 0 0 "[ . 1]" 3
210 2 4 LEU H 2 4 LEU QB 2.500 . 3.000 2.496 2.419 2.774 . 0 0 "[ . 1]" 3
211 2 4 LEU QB 2 5 THR H 2.500 . 3.000 1.995 1.849 2.263 . 0 0 "[ . 1]" 3
212 2 68 VAL H 2 69 VAL H 4.000 . 4.500 4.460 4.425 4.486 . 0 0 "[ . 1]" 3
213 2 67 GLN H 2 68 VAL H 4.000 . 4.500 4.320 4.299 4.355 . 0 0 "[ . 1]" 3
214 2 5 THR H 2 68 VAL H 4.000 . 4.500 2.991 2.725 3.462 . 0 0 "[ . 1]" 3
215 2 68 VAL HA 2 69 VAL H 2.500 . 3.000 2.247 2.220 2.277 . 0 0 "[ . 1]" 3
216 2 72 VAL HA 2 73 SER H 2.500 . 3.000 2.229 2.199 2.243 . 0 0 "[ . 1]" 3
217 2 23 THR H 2 25 LEU H 4.000 . 4.500 4.528 4.503 4.558 0.058 2 0 "[ . 1]" 3
218 2 25 LEU H 2 27 THR H 4.000 . 4.500 4.142 4.103 4.189 . 0 0 "[ . 1]" 3
219 2 25 LEU H 2 26 GLU H 3.000 . 3.500 2.720 2.659 2.779 . 0 0 "[ . 1]" 3
220 2 25 LEU HA 2 28 LYS H 4.000 . 4.500 3.791 3.588 3.915 . 0 0 "[ . 1]" 3
221 2 25 LEU H 2 25 LEU HA 3.000 . 3.500 2.796 2.777 2.819 . 0 0 "[ . 1]" 3
222 2 25 LEU HA 2 29 THR H 4.000 . 4.500 4.285 4.098 4.411 . 0 0 "[ . 1]" 3
223 2 25 LEU HA 2 26 GLU H 4.000 . 4.500 3.536 3.524 3.546 . 0 0 "[ . 1]" 3
224 2 25 LEU H 2 25 LEU QB 2.500 . 3.000 2.236 2.225 2.255 . 0 0 "[ . 1]" 3
225 2 25 LEU QB 2 26 GLU H 2.500 . 3.000 2.392 2.340 2.431 . 0 0 "[ . 1]" 3
226 2 42 ILE H 2 43 LYS H 4.000 . 4.500 4.523 4.419 4.595 0.095 1 0 "[ . 1]" 3
227 2 43 LYS QB 2 71 MET H 3.000 . 3.500 3.233 2.881 3.513 0.013 8 0 "[ . 1]" 3
228 2 43 LYS H 2 43 LYS QB 2.500 . 3.000 2.661 2.575 2.770 . 0 0 "[ . 1]" 3
229 2 43 LYS QG 2 71 MET H 4.000 . 4.500 4.348 3.971 4.512 0.012 2 0 "[ . 1]" 3
230 2 43 LYS H 2 43 LYS QG 4.000 . 4.500 2.502 2.306 2.937 . 0 0 "[ . 1]" 3
231 2 43 LYS H 2 70 PHE HA 5.000 . 5.500 4.878 4.497 5.209 . 0 0 "[ . 1]" 3
232 2 6 PHE HA 2 7 LYS H 2.500 . 3.000 2.161 2.149 2.168 . 0 0 "[ . 1]" 3
233 2 6 PHE HA 2 68 VAL H 2.500 . 3.000 3.033 3.020 3.052 0.052 1 0 "[ . 1]" 3
234 2 6 PHE H 2 6 PHE HA 2.500 . 3.000 2.939 2.926 2.959 . 0 0 "[ . 1]" 3
235 2 6 PHE QB 2 14 VAL H 4.000 . 4.500 3.500 3.318 3.606 . 0 0 "[ . 1]" 3
236 2 6 PHE QB 2 7 LYS H 3.000 . 3.500 3.433 3.323 3.496 . 0 0 "[ . 1]" 3
237 2 6 PHE H 2 6 PHE QB 2.500 . 3.000 2.391 2.336 2.546 . 0 0 "[ . 1]" 3
238 2 6 PHE QD 2 16 LEU H 4.000 . 4.500 3.962 3.761 4.339 . 0 0 "[ . 1]" 3
239 2 6 PHE QD 2 68 VAL H 4.000 . 4.500 4.456 4.120 4.554 0.054 8 0 "[ . 1]" 3
240 2 6 PHE H 2 6 PHE QD 2.500 . 3.000 2.195 1.929 2.346 . 0 0 "[ . 1]" 3
241 2 5 THR H 2 6 PHE QD 5.000 . 5.500 4.165 3.780 4.483 . 0 0 "[ . 1]" 3
242 2 6 PHE QE 2 16 LEU H 4.000 . 4.500 4.333 4.056 4.505 0.005 4 0 "[ . 1]" 3
243 2 4 LEU H 2 6 PHE QE 4.000 . 4.500 3.998 3.565 4.398 . 0 0 "[ . 1]" 3
244 2 6 PHE QE 2 68 VAL H 5.000 . 5.500 5.061 4.837 5.263 . 0 0 "[ . 1]" 3
245 2 6 PHE H 2 6 PHE QE 4.000 . 4.500 4.465 4.266 4.532 0.032 5 0 "[ . 1]" 3
246 2 5 THR H 2 6 PHE QE 5.000 . 5.500 4.486 4.105 4.739 . 0 0 "[ . 1]" 3
247 2 50 VAL H 2 51 LEU H 4.000 . 4.500 4.307 4.232 4.435 . 0 0 "[ . 1]" 3
248 2 51 LEU H 2 52 GLN H 4.000 . 4.500 4.494 4.474 4.515 0.015 9 0 "[ . 1]" 3
249 2 51 LEU H 2 51 LEU QB 2.500 . 3.000 2.395 2.301 2.438 . 0 0 "[ . 1]" 3
250 2 51 LEU QB 2 52 GLN H 2.500 . 3.000 1.802 1.772 1.856 0.028 6 0 "[ . 1]" 3
251 2 69 VAL HA 2 70 PHE H 4.000 . 4.500 2.192 2.174 2.204 . 0 0 "[ . 1]" 3
252 2 41 GLN QE 2 75 LYS H 4.000 . 4.500 3.490 2.796 4.174 . 0 0 "[ . 1]" 3
253 2 75 LYS H 2 75 LYS HA 2.500 . 3.000 2.683 2.373 2.848 . 0 0 "[ . 1]" 3
254 2 75 LYS H 2 75 LYS QB 2.500 . 3.000 2.677 2.405 3.049 0.049 8 0 "[ . 1]" 3
255 2 75 LYS H 2 75 LYS QG 2.500 . 3.000 2.157 1.789 2.786 0.011 10 0 "[ . 1]" 3
256 2 75 LYS H 2 75 LYS QD 2.500 . 3.000 2.373 1.796 3.007 0.007 4 0 "[ . 1]" 3
257 2 49 LYS H 2 50 VAL H 4.000 . 4.500 3.529 3.464 3.616 . 0 0 "[ . 1]" 3
258 2 52 GLN H 2 53 ASP H 4.000 . 4.500 4.356 4.156 4.446 . 0 0 "[ . 1]" 3
259 2 52 GLN H 2 55 LYS H 4.000 . 4.500 4.426 4.004 4.525 0.025 2 0 "[ . 1]" 3
260 2 52 GLN QB 2 54 SER H 2.500 . 3.000 2.468 2.394 2.533 . 0 0 "[ . 1]" 3
261 2 52 GLN H 2 52 GLN QB 2.500 . 3.000 2.939 2.624 3.038 0.038 8 0 "[ . 1]" 3
262 2 52 GLN QB 2 53 ASP H 2.500 . 3.000 2.532 1.818 3.001 0.001 1 0 "[ . 1]" 3
263 2 52 GLN QB 2 55 LYS H 3.000 . 3.500 3.042 2.760 3.138 . 0 0 "[ . 1]" 3
264 2 52 GLN H 2 52 GLN QG 2.500 . 3.000 2.255 2.105 2.469 . 0 0 "[ . 1]" 3
265 2 52 GLN QG 2 55 LYS H 4.000 . 4.500 4.514 4.500 4.539 0.039 1 0 "[ . 1]" 3
266 2 58 SER H 2 59 GLU H 3.000 . 3.500 2.620 2.574 2.657 . 0 0 "[ . 1]" 3
267 2 59 GLU H 2 60 CYS H 2.500 . 3.000 2.429 2.327 2.528 . 0 0 "[ . 1]" 3
268 2 59 GLU H 2 62 LEU H 5.000 . 5.500 5.518 5.506 5.530 0.030 7 0 "[ . 1]" 3
269 2 57 VAL H 2 59 GLU H 4.000 . 4.500 3.914 3.693 4.236 . 0 0 "[ . 1]" 3
270 2 59 GLU H 2 59 GLU HA 2.500 . 3.000 2.871 2.842 2.895 . 0 0 "[ . 1]" 3
271 2 59 GLU HA 2 60 CYS H 3.000 . 3.500 3.508 3.478 3.523 0.023 9 0 "[ . 1]" 3
272 2 56 THR H 2 59 GLU QB 2.500 . 3.000 2.224 1.793 2.555 0.007 3 0 "[ . 1]" 3
273 2 58 SER H 2 59 GLU QB 4.000 . 4.500 4.528 4.516 4.543 0.043 9 0 "[ . 1]" 3
274 2 59 GLU H 2 59 GLU QB 2.500 . 3.000 2.281 2.266 2.301 . 0 0 "[ . 1]" 3
275 2 59 GLU QB 2 60 CYS H 4.000 . 4.500 2.690 2.572 2.836 . 0 0 "[ . 1]" 3
276 2 56 THR H 2 59 GLU QG 3.000 . 3.500 3.087 2.517 3.509 0.009 9 0 "[ . 1]" 3
277 2 58 SER H 2 59 GLU QG 4.000 . 4.500 4.508 4.503 4.515 0.015 5 0 "[ . 1]" 3
278 2 59 GLU H 2 59 GLU QG 2.500 . 3.000 2.499 2.392 2.603 . 0 0 "[ . 1]" 3
279 2 59 GLU QG 2 60 CYS H 4.000 . 4.500 4.189 4.144 4.260 . 0 0 "[ . 1]" 3
280 2 27 THR H 2 29 THR H 4.000 . 4.500 4.058 3.957 4.102 . 0 0 "[ . 1]" 3
281 2 29 THR H 2 31 LEU H 4.000 . 4.500 4.479 4.350 4.517 0.017 10 0 "[ . 1]" 3
282 2 29 THR H 2 30 LYS H 3.000 . 3.500 2.709 2.624 2.800 . 0 0 "[ . 1]" 3
283 2 29 THR HA 2 32 ALA H 4.000 . 4.500 3.819 3.659 3.997 . 0 0 "[ . 1]" 3
284 2 29 THR H 2 29 THR HA 2.500 . 3.000 2.827 2.818 2.836 . 0 0 "[ . 1]" 3
285 2 29 THR HA 2 33 GLN H 4.000 . 4.500 4.495 4.451 4.506 0.006 10 0 "[ . 1]" 3
286 2 29 THR HA 2 30 LYS H 4.000 . 4.500 3.559 3.538 3.571 . 0 0 "[ . 1]" 3
287 2 66 ASP H 2 67 GLN H 4.000 . 4.500 4.266 4.171 4.332 . 0 0 "[ . 1]" 3
288 2 67 GLN HA 2 68 VAL H 2.500 . 3.000 2.181 2.171 2.192 . 0 0 "[ . 1]" 3
289 2 67 GLN QB 2 68 VAL H 2.500 . 3.000 3.023 3.005 3.034 0.034 4 0 "[ . 1]" 3
290 2 67 GLN H 2 67 GLN QB 2.500 . 3.000 2.890 2.668 3.021 0.021 10 0 "[ . 1]" 3
291 2 67 GLN QG 2 68 VAL H 4.000 . 4.500 3.947 3.718 4.293 . 0 0 "[ . 1]" 3
292 2 67 GLN H 2 67 GLN QG 2.500 . 3.000 2.517 2.185 2.969 . 0 0 "[ . 1]" 3
293 2 67 GLN QE 2 67 GLN QG 2.500 . 3.000 2.364 2.179 2.777 . 0 0 "[ . 1]" 3
294 2 64 ASP QB 2 65 GLY H 3.000 . 3.500 3.385 3.271 3.432 . 0 0 "[ . 1]" 3
295 2 3 SER H 2 64 ASP QB 4.000 . 4.500 4.114 3.674 4.417 . 0 0 "[ . 1]" 3
296 2 64 ASP H 2 64 ASP QB 2.500 . 3.000 2.758 2.607 2.891 . 0 0 "[ . 1]" 3
297 2 37 CYS H 2 38 GLU H 5.000 . 5.500 4.419 4.379 4.496 . 0 0 "[ . 1]" 3
298 2 38 GLU H 2 41 GLN H 5.000 . 5.500 5.409 5.052 5.526 0.026 10 0 "[ . 1]" 3
299 2 38 GLU HA 2 39 GLU H 6.000 . 6.500 2.244 2.197 2.457 . 0 0 "[ . 1]" 3
300 2 38 GLU QB 2 39 GLU H 2.500 . 3.000 2.891 2.394 3.022 0.022 10 0 "[ . 1]" 3
301 2 38 GLU H 2 38 GLU QB 2.500 . 3.000 2.151 2.079 2.682 . 0 0 "[ . 1]" 3
302 2 38 GLU QB 2 41 GLN H 5.000 . 5.500 3.508 3.258 4.459 . 0 0 "[ . 1]" 3
303 2 38 GLU QB 2 40 SER H 2.500 . 3.000 2.134 2.011 2.649 . 0 0 "[ . 1]" 3
304 2 38 GLU QG 2 39 GLU H 2.500 . 3.000 3.032 3.024 3.068 0.068 8 0 "[ . 1]" 3
305 2 38 GLU H 2 38 GLU QG 2.500 . 3.000 2.937 2.117 3.076 0.076 8 0 "[ . 1]" 3
306 2 36 SER H 2 37 CYS H 2.500 . 3.000 2.312 2.188 2.344 . 0 0 "[ . 1]" 3
307 2 34 SER H 2 37 CYS H 4.000 . 4.500 4.422 4.280 4.465 . 0 0 "[ . 1]" 3
308 2 33 GLN H 2 37 CYS H 5.000 . 5.500 5.043 4.872 5.096 . 0 0 "[ . 1]" 3
309 2 35 ILE H 2 37 CYS H 4.000 . 4.500 3.576 3.517 3.618 . 0 0 "[ . 1]" 3
310 2 37 CYS HA 2 38 GLU H 6.000 . 6.500 2.271 2.176 2.663 . 0 0 "[ . 1]" 3
311 2 37 CYS QB 2 38 GLU H 2.500 . 3.000 2.820 1.983 3.037 0.037 4 0 "[ . 1]" 3
312 2 37 CYS H 2 37 CYS QB 2.500 . 3.000 2.620 2.546 2.681 . 0 0 "[ . 1]" 3
313 2 5 THR HA 2 6 PHE H 6.000 . 6.500 2.165 2.151 2.206 . 0 0 "[ . 1]" 3
314 2 60 CYS H 2 62 LEU H 4.000 . 4.500 3.996 3.857 4.104 . 0 0 "[ . 1]" 3
315 2 57 VAL H 2 60 CYS H 5.000 . 5.500 4.451 4.321 4.545 . 0 0 "[ . 1]" 3
316 2 60 CYS HA 2 61 GLY H 4.000 . 4.500 3.478 3.453 3.508 . 0 0 "[ . 1]" 3
317 2 60 CYS H 2 60 CYS HA 3.000 . 3.500 2.831 2.788 2.897 . 0 0 "[ . 1]" 3
318 2 60 CYS HA 2 62 LEU H 4.000 . 4.500 4.529 4.503 4.556 0.056 9 0 "[ . 1]" 3
319 2 60 CYS QB 2 61 GLY H 3.000 . 3.500 2.876 2.758 2.970 . 0 0 "[ . 1]" 3
320 2 59 GLU H 2 60 CYS QB 5.000 . 5.500 4.255 4.147 4.330 . 0 0 "[ . 1]" 3
321 2 60 CYS H 2 60 CYS QB 2.500 . 3.000 2.257 2.215 2.348 . 0 0 "[ . 1]" 3
322 2 60 CYS QB 2 62 LEU H 3.000 . 3.500 2.683 2.600 2.769 . 0 0 "[ . 1]" 3
323 2 34 SER H 2 36 SER H 2.500 . 3.000 3.038 3.031 3.050 0.050 8 0 "[ . 1]" 3
324 2 33 GLN H 2 36 SER H 4.000 . 4.500 4.534 4.529 4.544 0.044 6 0 "[ . 1]" 3
325 2 35 ILE H 2 36 SER H 2.500 . 3.000 2.164 2.135 2.214 . 0 0 "[ . 1]" 3
326 2 36 SER HA 2 37 CYS H 2.500 . 3.000 2.969 2.952 3.011 0.011 6 0 "[ . 1]" 3
327 2 36 SER H 2 36 SER HA 2.500 . 3.000 2.335 2.328 2.358 . 0 0 "[ . 1]" 3
328 2 33 GLN H 2 34 SER H 2.500 . 3.000 2.462 2.445 2.483 . 0 0 "[ . 1]" 3
329 2 31 LEU H 2 34 SER H 5.000 . 5.500 5.059 4.969 5.104 . 0 0 "[ . 1]" 3
330 2 34 SER H 2 35 ILE H 2.500 . 3.000 2.150 2.130 2.169 . 0 0 "[ . 1]" 3
331 2 34 SER H 2 34 SER HA 3.000 . 3.500 2.944 2.941 2.946 . 0 0 "[ . 1]" 3
332 2 34 SER HA 2 35 ILE H 5.000 . 5.500 3.537 3.535 3.539 . 0 0 "[ . 1]" 3
333 2 31 LEU H 2 33 GLN H 4.000 . 4.500 4.216 4.162 4.273 . 0 0 "[ . 1]" 3
334 2 33 GLN H 2 35 ILE H 4.000 . 4.500 4.312 4.280 4.345 . 0 0 "[ . 1]" 3
335 2 33 GLN HA 2 34 SER H 3.000 . 3.500 3.249 3.246 3.252 . 0 0 "[ . 1]" 3
336 2 33 GLN H 2 33 GLN HA 2.500 . 3.000 2.907 2.902 2.911 . 0 0 "[ . 1]" 3
337 2 33 GLN HA 2 35 ILE H 4.000 . 4.500 4.517 4.515 4.519 0.019 5 0 "[ . 1]" 3
338 2 33 GLN QB 2 34 SER H 4.000 . 4.500 3.406 3.395 3.415 . 0 0 "[ . 1]" 3
339 2 33 GLN H 2 33 GLN QB 2.500 . 3.000 2.328 2.285 2.432 . 0 0 "[ . 1]" 3
340 2 33 GLN QG 2 34 SER H 4.000 . 4.500 4.378 4.269 4.437 . 0 0 "[ . 1]" 3
341 2 33 GLN H 2 33 GLN QG 2.500 . 3.000 2.553 2.273 2.667 . 0 0 "[ . 1]" 3
342 2 33 GLN QE 2 33 GLN QG 2.500 . 3.000 2.384 2.187 2.822 . 0 0 "[ . 1]" 3
343 2 23 THR H 2 27 THR H 5.000 . 5.500 4.517 4.385 4.641 . 0 0 "[ . 1]" 3
344 2 27 THR H 2 28 LYS H 2.500 . 3.000 2.567 2.518 2.622 . 0 0 "[ . 1]" 3
345 2 26 GLU H 2 27 THR H 3.000 . 3.500 2.640 2.571 2.719 . 0 0 "[ . 1]" 3
346 2 27 THR HA 2 28 LYS H 3.000 . 3.500 3.488 3.476 3.519 0.019 8 0 "[ . 1]" 3
347 2 27 THR H 2 27 THR HA 3.000 . 3.500 2.826 2.809 2.833 . 0 0 "[ . 1]" 3
348 2 27 THR HA 2 31 LEU H 3.000 . 3.500 3.548 3.533 3.581 0.081 8 0 "[ . 1]" 3
349 2 27 THR HA 2 30 LYS H 4.000 . 4.500 3.526 3.389 3.668 . 0 0 "[ . 1]" 3
350 2 12 GLU H 2 13 LYS H 4.000 . 4.500 4.549 4.502 4.572 0.072 9 0 "[ . 1]" 3
351 2 13 LYS HA 2 14 VAL H 2.500 . 3.000 2.180 2.159 2.268 . 0 0 "[ . 1]" 3
352 2 13 LYS H 2 13 LYS HA 3.000 . 3.500 2.931 2.910 2.944 . 0 0 "[ . 1]" 3
353 2 13 LYS QB 2 14 VAL H 2.500 . 3.000 2.989 2.702 3.036 0.036 10 0 "[ . 1]" 3
354 2 13 LYS H 2 13 LYS QB 2.500 . 3.000 2.802 2.450 2.983 . 0 0 "[ . 1]" 3
355 2 13 LYS QG 2 14 VAL H 4.000 . 4.500 4.269 4.075 4.540 0.040 9 0 "[ . 1]" 3
356 2 13 LYS H 2 13 LYS QG 2.500 . 3.000 2.221 1.788 3.011 0.012 9 0 "[ . 1]" 3
357 2 13 LYS H 2 13 LYS QE 4.000 . 4.500 3.864 3.741 3.978 . 0 0 "[ . 1]" 3
358 2 30 LYS H 2 31 LEU H 3.000 . 3.500 2.864 2.729 2.938 . 0 0 "[ . 1]" 3
359 2 31 LEU HA 2 32 ALA H 4.000 . 4.500 3.444 3.435 3.474 . 0 0 "[ . 1]" 3
360 2 31 LEU HA 2 34 SER H 4.000 . 4.500 3.773 3.749 3.793 . 0 0 "[ . 1]" 3
361 2 31 LEU HA 2 33 GLN H 4.000 . 4.500 4.398 4.316 4.485 . 0 0 "[ . 1]" 3
362 2 31 LEU H 2 31 LEU HA 2.500 . 3.000 2.726 2.712 2.746 . 0 0 "[ . 1]" 3
363 2 31 LEU HA 2 35 ILE H 4.000 . 4.500 4.380 4.286 4.491 . 0 0 "[ . 1]" 3
364 2 31 LEU QB 2 32 ALA H 2.500 . 3.000 2.975 2.873 3.004 0.004 9 0 "[ . 1]" 3
365 2 31 LEU H 2 31 LEU QB 2.500 . 3.000 2.255 2.249 2.260 . 0 0 "[ . 1]" 3
366 2 3 SER H 2 17 ASP HA 4.000 . 4.500 4.548 4.528 4.562 0.062 6 0 "[ . 1]" 3
367 2 17 ASP HA 2 18 LEU H 2.500 . 3.000 2.174 2.162 2.188 . 0 0 "[ . 1]" 3
368 2 4 LEU H 2 17 ASP HA 3.000 . 3.500 3.362 2.950 3.514 0.014 7 0 "[ . 1]" 3
369 2 17 ASP QB 2 18 LEU H 2.500 . 3.000 3.065 3.053 3.079 0.079 8 0 "[ . 1]" 3
370 2 17 ASP H 2 17 ASP QB 2.500 . 3.000 2.827 2.508 3.035 0.035 8 0 "[ . 1]" 3
371 2 66 ASP HA 2 67 GLN H 2.500 . 3.000 2.840 2.772 2.924 . 0 0 "[ . 1]" 3
372 2 63 LYS H 2 66 ASP QB 3.000 . 3.500 2.521 2.418 2.637 . 0 0 "[ . 1]" 3
373 2 66 ASP QB 2 67 GLN H 2.500 . 3.000 2.116 1.961 2.210 . 0 0 "[ . 1]" 3
374 2 66 ASP H 2 66 ASP QB 2.500 . 3.000 2.429 2.396 2.483 . 0 0 "[ . 1]" 3
375 2 53 ASP H 2 55 LYS H 5.000 . 5.500 4.026 3.399 4.338 . 0 0 "[ . 1]" 3
376 2 53 ASP HA 2 54 SER H 4.000 . 4.500 3.423 3.400 3.443 . 0 0 "[ . 1]" 3
377 2 53 ASP H 2 53 ASP HA 2.500 . 3.000 2.902 2.812 2.960 . 0 0 "[ . 1]" 3
378 2 53 ASP QB 2 54 SER H 2.500 . 3.000 3.034 3.011 3.081 0.081 1 0 "[ . 1]" 3
379 2 53 ASP H 2 53 ASP QB 2.500 . 3.000 2.490 2.402 2.600 . 0 0 "[ . 1]" 3
380 2 22 ASN H 2 22 ASN QD 4.000 . 4.500 3.234 3.167 3.320 . 0 0 "[ . 1]" 3
381 2 22 ASN QB 2 23 THR H 2.500 . 3.000 3.052 3.013 3.090 0.090 6 0 "[ . 1]" 3
382 2 22 ASN H 2 22 ASN QB 2.500 . 3.000 2.553 2.472 2.631 . 0 0 "[ . 1]" 3
383 2 8 ASN H 2 12 GLU H 4.000 . 4.500 3.673 2.937 4.234 . 0 0 "[ . 1]" 3
384 2 10 LYS H 2 12 GLU H 4.000 . 4.500 3.464 3.206 3.760 . 0 0 "[ . 1]" 3
385 2 11 LYS H 2 12 GLU H 2.500 . 3.000 2.835 2.615 3.007 0.007 3 0 "[ . 1]" 3
386 2 12 GLU HA 2 13 LYS H 2.500 . 3.000 2.173 2.158 2.225 . 0 0 "[ . 1]" 3
387 2 12 GLU QB 2 13 LYS H 2.500 . 3.000 3.032 3.017 3.050 0.050 10 0 "[ . 1]" 3
388 2 12 GLU H 2 12 GLU QB 2.500 . 3.000 2.503 2.290 2.609 . 0 0 "[ . 1]" 3
389 2 8 ASN H 2 12 GLU QB 4.000 . 4.500 3.774 3.482 3.948 . 0 0 "[ . 1]" 3
390 2 8 ASN QD 2 12 GLU QB 2.500 . 3.000 2.338 1.786 2.536 0.014 1 0 "[ . 1]" 3
391 2 12 GLU QG 2 13 LYS H 4.000 . 4.500 4.303 4.068 4.509 0.009 9 0 "[ . 1]" 3
392 2 12 GLU H 2 12 GLU QG 3.000 . 3.500 2.186 1.800 3.298 0.000 8 0 "[ . 1]" 3
393 2 8 ASN H 2 12 GLU QG 5.000 . 5.500 5.107 4.724 5.365 . 0 0 "[ . 1]" 3
394 2 8 ASN QD 2 12 GLU QG 2.500 . 3.000 3.007 3.001 3.018 0.018 1 0 "[ . 1]" 3
395 2 23 THR H 2 26 GLU H 4.000 . 4.500 3.534 3.435 3.613 . 0 0 "[ . 1]" 3
396 2 26 GLU HA 2 29 THR H 2.500 . 3.000 3.082 3.070 3.095 0.095 8 0 "[ . 1]" 3
397 2 26 GLU H 2 26 GLU HA 2.500 . 3.000 2.860 2.835 2.872 . 0 0 "[ . 1]" 3
398 2 26 GLU HA 2 30 LYS H 4.000 . 4.500 3.889 3.716 4.100 . 0 0 "[ . 1]" 3
399 2 23 THR H 2 26 GLU QB 2.500 . 3.000 2.970 2.903 3.008 0.008 10 0 "[ . 1]" 3
400 2 26 GLU QB 2 27 THR H 2.500 . 3.000 2.548 2.503 2.647 . 0 0 "[ . 1]" 3
401 2 26 GLU H 2 26 GLU QB 2.500 . 3.000 2.340 2.246 2.407 . 0 0 "[ . 1]" 3
402 2 22 ASN QD 2 26 GLU QB 3.000 . 3.500 3.483 3.356 3.509 0.009 2 0 "[ . 1]" 3
403 2 23 THR H 2 26 GLU QG 4.000 . 4.500 3.275 3.004 3.659 . 0 0 "[ . 1]" 3
404 2 26 GLU QG 2 27 THR H 4.000 . 4.500 4.138 4.049 4.240 . 0 0 "[ . 1]" 3
405 2 26 GLU H 2 26 GLU QG 2.500 . 3.000 2.395 2.280 2.615 . 0 0 "[ . 1]" 3
406 2 22 ASN QD 2 26 GLU QG 4.000 . 4.500 3.740 2.978 4.225 . 0 0 "[ . 1]" 3
407 2 23 THR MG 2 26 GLU H 5.000 . 5.500 3.744 3.097 4.340 . 0 0 "[ . 1]" 3
408 2 49 LYS QB 2 50 VAL H 4.000 . 4.500 4.001 3.816 4.054 . 0 0 "[ . 1]" 3
409 2 49 LYS H 2 49 LYS QB 2.500 . 3.000 2.629 2.593 2.660 . 0 0 "[ . 1]" 3
410 2 49 LYS H 2 49 LYS QD 5.000 . 5.500 4.625 4.332 5.031 . 0 0 "[ . 1]" 3
411 2 49 LYS H 2 49 LYS QE 5.000 . 5.500 5.070 4.361 5.506 0.006 4 0 "[ . 1]" 3
412 2 30 LYS HA 2 32 ALA H 4.000 . 4.500 3.649 3.620 3.710 . 0 0 "[ . 1]" 3
413 2 30 LYS HA 2 34 SER H 4.000 . 4.500 4.422 4.301 4.505 0.005 8 0 "[ . 1]" 3
414 2 30 LYS HA 2 33 GLN H 2.500 . 3.000 2.891 2.851 2.926 . 0 0 "[ . 1]" 3
415 2 30 LYS HA 2 31 LEU H 4.000 . 4.500 3.580 3.577 3.583 . 0 0 "[ . 1]" 3
416 2 30 LYS H 2 30 LYS HA 3.000 . 3.500 2.829 2.792 2.876 . 0 0 "[ . 1]" 3
417 2 30 LYS QB 2 32 ALA H 4.000 . 4.500 4.165 4.133 4.250 . 0 0 "[ . 1]" 3
418 2 30 LYS QB 2 31 LEU H 2.500 . 3.000 2.086 2.065 2.133 . 0 0 "[ . 1]" 3
419 2 30 LYS H 2 30 LYS QB 2.500 . 3.000 2.259 2.253 2.282 . 0 0 "[ . 1]" 3
420 2 30 LYS QG 2 32 ALA H 4.000 . 4.500 4.522 4.513 4.536 0.036 10 0 "[ . 1]" 3
421 2 30 LYS QG 2 31 LEU H 3.000 . 3.500 3.290 3.249 3.346 . 0 0 "[ . 1]" 3
422 2 30 LYS H 2 30 LYS QG 4.000 . 4.500 4.034 4.024 4.042 . 0 0 "[ . 1]" 3
423 2 30 LYS QD 2 32 ALA H 5.000 . 5.500 5.335 5.182 5.479 . 0 0 "[ . 1]" 3
424 2 30 LYS H 2 30 LYS QD 4.000 . 4.500 4.079 4.032 4.127 . 0 0 "[ . 1]" 3
425 2 16 LEU QD 2 30 LYS H 6.000 . 6.500 4.535 4.404 4.646 . 0 0 "[ . 1]" 3
426 2 8 ASN H 2 11 LYS H 4.000 . 4.500 3.842 3.444 4.207 . 0 0 "[ . 1]" 3
427 2 8 ASN H 2 8 ASN QD 4.000 . 4.500 3.076 1.787 3.700 0.013 8 0 "[ . 1]" 3
428 2 8 ASN H 2 8 ASN QB 2.500 . 3.000 2.888 2.815 3.013 0.013 2 0 "[ . 1]" 3
429 2 8 ASN QB 2 10 LYS H 4.000 . 4.500 3.132 2.701 3.334 . 0 0 "[ . 1]" 3
430 2 8 ASN H 2 10 LYS H 5.000 . 5.500 3.775 3.620 4.109 . 0 0 "[ . 1]" 3
431 2 8 ASN QB 2 8 ASN QD 2.500 . 3.000 2.445 2.273 2.809 . 0 0 "[ . 1]" 3
432 2 41 GLN H 2 42 ILE H 2.500 . 3.000 1.764 1.742 1.775 0.058 6 0 "[ . 1]" 3
433 2 40 SER H 2 42 ILE H 4.000 . 4.500 3.763 3.720 3.810 . 0 0 "[ . 1]" 3
434 2 40 SER H 2 41 GLN H 3.000 . 3.500 2.465 2.422 2.541 . 0 0 "[ . 1]" 3
435 2 41 GLN HA 2 73 SER H 4.000 . 4.500 4.462 4.351 4.508 0.008 4 0 "[ . 1]" 3
436 2 41 GLN HA 2 42 ILE H 4.000 . 4.500 3.456 3.452 3.459 . 0 0 "[ . 1]" 3
437 2 41 GLN QB 2 73 SER H 2.500 . 3.000 2.081 1.966 2.422 . 0 0 "[ . 1]" 3
438 2 41 GLN QB 2 42 ILE H 3.000 . 3.500 3.212 3.163 3.346 . 0 0 "[ . 1]" 3
439 2 41 GLN H 2 41 GLN QB 2.500 . 3.000 3.095 3.080 3.102 0.102 6 0 "[ . 1]" 3
440 2 41 GLN QB 2 41 GLN QE 2.500 . 3.000 1.922 1.807 2.039 . 0 0 "[ . 1]" 3
441 2 41 GLN QG 2 73 SER H 3.000 . 3.500 3.534 3.524 3.539 0.039 10 0 "[ . 1]" 3
442 2 41 GLN QG 2 42 ILE H 3.000 . 3.500 2.535 2.194 2.662 . 0 0 "[ . 1]" 3
443 2 41 GLN H 2 41 GLN QG 2.500 . 3.000 1.902 1.799 1.962 0.001 4 0 "[ . 1]" 3
444 2 41 GLN QE 2 41 GLN QG 2.500 . 3.000 2.725 2.631 2.798 . 0 0 "[ . 1]" 3
445 2 41 GLN QE 2 75 LYS HA 5.000 . 5.500 4.774 4.073 5.251 . 0 0 "[ . 1]" 3
446 2 41 GLN QE 2 75 LYS QG 5.000 . 5.500 4.515 3.489 5.501 0.001 5 0 "[ . 1]" 3
447 2 41 GLN QE 2 75 LYS QD 5.000 . 5.500 4.725 3.709 5.323 . 0 0 "[ . 1]" 3
448 2 41 GLN QE 2 75 LYS QE 5.000 . 5.500 5.461 5.251 5.508 0.008 3 0 "[ . 1]" 3
449 2 10 LYS H 2 11 LYS H 2.500 . 3.000 2.408 2.343 2.447 . 0 0 "[ . 1]" 3
450 2 9 PHE H 2 10 LYS H 4.000 . 4.500 2.209 1.790 2.601 0.010 1 0 "[ . 1]" 3
451 2 10 LYS H 2 10 LYS HA 2.500 . 3.000 2.939 2.928 2.948 . 0 0 "[ . 1]" 3
452 2 10 LYS HA 2 11 LYS H 3.000 . 3.500 3.131 3.093 3.197 . 0 0 "[ . 1]" 3
453 2 10 LYS H 2 10 LYS QB 2.500 . 3.000 2.380 2.302 2.715 . 0 0 "[ . 1]" 3
454 2 10 LYS QB 2 11 LYS H 4.000 . 4.500 3.579 3.470 3.937 . 0 0 "[ . 1]" 3
455 2 10 LYS H 2 10 LYS QG 2.500 . 3.000 2.807 1.884 3.005 0.005 9 0 "[ . 1]" 3
456 2 10 LYS QG 2 11 LYS H 5.000 . 5.500 4.287 3.107 4.445 . 0 0 "[ . 1]" 3
457 2 10 LYS H 2 10 LYS QD 4.000 . 4.500 3.933 3.734 4.030 . 0 0 "[ . 1]" 3
458 2 10 LYS H 2 10 LYS QE 4.000 . 4.500 2.259 2.202 2.346 . 0 0 "[ . 1]" 3
459 2 10 LYS QE 2 11 LYS H 4.000 . 4.500 4.506 4.504 4.511 0.011 9 0 "[ . 1]" 3
460 2 62 LEU HA 2 63 LYS H 2.500 . 3.000 2.414 2.320 2.526 . 0 0 "[ . 1]" 3
461 2 62 LEU H 2 62 LEU HA 2.500 . 3.000 2.852 2.815 2.872 . 0 0 "[ . 1]" 3
462 2 62 LEU QB 2 63 LYS H 3.000 . 3.500 2.269 2.080 2.492 . 0 0 "[ . 1]" 3
463 2 62 LEU H 2 62 LEU QB 2.500 . 3.000 2.382 2.360 2.408 . 0 0 "[ . 1]" 3
464 2 35 ILE HA 2 36 SER H 6.000 . 6.500 3.423 3.418 3.433 . 0 0 "[ . 1]" 3
465 2 40 SER HA 2 42 ILE H 4.000 . 4.500 4.542 4.535 4.550 0.050 6 0 "[ . 1]" 3
466 2 40 SER HA 2 41 GLN H 4.000 . 4.500 3.360 3.350 3.370 . 0 0 "[ . 1]" 3
467 2 40 SER H 2 40 SER HA 2.500 . 3.000 2.892 2.873 2.903 . 0 0 "[ . 1]" 3
468 2 40 SER QB 2 42 ILE H 5.000 . 5.500 4.943 4.788 5.232 . 0 0 "[ . 1]" 3
469 2 40 SER QB 2 41 GLN H 4.000 . 4.500 3.415 3.232 3.779 . 0 0 "[ . 1]" 3
470 2 40 SER H 2 40 SER QB 2.500 . 3.000 2.389 2.226 2.726 . 0 0 "[ . 1]" 3
471 2 11 LYS HA 2 12 GLU H 4.000 . 4.500 3.264 2.812 3.469 . 0 0 "[ . 1]" 3
472 2 10 LYS H 2 11 LYS HA 4.000 . 4.500 4.557 4.536 4.576 0.076 1 0 "[ . 1]" 3
473 2 11 LYS H 2 11 LYS HA 2.500 . 3.000 2.287 2.281 2.293 . 0 0 "[ . 1]" 3
474 2 11 LYS QG 2 12 GLU H 5.000 . 5.500 4.299 3.956 4.572 . 0 0 "[ . 1]" 3
475 2 11 LYS H 2 11 LYS QG 2.500 . 3.000 2.786 2.656 2.909 . 0 0 "[ . 1]" 3
476 2 11 LYS H 2 11 LYS QD 3.000 . 3.500 3.208 2.678 3.507 0.007 5 0 "[ . 1]" 3
477 2 9 PHE HA 2 10 LYS H 4.000 . 4.500 3.350 3.324 3.385 . 0 0 "[ . 1]" 3
478 2 9 PHE QB 2 10 LYS H 4.000 . 4.500 3.236 3.175 3.314 . 0 0 "[ . 1]" 3
479 2 9 PHE QB 2 11 LYS H 4.000 . 4.500 4.532 4.506 4.555 0.055 1 0 "[ . 1]" 3
480 2 76 LYS H 2 76 LYS QB 2.500 . 3.000 2.497 2.350 2.618 . 0 0 "[ . 1]" 3
481 2 76 LYS H 2 76 LYS QG 2.500 . 3.000 2.086 1.921 2.504 . 0 0 "[ . 1]" 3
482 2 47 SER HA 2 48 GLY H 3.000 . 3.500 2.807 2.774 2.868 . 0 0 "[ . 1]" 3
483 2 47 SER HA 2 49 LYS H 4.000 . 4.500 4.564 4.556 4.570 0.070 2 0 "[ . 1]" 3
484 2 47 SER QB 2 48 GLY H 4.000 . 4.500 3.896 3.855 4.036 . 0 0 "[ . 1]" 3
485 2 47 SER QB 2 49 LYS H 4.000 . 4.500 4.178 4.053 4.520 0.020 8 0 "[ . 1]" 3
486 2 57 VAL HA 2 58 SER H 4.000 . 4.500 3.529 3.501 3.546 . 0 0 "[ . 1]" 3
487 2 57 VAL HA 2 59 GLU H 5.000 . 5.500 4.258 4.194 4.392 . 0 0 "[ . 1]" 3
488 2 57 VAL HA 2 60 CYS H 4.000 . 4.500 3.209 3.136 3.355 . 0 0 "[ . 1]" 3
489 2 24 ILE H 2 55 LYS H 5.000 . 5.500 3.770 3.356 4.250 . 0 0 "[ . 1]" 3
490 2 24 ILE H 2 56 THR H 5.000 . 5.500 4.761 4.457 5.007 . 0 0 "[ . 1]" 3
491 2 24 ILE H 2 57 VAL H 5.000 . 5.500 5.168 4.991 5.348 . 0 0 "[ . 1]" 3
492 2 54 SER H 2 55 LYS QB 4.000 . 4.500 4.235 3.965 4.420 . 0 0 "[ . 1]" 3
493 2 55 LYS QB 2 56 THR H 2.500 . 3.000 2.962 2.739 3.020 0.020 1 0 "[ . 1]" 3
494 2 55 LYS QB 2 59 GLU H 4.000 . 4.500 4.441 4.336 4.524 0.024 1 0 "[ . 1]" 3
495 2 55 LYS QB 2 60 CYS H 4.000 . 4.500 3.681 3.525 3.766 . 0 0 "[ . 1]" 3
496 2 55 LYS H 2 55 LYS QB 2.500 . 3.000 2.552 2.390 2.627 . 0 0 "[ . 1]" 3
497 2 54 SER H 2 55 LYS QG 3.000 . 3.500 3.494 3.253 3.560 0.060 1 0 "[ . 1]" 3
498 2 55 LYS QG 2 56 THR H 4.000 . 4.500 4.256 3.776 4.526 0.026 4 0 "[ . 1]" 3
499 2 55 LYS QG 2 60 CYS H 5.000 . 5.500 5.538 5.506 5.560 0.060 9 0 "[ . 1]" 3
500 2 55 LYS H 2 55 LYS QG 2.500 . 3.000 2.935 2.745 3.016 0.016 3 0 "[ . 1]" 3
501 2 15 PRO HA 2 16 LEU H 2.500 . 3.000 2.211 2.195 2.221 . 0 0 "[ . 1]" 3
502 2 15 PRO QB 2 16 LEU H 2.500 . 3.000 3.057 3.033 3.078 0.078 1 0 "[ . 1]" 3
503 2 14 VAL H 2 15 PRO QD 4.000 . 4.500 3.307 3.183 3.417 . 0 0 "[ . 1]" 3
504 2 15 PRO QD 2 16 LEU H 5.000 . 5.500 4.943 4.928 4.954 . 0 0 "[ . 1]" 3
505 2 20 PRO QB 2 21 SER H 2.500 . 3.000 3.005 2.992 3.020 0.020 3 0 "[ . 1]" 3
506 2 20 PRO QG 2 21 SER H 2.500 . 3.000 3.034 3.026 3.043 0.043 3 0 "[ . 1]" 3
507 2 20 PRO QD 2 21 SER H 2.500 . 3.000 3.072 3.070 3.075 0.075 5 0 "[ . 1]" 3
508 2 19 GLU H 2 20 PRO QD 4.000 . 4.500 4.302 4.298 4.310 . 0 0 "[ . 1]" 3
509 2 35 ILE HB 2 37 CYS H 4.000 . 4.500 4.253 4.230 4.280 . 0 0 "[ . 1]" 3
510 2 35 ILE HB 2 36 SER H 4.000 . 4.500 4.076 4.054 4.089 . 0 0 "[ . 1]" 3
511 2 35 ILE H 2 35 ILE HB 3.000 . 3.500 3.620 3.609 3.628 0.128 10 0 "[ . 1]" 3
512 2 35 ILE MG 2 37 CYS H 4.000 . 4.500 4.529 4.511 4.537 0.037 2 0 "[ . 1]" 3
513 2 35 ILE MG 2 36 SER H 4.000 . 4.500 3.962 3.946 3.986 . 0 0 "[ . 1]" 3
514 2 35 ILE H 2 35 ILE MG 2.500 . 3.000 2.405 2.383 2.433 . 0 0 "[ . 1]" 3
515 2 35 ILE QG 2 37 CYS H 3.000 . 3.500 2.009 1.987 2.030 . 0 0 "[ . 1]" 3
516 2 35 ILE QG 2 36 SER H 3.000 . 3.500 2.433 2.406 2.477 . 0 0 "[ . 1]" 3
517 2 35 ILE H 2 35 ILE QG 2.500 . 3.000 1.786 1.775 1.792 0.025 6 0 "[ . 1]" 3
518 2 35 ILE MD 2 37 CYS H 4.000 . 4.500 3.411 3.382 3.440 . 0 0 "[ . 1]" 3
519 2 35 ILE MD 2 36 SER H 4.000 . 4.500 4.165 4.141 4.197 . 0 0 "[ . 1]" 3
520 2 35 ILE H 2 35 ILE MD 3.000 . 3.500 3.312 3.267 3.365 . 0 0 "[ . 1]" 3
521 2 31 LEU HG 2 32 ALA H 4.000 . 4.500 4.153 4.091 4.193 . 0 0 "[ . 1]" 3
522 2 31 LEU H 2 31 LEU HG 4.000 . 4.500 4.508 4.503 4.513 0.013 3 0 "[ . 1]" 3
523 2 14 VAL H 2 31 LEU QD 4.000 . 4.500 4.516 4.487 4.541 0.041 10 0 "[ . 1]" 3
524 2 31 LEU QD 2 32 ALA H 4.000 . 4.500 4.130 4.085 4.163 . 0 0 "[ . 1]" 3
525 2 31 LEU QD 2 71 MET H 5.000 . 5.500 4.429 4.219 4.727 . 0 0 "[ . 1]" 3
526 2 6 PHE H 2 31 LEU QD 4.000 . 4.500 4.071 3.895 4.200 . 0 0 "[ . 1]" 3
527 2 31 LEU QD 2 34 SER H 4.000 . 4.500 4.375 4.187 4.502 0.002 10 0 "[ . 1]" 3
528 2 31 LEU H 2 31 LEU QD 3.000 . 3.500 3.572 3.555 3.589 0.089 2 0 "[ . 1]" 3
529 2 31 LEU QD 2 35 ILE H 4.000 . 4.500 4.014 3.873 4.166 . 0 0 "[ . 1]" 3
530 2 29 THR H 2 29 THR HB 2.500 . 3.000 2.996 2.882 3.020 0.020 6 0 "[ . 1]" 3
531 2 29 THR HB 2 30 LYS H 4.000 . 4.500 2.489 2.264 2.722 . 0 0 "[ . 1]" 3
532 2 29 THR H 2 29 THR MG 3.000 . 3.500 3.560 3.541 3.640 0.140 1 0 "[ . 1]" 3
533 2 29 THR MG 2 30 LYS H 4.000 . 4.500 3.897 3.726 4.040 . 0 0 "[ . 1]" 3
534 2 23 THR H 2 23 THR MG 2.500 . 3.000 1.954 1.799 2.114 0.001 9 0 "[ . 1]" 3
535 2 23 THR MG 2 24 ILE H 4.000 . 4.500 3.917 3.772 4.030 . 0 0 "[ . 1]" 3
536 2 41 GLN H 2 41 GLN QE 4.000 . 4.500 4.534 4.516 4.593 0.093 4 0 "[ . 1]" 3
537 2 42 ILE H 2 42 ILE HB 4.000 . 4.500 2.021 2.006 2.030 . 0 0 "[ . 1]" 3
538 2 41 GLN H 2 42 ILE HB 4.000 . 4.500 3.396 3.389 3.407 . 0 0 "[ . 1]" 3
539 2 39 GLU H 2 42 ILE MG 5.000 . 5.500 5.530 5.503 5.559 0.059 2 0 "[ . 1]" 3
540 2 42 ILE MG 2 73 SER H 5.000 . 5.500 5.520 5.506 5.533 0.033 10 0 "[ . 1]" 3
541 2 42 ILE H 2 42 ILE MG 3.000 . 3.500 3.413 3.398 3.422 . 0 0 "[ . 1]" 3
542 2 41 GLN H 2 42 ILE MG 4.000 . 4.500 4.613 4.599 4.627 0.127 9 0 "[ . 1]" 3
543 2 40 SER H 2 42 ILE MG 5.000 . 5.500 5.473 5.437 5.520 0.020 6 0 "[ . 1]" 3
544 2 42 ILE QG 2 73 SER H 4.000 . 4.500 3.926 3.777 4.016 . 0 0 "[ . 1]" 3
545 2 42 ILE H 2 42 ILE QG 2.500 . 3.000 3.061 3.048 3.069 0.069 5 0 "[ . 1]" 3
546 2 41 GLN H 2 42 ILE QG 4.000 . 4.500 4.490 4.445 4.512 0.012 4 0 "[ . 1]" 3
547 2 39 GLU H 2 42 ILE MD 4.000 . 4.500 4.173 4.061 4.351 . 0 0 "[ . 1]" 3
548 2 42 ILE MD 2 73 SER H 5.000 . 5.500 5.409 5.256 5.511 0.011 4 0 "[ . 1]" 3
549 2 42 ILE MD 2 71 MET H 5.000 . 5.500 5.368 5.210 5.505 0.005 8 0 "[ . 1]" 3
550 2 38 GLU H 2 42 ILE MD 5.000 . 5.500 4.928 4.392 5.206 . 0 0 "[ . 1]" 3
551 2 42 ILE H 2 42 ILE MD 3.000 . 3.500 3.554 3.543 3.563 0.063 7 0 "[ . 1]" 3
552 2 41 GLN H 2 42 ILE MD 4.000 . 4.500 4.525 4.498 4.540 0.040 8 0 "[ . 1]" 3
553 2 40 SER H 2 42 ILE MD 5.000 . 5.500 4.853 4.784 4.936 . 0 0 "[ . 1]" 3
554 2 42 ILE H 2 72 VAL QG 5.000 . 5.500 3.692 3.630 3.782 . 0 0 "[ . 1]" 3
555 2 44 LEU H 2 44 LEU HG 4.000 . 4.500 4.462 4.420 4.509 0.009 1 0 "[ . 1]" 3
556 2 44 LEU H 2 44 LEU QD 4.000 . 4.500 3.237 2.891 3.433 . 0 0 "[ . 1]" 3
557 2 45 ILE HB 2 48 GLY H 6.000 . 6.500 3.604 3.549 3.664 . 0 0 "[ . 1]" 3
558 2 45 ILE H 2 45 ILE HB 2.500 . 3.000 2.785 2.737 2.840 . 0 0 "[ . 1]" 3
559 2 45 ILE HB 2 70 PHE H 4.000 . 4.500 4.258 4.231 4.305 . 0 0 "[ . 1]" 3
560 2 45 ILE HB 2 46 TYR H 4.000 . 4.500 3.133 3.073 3.169 . 0 0 "[ . 1]" 3
561 2 45 ILE HB 2 69 VAL H 4.000 . 4.500 3.710 3.642 3.746 . 0 0 "[ . 1]" 3
562 2 45 ILE MG 2 48 GLY H 3.000 . 3.500 2.473 2.304 2.686 . 0 0 "[ . 1]" 3
563 2 45 ILE H 2 45 ILE MG 4.000 . 4.500 3.815 3.791 3.840 . 0 0 "[ . 1]" 3
564 2 45 ILE MG 2 70 PHE H 5.000 . 5.500 5.542 5.526 5.576 0.076 2 0 "[ . 1]" 3
565 2 45 ILE MG 2 46 TYR H 2.500 . 3.000 1.749 1.726 1.765 0.074 2 0 "[ . 1]" 3
566 2 45 ILE MG 2 69 VAL H 4.000 . 4.500 4.527 4.520 4.536 0.036 10 0 "[ . 1]" 3
567 2 45 ILE MG 2 50 VAL H 4.000 . 4.500 2.105 1.986 2.202 . 0 0 "[ . 1]" 3
568 2 45 ILE MG 2 49 LYS H 2.500 . 3.000 1.845 1.811 1.912 . 0 0 "[ . 1]" 3
569 2 45 ILE QG 2 48 GLY H 5.000 . 5.500 5.300 5.210 5.364 . 0 0 "[ . 1]" 3
570 2 45 ILE H 2 45 ILE QG 2.500 . 3.000 1.918 1.848 1.998 . 0 0 "[ . 1]" 3
571 2 45 ILE QG 2 71 MET H 4.000 . 4.500 3.639 3.579 3.733 . 0 0 "[ . 1]" 3
572 2 45 ILE QG 2 70 PHE H 4.000 . 4.500 4.564 4.540 4.572 0.072 1 0 "[ . 1]" 3
573 2 45 ILE QG 2 46 TYR H 4.000 . 4.500 4.147 4.119 4.189 . 0 0 "[ . 1]" 3
574 2 45 ILE MD 2 48 GLY H 5.000 . 5.500 4.238 4.173 4.290 . 0 0 "[ . 1]" 3
575 2 45 ILE H 2 45 ILE MD 2.500 . 3.000 3.142 3.129 3.152 0.152 3 0 "[ . 1]" 3
576 2 45 ILE MD 2 71 MET H 3.000 . 3.500 3.518 3.491 3.532 0.032 5 0 "[ . 1]" 3
577 2 45 ILE MD 2 46 TYR H 4.000 . 4.500 4.529 4.503 4.568 0.068 2 0 "[ . 1]" 3
578 2 45 ILE MD 2 50 VAL H 4.000 . 4.500 4.556 4.535 4.567 0.067 9 0 "[ . 1]" 3
579 2 45 ILE MD 2 49 LYS H 4.000 . 4.500 4.572 4.563 4.587 0.087 8 0 "[ . 1]" 3
580 2 4 LEU H 2 4 LEU HG 3.000 . 3.500 2.576 2.389 3.027 . 0 0 "[ . 1]" 3
581 2 4 LEU HG 2 5 THR H 4.000 . 4.500 4.544 4.516 4.568 0.068 7 0 "[ . 1]" 3
582 2 2 VAL QG 2 18 LEU H 4.000 . 4.500 2.372 2.181 2.583 . 0 0 "[ . 1]" 3
583 2 2 VAL QG 2 19 GLU H 5.000 . 5.500 3.692 3.573 3.821 . 0 0 "[ . 1]" 3
584 2 4 LEU H 2 4 LEU QD 4.000 . 4.500 3.227 3.125 3.592 . 0 0 "[ . 1]" 3
585 2 4 LEU QD 2 64 ASP H 4.000 . 4.500 4.574 4.547 4.619 0.119 3 0 "[ . 1]" 3
586 2 4 LEU QD 2 5 THR H 2.500 . 3.000 3.074 3.029 3.101 0.101 9 0 "[ . 1]" 3
587 2 5 THR HB 2 68 VAL H 4.000 . 4.500 3.872 3.643 4.235 . 0 0 "[ . 1]" 3
588 2 5 THR HB 2 6 PHE H 4.000 . 4.500 4.461 4.213 4.520 0.020 6 0 "[ . 1]" 3
589 2 5 THR H 2 5 THR HB 3.000 . 3.500 2.591 2.466 2.664 . 0 0 "[ . 1]" 3
590 2 5 THR MG 2 14 VAL H 3.000 . 3.500 2.543 2.284 2.707 . 0 0 "[ . 1]" 3
591 2 5 THR MG 2 7 LYS H 3.000 . 3.500 3.576 3.550 3.595 0.095 8 0 "[ . 1]" 3
592 2 5 THR MG 2 6 PHE H 2.500 . 3.000 2.848 2.301 3.024 0.024 7 0 "[ . 1]" 3
593 2 5 THR H 2 5 THR MG 4.000 . 4.500 3.654 3.548 3.732 . 0 0 "[ . 1]" 3
594 2 5 THR MG 2 13 LYS H 4.000 . 4.500 4.537 4.523 4.560 0.060 6 0 "[ . 1]" 3
595 2 8 ASN QD 2 10 LYS H 4.000 . 4.500 2.700 1.784 3.386 0.016 8 0 "[ . 1]" 3
596 2 2 VAL HB 2 65 GLY H 4.000 . 4.500 3.249 1.983 3.728 . 0 0 "[ . 1]" 3
597 2 2 VAL H 2 2 VAL HB 3.000 . 3.500 3.534 3.518 3.590 0.090 3 0 "[ . 1]" 3
598 2 2 VAL HB 2 3 SER H 3.000 . 3.500 3.407 2.275 3.551 0.051 9 0 "[ . 1]" 3
599 2 2 VAL QG 2 65 GLY H 2.500 . 3.000 2.983 2.720 3.027 0.027 3 0 "[ . 1]" 3
600 2 2 VAL H 2 2 VAL QG 2.500 . 3.000 1.779 1.774 1.788 0.026 10 0 "[ . 1]" 3
601 2 2 VAL QG 2 3 SER H 2.500 . 3.000 2.913 2.710 3.007 0.007 5 0 "[ . 1]" 3
602 2 2 VAL H 2 18 LEU HA 5.000 . 5.500 5.216 4.959 5.333 . 0 0 "[ . 1]" 3
603 2 2 VAL H 2 18 LEU QB 5.000 . 5.500 4.684 4.392 4.789 . 0 0 "[ . 1]" 3
604 2 2 VAL H 2 18 LEU QD 5.000 . 5.500 5.450 5.205 5.524 0.024 5 0 "[ . 1]" 3
605 2 72 VAL HB 2 73 SER H 4.000 . 4.500 3.839 3.776 3.948 . 0 0 "[ . 1]" 3
606 2 72 VAL H 2 72 VAL HB 2.500 . 3.000 2.747 2.662 3.120 0.120 6 0 "[ . 1]" 3
607 2 72 VAL QG 2 73 SER H 2.500 . 3.000 2.260 2.125 2.342 . 0 0 "[ . 1]" 3
608 2 71 MET H 2 72 VAL QG 4.000 . 4.500 4.210 4.025 4.613 0.113 6 0 "[ . 1]" 3
609 2 72 VAL H 2 72 VAL QG 2.500 . 3.000 2.307 1.800 2.529 . 0 0 "[ . 1]" 3
610 2 41 GLN H 2 72 VAL QG 4.000 . 4.500 4.518 4.506 4.528 0.028 8 0 "[ . 1]" 3
611 2 41 GLN QE 2 72 VAL QG 2.500 . 3.000 2.942 2.777 3.133 0.133 4 0 "[ . 1]" 3
612 2 69 VAL HB 2 70 PHE H 4.000 . 4.500 4.073 4.032 4.150 . 0 0 "[ . 1]" 3
613 2 69 VAL H 2 69 VAL HB 2.500 . 3.000 2.546 2.475 2.589 . 0 0 "[ . 1]" 3
614 2 69 VAL QG 2 70 PHE H 2.500 . 3.000 2.328 2.194 2.464 . 0 0 "[ . 1]" 3
615 2 69 VAL H 2 69 VAL QG 2.500 . 3.000 2.366 2.255 2.539 . 0 0 "[ . 1]" 3
616 2 68 VAL H 2 68 VAL HB 2.500 . 3.000 2.736 2.619 2.939 . 0 0 "[ . 1]" 3
617 2 68 VAL HB 2 69 VAL H 4.000 . 4.500 3.818 3.715 3.898 . 0 0 "[ . 1]" 3
618 2 68 VAL H 2 68 VAL QG 2.500 . 3.000 2.557 2.356 2.674 . 0 0 "[ . 1]" 3
619 2 68 VAL QG 2 69 VAL H 4.000 . 4.500 2.278 2.140 2.519 . 0 0 "[ . 1]" 3
620 2 67 GLN H 2 68 VAL QG 4.000 . 4.500 3.779 3.686 3.915 . 0 0 "[ . 1]" 3
621 2 50 VAL H 2 50 VAL HB 2.500 . 3.000 2.498 2.360 2.651 . 0 0 "[ . 1]" 3
622 2 50 VAL H 2 50 VAL QG 2.500 . 3.000 2.261 2.062 2.548 . 0 0 "[ . 1]" 3
623 2 49 LYS H 2 50 VAL QG 5.000 . 5.500 4.892 4.843 4.993 . 0 0 "[ . 1]" 3
624 2 51 LEU H 2 51 LEU HG 2.500 . 3.000 2.227 2.106 2.497 . 0 0 "[ . 1]" 3
625 2 51 LEU H 2 51 LEU QD 2.500 . 3.000 3.040 3.030 3.058 0.058 2 0 "[ . 1]" 3
626 2 51 LEU QD 2 52 GLN H 2.500 . 3.000 2.952 2.766 3.016 0.016 6 0 "[ . 1]" 3
627 2 51 LEU QD 2 60 CYS H 4.000 . 4.500 4.388 4.122 4.518 0.018 2 0 "[ . 1]" 3
628 2 61 GLY H 2 62 LEU HG 4.000 . 4.500 4.198 4.100 4.274 . 0 0 "[ . 1]" 3
629 2 62 LEU HG 2 63 LYS H 4.000 . 4.500 4.536 4.509 4.570 0.070 5 0 "[ . 1]" 3
630 2 62 LEU H 2 62 LEU HG 2.500 . 3.000 2.308 2.203 2.384 . 0 0 "[ . 1]" 3
631 2 61 GLY H 2 62 LEU QD 4.000 . 4.500 4.330 4.269 4.412 . 0 0 "[ . 1]" 3
632 2 62 LEU QD 2 63 LYS H 2.500 . 3.000 3.032 3.001 3.059 0.059 10 0 "[ . 1]" 3
633 2 62 LEU QD 2 68 VAL H 4.000 . 4.500 4.385 4.232 4.521 0.021 8 0 "[ . 1]" 3
634 2 62 LEU QD 2 67 GLN H 4.000 . 4.500 3.685 3.543 3.841 . 0 0 "[ . 1]" 3
635 2 60 CYS H 2 62 LEU QD 5.000 . 5.500 4.341 4.262 4.504 . 0 0 "[ . 1]" 3
636 2 62 LEU QD 2 66 ASP H 4.000 . 4.500 4.523 4.493 4.545 0.045 9 0 "[ . 1]" 3
637 2 62 LEU H 2 62 LEU QD 2.500 . 3.000 3.031 3.014 3.060 0.060 5 0 "[ . 1]" 3
638 2 57 VAL HB 2 58 SER H 2.500 . 3.000 2.735 2.627 3.002 0.002 2 0 "[ . 1]" 3
639 2 57 VAL H 2 57 VAL HB 2.500 . 3.000 2.295 2.174 2.340 . 0 0 "[ . 1]" 3
640 2 57 VAL QG 2 61 GLY H 4.000 . 4.500 3.946 3.523 4.115 . 0 0 "[ . 1]" 3
641 2 57 VAL QG 2 58 SER H 2.500 . 3.000 3.019 3.000 3.034 0.034 9 0 "[ . 1]" 3
642 2 57 VAL QG 2 59 GLU H 5.000 . 5.500 4.426 4.378 4.514 . 0 0 "[ . 1]" 3
643 2 57 VAL QG 2 60 CYS H 4.000 . 4.500 4.064 3.976 4.256 . 0 0 "[ . 1]" 3
644 2 57 VAL QG 2 62 LEU H 2.500 . 3.000 2.979 2.718 3.064 0.064 4 0 "[ . 1]" 3
645 2 57 VAL H 2 57 VAL QG 2.500 . 3.000 2.600 2.340 2.778 . 0 0 "[ . 1]" 3
646 2 56 THR HB 2 57 VAL H 6.000 . 6.500 2.555 1.912 3.310 . 0 0 "[ . 1]" 3
647 2 56 THR H 2 56 THR MG 2.500 . 3.000 1.933 1.774 2.098 0.026 3 0 "[ . 1]" 3
648 2 56 THR MG 2 58 SER H 4.000 . 4.500 3.704 2.923 4.412 . 0 0 "[ . 1]" 3
649 2 56 THR MG 2 59 GLU H 4.000 . 4.500 3.156 2.072 4.113 . 0 0 "[ . 1]" 3
650 2 56 THR MG 2 60 CYS H 5.000 . 5.500 4.675 3.846 5.455 . 0 0 "[ . 1]" 3
651 2 56 THR MG 2 57 VAL H 3.000 . 3.500 3.562 3.545 3.587 0.087 9 0 "[ . 1]" 3
652 2 14 VAL H 2 14 VAL HB 2.500 . 3.000 2.644 2.600 2.732 . 0 0 "[ . 1]" 3
653 2 6 PHE H 2 14 VAL HB 4.000 . 4.500 3.192 2.899 3.351 . 0 0 "[ . 1]" 3
654 2 14 VAL H 2 14 VAL QG 2.500 . 3.000 2.634 2.524 2.756 . 0 0 "[ . 1]" 3
655 2 6 PHE H 2 14 VAL QG 4.000 . 4.500 3.761 3.610 3.842 . 0 0 "[ . 1]" 3
656 2 13 LYS H 2 14 VAL QG 4.000 . 4.500 4.350 4.229 4.432 . 0 0 "[ . 1]" 3
657 2 27 THR HB 2 28 LYS H 6.000 . 6.500 3.394 3.350 3.457 . 0 0 "[ . 1]" 3
658 2 27 THR MG 2 28 LYS H 2.500 . 3.000 2.153 2.042 2.240 . 0 0 "[ . 1]" 3
659 2 27 THR H 2 27 THR MG 2.500 . 3.000 3.031 2.999 3.061 0.061 1 0 "[ . 1]" 3
660 2 25 LEU H 2 25 LEU HG 4.000 . 4.500 4.474 4.269 4.599 0.099 9 0 "[ . 1]" 3
661 2 25 LEU HG 2 26 GLU H 4.000 . 4.500 4.585 4.560 4.624 0.124 2 0 "[ . 1]" 3
662 2 25 LEU H 2 25 LEU QD 4.000 . 4.500 3.612 3.520 3.746 . 0 0 "[ . 1]" 3
663 2 25 LEU QD 2 26 GLU H 2.500 . 3.000 2.687 2.459 3.003 0.003 8 0 "[ . 1]" 3
664 2 25 LEU H 2 53 ASP HA 5.000 . 5.500 3.707 3.526 3.790 . 0 0 "[ . 1]" 3
665 2 25 LEU H 2 53 ASP QB 5.000 . 5.500 4.409 4.196 4.624 . 0 0 "[ . 1]" 3
666 2 24 ILE H 2 24 ILE HB 2.500 . 3.000 2.327 2.262 2.391 . 0 0 "[ . 1]" 3
667 2 24 ILE HB 2 25 LEU H 4.000 . 4.500 2.949 2.838 3.021 . 0 0 "[ . 1]" 3
668 2 23 THR MG 2 25 LEU H 5.000 . 5.500 3.809 3.366 4.183 . 0 0 "[ . 1]" 3
669 2 24 ILE HB 2 52 GLN H 5.000 . 5.500 4.473 4.096 4.782 . 0 0 "[ . 1]" 3
670 2 24 ILE HB 2 55 LYS H 5.000 . 5.500 3.245 2.955 3.522 . 0 0 "[ . 1]" 3
671 2 24 ILE MG 2 28 LYS H 3.000 . 3.500 3.398 3.341 3.435 . 0 0 "[ . 1]" 3
672 2 24 ILE H 2 24 ILE MG 3.000 . 3.500 3.678 3.657 3.697 0.197 6 0 "[ . 1]" 3
673 2 24 ILE MG 2 25 LEU H 3.000 . 3.500 3.417 3.266 3.539 0.039 2 0 "[ . 1]" 3
674 2 24 ILE MG 2 52 GLN H 4.000 . 4.500 3.753 3.360 4.013 . 0 0 "[ . 1]" 3
675 2 24 ILE MG 2 27 THR H 5.000 . 5.500 4.422 4.358 4.489 . 0 0 "[ . 1]" 3
676 2 24 ILE MG 2 55 LYS H 4.000 . 4.500 4.496 4.369 4.530 0.030 1 0 "[ . 1]" 3
677 2 24 ILE H 2 24 ILE QG 2.500 . 3.000 2.825 2.661 3.005 0.005 1 0 "[ . 1]" 3
678 2 24 ILE QG 2 25 LEU H 4.000 . 4.500 4.523 4.503 4.556 0.056 1 0 "[ . 1]" 3
679 2 24 ILE QG 2 55 LYS H 3.000 . 3.500 3.431 3.274 3.533 0.033 8 0 "[ . 1]" 3
680 2 24 ILE MD 2 28 LYS H 4.000 . 4.500 4.618 4.602 4.638 0.138 1 0 "[ . 1]" 3
681 2 24 ILE H 2 24 ILE MD 3.000 . 3.500 2.028 1.860 2.298 . 0 0 "[ . 1]" 3
682 2 24 ILE MD 2 25 LEU H 4.000 . 4.500 4.041 3.962 4.159 . 0 0 "[ . 1]" 3
683 2 24 ILE MD 2 52 GLN H 4.000 . 4.500 4.507 4.454 4.535 0.035 6 0 "[ . 1]" 3
684 2 24 ILE MD 2 60 CYS H 4.000 . 4.500 4.538 4.511 4.565 0.065 3 0 "[ . 1]" 3
685 2 24 ILE MD 2 27 THR H 4.000 . 4.500 4.071 4.036 4.108 . 0 0 "[ . 1]" 3
686 2 24 ILE MD 2 55 LYS H 4.000 . 4.500 4.538 4.524 4.548 0.048 4 0 "[ . 1]" 3
687 2 18 LEU HG 2 19 GLU H 4.000 . 4.500 4.110 4.102 4.123 . 0 0 "[ . 1]" 3
688 2 18 LEU H 2 18 LEU HG 3.000 . 3.500 3.526 3.519 3.537 0.037 8 0 "[ . 1]" 3
689 2 18 LEU QD 2 19 GLU H 2.500 . 3.000 3.045 3.029 3.064 0.064 3 0 "[ . 1]" 3
690 2 18 LEU H 2 18 LEU QD 2.500 . 3.000 3.020 3.012 3.034 0.034 8 0 "[ . 1]" 3
691 2 16 LEU H 2 16 LEU HG 3.000 . 3.500 3.552 3.525 3.573 0.073 9 0 "[ . 1]" 3
692 2 6 PHE H 2 16 LEU HG 5.000 . 5.500 4.310 4.058 4.575 . 0 0 "[ . 1]" 3
693 2 16 LEU HG 2 17 ASP H 4.000 . 4.500 4.539 4.507 4.564 0.064 1 0 "[ . 1]" 3
694 2 16 LEU H 2 16 LEU QD 4.000 . 4.500 3.810 3.778 3.837 . 0 0 "[ . 1]" 3
695 2 16 LEU QD 2 17 ASP H 2.500 . 3.000 2.735 2.572 2.956 . 0 0 "[ . 1]" 3
696 2 1 MET QB 2 1 MET ME 2.500 . 3.000 2.278 2.057 2.430 . 0 0 "[ . 1]" 3
697 2 1 MET HA 2 19 GLU HA 5.000 . 5.500 4.774 4.212 5.031 . 0 0 "[ . 1]" 3
698 2 1 MET HA 2 20 PRO QD 5.000 . 5.500 5.257 4.365 5.508 0.008 9 0 "[ . 1]" 3
699 2 45 ILE MG 2 48 GLY QA 3.000 . 3.500 2.231 2.196 2.262 . 0 0 "[ . 1]" 3
700 2 21 SER HA 2 21 SER QB 2.500 . 3.000 2.198 2.189 2.266 . 0 0 "[ . 1]" 3
701 2 21 SER HA 2 56 THR HB 3.000 . 3.500 3.583 3.533 3.629 0.129 3 0 "[ . 1]" 3
702 2 21 SER HA 2 56 THR MG 3.000 . 3.500 3.127 2.638 3.521 0.021 1 0 "[ . 1]" 3
703 2 21 SER QB 2 56 THR MG 4.000 . 4.500 4.335 4.027 4.518 0.018 7 0 "[ . 1]" 3
704 2 23 THR HA 2 56 THR HA 2.500 . 3.000 1.710 1.661 1.744 0.139 6 0 "[ . 1]" 3
705 2 23 THR HA 2 23 THR HB 2.500 . 3.000 2.273 2.233 2.316 . 0 0 "[ . 1]" 3
706 2 23 THR HA 2 23 THR MG 2.500 . 3.000 2.747 2.485 3.018 0.018 8 0 "[ . 1]" 3
707 2 23 THR HA 2 56 THR HB 4.000 . 4.500 2.669 2.179 3.159 . 0 0 "[ . 1]" 3
708 2 23 THR HA 2 56 THR MG 3.000 . 3.500 3.528 3.400 3.602 0.102 6 0 "[ . 1]" 3
709 2 23 THR HB 2 56 THR HA 3.000 . 3.500 2.760 1.983 3.527 0.027 6 0 "[ . 1]" 3
710 2 23 THR MG 2 56 THR HA 3.000 . 3.500 3.553 3.521 3.594 0.094 5 0 "[ . 1]" 3
711 2 56 THR HA 2 56 THR HB 2.500 . 3.000 2.339 2.265 2.385 . 0 0 "[ . 1]" 3
712 2 56 THR HA 2 56 THR MG 3.000 . 3.500 2.761 2.411 3.130 . 0 0 "[ . 1]" 3
713 2 58 SER HA 2 58 SER QB 2.500 . 3.000 2.430 2.413 2.451 . 0 0 "[ . 1]" 3
714 2 57 VAL QG 2 58 SER HA 4.000 . 4.500 3.179 3.082 3.230 . 0 0 "[ . 1]" 3
715 2 20 PRO HA 2 58 SER QB 2.500 . 3.000 3.019 3.006 3.029 0.029 8 0 "[ . 1]" 3
716 2 20 PRO QB 2 58 SER QB 2.500 . 3.000 2.983 2.888 3.023 0.023 7 0 "[ . 1]" 3
717 2 2 VAL HA 2 64 ASP QB 3.000 . 3.500 3.266 2.835 3.510 0.010 1 0 "[ . 1]" 3
718 2 2 VAL HA 2 2 VAL HB 3.000 . 3.500 2.252 2.231 2.418 . 0 0 "[ . 1]" 3
719 2 2 VAL HA 2 2 VAL QG 2.500 . 3.000 2.578 2.351 2.608 . 0 0 "[ . 1]" 3
720 2 39 GLU HA 2 39 GLU QB 2.500 . 3.000 2.186 2.182 2.192 . 0 0 "[ . 1]" 3
721 2 39 GLU HA 2 39 GLU QG 3.000 . 3.500 3.428 3.407 3.446 . 0 0 "[ . 1]" 3
722 2 32 ALA MB 2 39 GLU HA 4.000 . 4.500 2.888 2.765 3.183 . 0 0 "[ . 1]" 3
723 2 39 GLU HA 2 42 ILE HB 5.000 . 5.500 1.875 1.794 1.988 0.006 6 0 "[ . 1]" 3
724 2 39 GLU HA 2 42 ILE MD 3.000 . 3.500 2.273 2.191 2.485 . 0 0 "[ . 1]" 3
725 2 29 THR HA 2 39 GLU QB 3.000 . 3.500 2.678 2.104 3.026 . 0 0 "[ . 1]" 3
726 2 25 LEU QD 2 39 GLU QB 4.000 . 4.500 4.430 4.317 4.523 0.023 2 0 "[ . 1]" 3
727 2 29 THR HA 2 39 GLU QG 3.000 . 3.500 2.809 2.593 2.966 . 0 0 "[ . 1]" 3
728 2 25 LEU QD 2 39 GLU QG 3.000 . 3.500 3.547 3.531 3.561 0.061 8 0 "[ . 1]" 3
729 2 14 VAL HA 2 15 PRO QG 4.000 . 4.500 3.760 3.737 3.796 . 0 0 "[ . 1]" 3
730 2 14 VAL HA 2 15 PRO QD 2.500 . 3.000 1.902 1.872 1.928 . 0 0 "[ . 1]" 3
731 2 14 VAL HA 2 14 VAL QG 2.500 . 3.000 2.056 2.039 2.066 . 0 0 "[ . 1]" 3
732 2 7 LYS HA 2 7 LYS QB 2.500 . 3.000 2.184 2.174 2.187 . 0 0 "[ . 1]" 3
733 2 7 LYS HA 2 7 LYS QD 3.000 . 3.500 3.519 3.506 3.529 0.029 9 0 "[ . 1]" 3
734 2 7 LYS HA 2 13 LYS HA 2.500 . 3.000 2.660 2.280 2.756 . 0 0 "[ . 1]" 3
735 2 5 THR MG 2 7 LYS HA 5.000 . 5.500 3.929 3.837 3.986 . 0 0 "[ . 1]" 3
736 2 7 LYS QB 2 7 LYS QD 2.500 . 3.000 2.082 2.032 2.147 . 0 0 "[ . 1]" 3
737 2 7 LYS QB 2 69 VAL HA 4.000 . 4.500 4.413 4.070 4.505 0.005 2 0 "[ . 1]" 3
738 2 5 THR MG 2 7 LYS QB 4.000 . 4.500 2.947 2.795 3.147 . 0 0 "[ . 1]" 3
739 2 7 LYS QE 2 7 LYS QG 2.500 . 3.000 2.105 2.091 2.132 . 0 0 "[ . 1]" 3
740 2 7 LYS QG 2 69 VAL HA 4.000 . 4.500 2.278 2.121 2.327 . 0 0 "[ . 1]" 3
741 2 45 ILE HA 2 50 VAL HA 2.500 . 3.000 1.790 1.769 1.819 0.031 2 0 "[ . 1]" 3
742 2 45 ILE HA 2 45 ILE MG 2.500 . 3.000 2.092 2.080 2.135 . 0 0 "[ . 1]" 3
743 2 45 ILE HA 2 45 ILE QG 2.500 . 3.000 2.693 2.665 2.726 . 0 0 "[ . 1]" 3
744 2 45 ILE HA 2 45 ILE MD 4.000 . 4.500 3.962 3.950 3.973 . 0 0 "[ . 1]" 3
745 2 45 ILE HA 2 51 LEU QD 4.000 . 4.500 3.541 3.272 3.678 . 0 0 "[ . 1]" 3
746 2 41 GLN HA 2 73 SER QB 3.000 . 3.500 3.213 2.966 3.510 0.010 6 0 "[ . 1]" 3
747 2 3 SER HA 2 3 SER QB 2.500 . 3.000 2.249 2.184 2.309 . 0 0 "[ . 1]" 3
748 2 3 SER HA 2 17 ASP HA 2.500 . 3.000 2.101 1.997 2.212 . 0 0 "[ . 1]" 3
749 2 63 LYS HA 2 63 LYS QB 2.500 . 3.000 2.186 2.184 2.187 . 0 0 "[ . 1]" 3
750 2 63 LYS HA 2 63 LYS QG 3.000 . 3.500 3.415 3.411 3.417 . 0 0 "[ . 1]" 3
751 2 63 LYS HA 2 63 LYS QD 3.000 . 3.500 3.557 3.544 3.566 0.066 7 0 "[ . 1]" 3
752 2 63 LYS HA 2 63 LYS QE 6.000 . 6.500 5.367 5.265 5.395 . 0 0 "[ . 1]" 3
753 2 4 LEU QD 2 63 LYS HA 4.000 . 4.500 4.386 4.254 4.494 . 0 0 "[ . 1]" 3
754 2 63 LYS QB 2 63 LYS QD 2.500 . 3.000 2.104 2.092 2.114 . 0 0 "[ . 1]" 3
755 2 63 LYS QE 2 63 LYS QG 3.000 . 3.500 2.411 2.075 2.563 . 0 0 "[ . 1]" 3
756 2 63 LYS QB 2 63 LYS QE 4.000 . 4.500 3.596 3.377 3.759 . 0 0 "[ . 1]" 3
757 2 32 ALA HA 2 35 ILE MG 4.000 . 4.500 4.243 4.058 4.375 . 0 0 "[ . 1]" 3
758 2 32 ALA HA 2 35 ILE QG 4.000 . 4.500 2.411 2.268 2.503 . 0 0 "[ . 1]" 3
759 2 32 ALA HA 2 35 ILE MD 4.000 . 4.500 2.839 2.540 2.988 . 0 0 "[ . 1]" 3
760 2 32 ALA HA 2 42 ILE MD 4.000 . 4.500 2.672 2.538 2.802 . 0 0 "[ . 1]" 3
761 2 32 ALA MB 2 39 GLU QB 3.000 . 3.500 2.237 2.122 2.537 . 0 0 "[ . 1]" 3
762 2 32 ALA MB 2 39 GLU QG 3.000 . 3.500 3.489 3.453 3.539 0.039 6 0 "[ . 1]" 3
763 2 29 THR HA 2 32 ALA MB 3.000 . 3.500 2.700 2.556 2.883 . 0 0 "[ . 1]" 3
764 2 32 ALA MB 2 38 GLU HA 4.000 . 4.500 2.771 2.268 2.941 . 0 0 "[ . 1]" 3
765 2 32 ALA MB 2 42 ILE MD 2.500 . 3.000 2.260 2.170 2.433 . 0 0 "[ . 1]" 3
766 2 71 MET HA 2 71 MET QB 2.500 . 3.000 2.334 2.159 2.536 . 0 0 "[ . 1]" 3
767 2 71 MET HA 2 71 MET QG 3.000 . 3.500 2.717 2.079 3.243 . 0 0 "[ . 1]" 3
768 2 71 MET HA 2 71 MET ME 4.000 . 4.500 4.167 3.197 4.524 0.024 10 0 "[ . 1]" 3
769 2 19 GLU HA 2 19 GLU QG 3.000 . 3.500 2.424 2.349 2.949 . 0 0 "[ . 1]" 3
770 2 19 GLU HA 2 20 PRO QD 2.500 . 3.000 2.099 2.059 2.121 . 0 0 "[ . 1]" 3
771 2 28 LYS HA 2 28 LYS QG 2.500 . 3.000 2.037 1.989 2.394 . 0 0 "[ . 1]" 3
772 2 28 LYS HA 2 31 LEU QB 3.000 . 3.500 2.693 2.573 2.757 . 0 0 "[ . 1]" 3
773 2 28 LYS HA 2 31 LEU QD 4.000 . 4.500 3.618 3.435 3.717 . 0 0 "[ . 1]" 3
774 2 28 LYS HA 2 42 ILE MG 5.000 . 5.500 3.096 2.867 3.419 . 0 0 "[ . 1]" 3
775 2 28 LYS HA 2 42 ILE MD 3.000 . 3.500 3.499 3.372 3.526 0.026 3 0 "[ . 1]" 3
776 2 25 LEU HA 2 28 LYS QB 3.000 . 3.500 2.660 2.346 3.192 . 0 0 "[ . 1]" 3
777 2 28 LYS QE 2 28 LYS QG 2.500 . 3.000 2.162 2.081 2.317 . 0 0 "[ . 1]" 3
778 2 28 LYS HA 2 28 LYS QD 3.000 . 3.500 3.547 3.514 3.566 0.066 3 0 "[ . 1]" 3
779 2 25 LEU HA 2 28 LYS QD 4.000 . 4.500 4.053 3.530 4.513 0.013 8 0 "[ . 1]" 3
780 2 24 ILE MG 2 28 LYS QD 3.000 . 3.500 3.066 2.019 3.244 . 0 0 "[ . 1]" 3
781 2 28 LYS QE 2 44 LEU QD 4.000 . 4.500 3.387 2.814 4.344 . 0 0 "[ . 1]" 3
782 2 24 ILE MG 2 28 LYS QE 2.500 . 3.000 2.288 2.138 2.596 . 0 0 "[ . 1]" 3
783 2 74 GLN HA 2 74 GLN QB 2.500 . 3.000 2.394 2.311 2.504 . 0 0 "[ . 1]" 3
784 2 74 GLN HA 2 74 GLN QG 3.000 . 3.500 2.467 2.251 2.815 . 0 0 "[ . 1]" 3
785 2 44 LEU HA 2 44 LEU QB 2.500 . 3.000 2.499 2.467 2.537 . 0 0 "[ . 1]" 3
786 2 44 LEU HA 2 70 PHE HA 3.000 . 3.500 2.818 2.610 3.067 . 0 0 "[ . 1]" 3
787 2 42 ILE MG 2 44 LEU HA 5.000 . 5.500 3.401 3.231 3.532 . 0 0 "[ . 1]" 3
788 2 44 LEU HA 2 44 LEU HG 4.000 . 4.500 2.803 2.385 3.519 . 0 0 "[ . 1]" 3
789 2 44 LEU HA 2 44 LEU QD 2.500 . 3.000 2.031 1.895 2.162 . 0 0 "[ . 1]" 3
790 2 44 LEU HA 2 51 LEU QD 5.000 . 5.500 4.322 3.975 4.490 . 0 0 "[ . 1]" 3
791 2 44 LEU QB 2 44 LEU QD 2.500 . 3.000 1.909 1.839 2.002 . 0 0 "[ . 1]" 3
792 2 70 PHE HA 2 70 PHE QB 2.500 . 3.000 2.170 2.165 2.174 . 0 0 "[ . 1]" 3
793 2 42 ILE MG 2 70 PHE HA 5.000 . 5.500 4.828 4.727 4.960 . 0 0 "[ . 1]" 3
794 2 44 LEU QD 2 70 PHE HA 3.000 . 3.500 3.541 3.501 3.567 0.067 8 0 "[ . 1]" 3
795 2 31 LEU QD 2 70 PHE QB 3.000 . 3.500 2.646 2.508 2.819 . 0 0 "[ . 1]" 3
796 2 42 ILE MG 2 70 PHE QB 3.000 . 3.500 3.328 3.192 3.448 . 0 0 "[ . 1]" 3
797 2 44 LEU QD 2 70 PHE QB 2.500 . 3.000 1.912 1.788 2.065 0.012 8 0 "[ . 1]" 3
798 2 7 LYS HA 2 70 PHE QD 4.000 . 4.500 3.804 3.730 3.911 . 0 0 "[ . 1]" 3
799 2 70 PHE HA 2 70 PHE QD 4.000 . 4.500 3.655 3.641 3.672 . 0 0 "[ . 1]" 3
800 2 6 PHE HA 2 70 PHE QD 4.000 . 4.500 3.056 2.973 3.139 . 0 0 "[ . 1]" 3
801 2 6 PHE QB 2 70 PHE QD 2.500 . 3.000 2.317 2.166 2.514 . 0 0 "[ . 1]" 3
802 2 35 ILE MD 2 70 PHE QD 4.000 . 4.500 4.267 4.114 4.503 0.003 6 0 "[ . 1]" 3
803 2 44 LEU QD 2 70 PHE QD 4.000 . 4.500 3.357 3.230 3.496 . 0 0 "[ . 1]" 3
804 2 70 PHE QD 2 72 VAL QG 3.000 . 3.500 3.049 2.824 3.532 0.032 6 0 "[ . 1]" 3
805 2 7 LYS HA 2 70 PHE QE 4.000 . 4.500 2.504 2.380 2.705 . 0 0 "[ . 1]" 3
806 2 35 ILE MD 2 70 PHE QE 4.000 . 4.500 2.832 2.676 3.095 . 0 0 "[ . 1]" 3
807 2 44 LEU QD 2 70 PHE QE 5.000 . 5.500 4.745 4.603 4.902 . 0 0 "[ . 1]" 3
808 2 70 PHE QE 2 72 VAL QG 3.000 . 3.500 2.104 2.024 2.225 . 0 0 "[ . 1]" 3
809 2 14 VAL HB 2 70 PHE QE 4.000 . 4.500 3.557 3.394 3.804 . 0 0 "[ . 1]" 3
810 2 14 VAL QG 2 70 PHE QE 4.000 . 4.500 2.826 2.512 3.144 . 0 0 "[ . 1]" 3
811 2 16 LEU HA 2 16 LEU HG 4.000 . 4.500 2.709 2.571 2.831 . 0 0 "[ . 1]" 3
812 2 16 LEU HA 2 16 LEU QD 2.500 . 3.000 2.067 1.998 2.140 . 0 0 "[ . 1]" 3
813 2 16 LEU QB 2 16 LEU HG 2.500 . 3.000 2.393 2.366 2.425 . 0 0 "[ . 1]" 3
814 2 16 LEU QB 2 16 LEU QD 2.500 . 3.000 1.890 1.870 1.906 . 0 0 "[ . 1]" 3
815 2 16 LEU QB 2 18 LEU QD 3.000 . 3.500 2.485 2.248 2.724 . 0 0 "[ . 1]" 3
816 2 18 LEU HA 2 18 LEU HG 4.000 . 4.500 2.258 2.251 2.265 . 0 0 "[ . 1]" 3
817 2 18 LEU HA 2 18 LEU QD 2.500 . 3.000 2.874 2.860 2.894 . 0 0 "[ . 1]" 3
818 2 18 LEU QB 2 57 VAL QG 3.000 . 3.500 2.246 2.041 2.447 . 0 0 "[ . 1]" 3
819 2 18 LEU QB 2 18 LEU HG 2.500 . 3.000 2.547 2.545 2.548 . 0 0 "[ . 1]" 3
820 2 18 LEU QB 2 18 LEU QD 2.500 . 3.000 1.802 1.784 1.819 0.016 5 0 "[ . 1]" 3
821 2 24 ILE HA 2 27 THR HB 2.500 . 3.000 2.573 2.510 2.620 . 0 0 "[ . 1]" 3
822 2 24 ILE HA 2 27 THR MG 3.000 . 3.500 2.373 2.256 2.497 . 0 0 "[ . 1]" 3
823 2 24 ILE HA 2 24 ILE MG 3.000 . 3.500 2.448 2.388 2.534 . 0 0 "[ . 1]" 3
824 2 24 ILE HA 2 24 ILE MD 2.500 . 3.000 1.749 1.727 1.762 0.073 5 0 "[ . 1]" 3
825 2 46 TYR HA 2 46 TYR QB 2.500 . 3.000 2.339 2.311 2.373 . 0 0 "[ . 1]" 3
826 2 46 TYR HA 2 68 VAL HA 4.000 . 4.500 3.056 2.888 3.186 . 0 0 "[ . 1]" 3
827 2 45 ILE MG 2 46 TYR HA 4.000 . 4.500 4.038 3.987 4.091 . 0 0 "[ . 1]" 3
828 2 46 TYR HA 2 68 VAL QG 4.000 . 4.500 2.321 2.182 2.743 . 0 0 "[ . 1]" 3
829 2 46 TYR QB 2 68 VAL QG 3.000 . 3.500 2.704 2.565 3.024 . 0 0 "[ . 1]" 3
830 2 46 TYR QB 2 51 LEU QD 3.000 . 3.500 1.789 1.776 1.800 0.024 10 0 "[ . 1]" 3
831 2 46 TYR HA 2 46 TYR QD 2.500 . 3.000 1.997 1.922 2.055 . 0 0 "[ . 1]" 3
832 2 46 TYR QB 2 46 TYR QD 2.500 . 3.000 2.224 2.207 2.236 . 0 0 "[ . 1]" 3
833 2 46 TYR QD 2 68 VAL HA 3.000 . 3.500 2.536 2.311 2.768 . 0 0 "[ . 1]" 3
834 2 46 TYR QD 2 47 SER QB 4.000 . 4.500 3.680 3.334 4.053 . 0 0 "[ . 1]" 3
835 2 46 TYR QD 2 68 VAL QG 3.000 . 3.500 2.501 2.275 2.745 . 0 0 "[ . 1]" 3
836 2 46 TYR QD 2 62 LEU QD 4.000 . 4.500 2.720 2.500 2.965 . 0 0 "[ . 1]" 3
837 2 46 TYR HA 2 46 TYR QE 4.000 . 4.500 4.328 4.257 4.400 . 0 0 "[ . 1]" 3
838 2 46 TYR QE 2 68 VAL HA 5.000 . 5.500 3.912 3.583 4.273 . 0 0 "[ . 1]" 3
839 2 46 TYR QE 2 66 ASP QB 4.000 . 4.500 4.126 3.706 4.503 0.003 3 0 "[ . 1]" 3
840 2 46 TYR QE 2 47 SER QB 5.000 . 5.500 3.837 3.325 4.352 . 0 0 "[ . 1]" 3
841 2 46 TYR QE 2 68 VAL QG 4.000 . 4.500 3.568 3.259 3.984 . 0 0 "[ . 1]" 3
842 2 46 TYR QE 2 62 LEU QD 4.000 . 4.500 2.377 2.230 2.537 . 0 0 "[ . 1]" 3
843 2 4 LEU HA 2 4 LEU QB 2.500 . 3.000 2.357 2.342 2.384 . 0 0 "[ . 1]" 3
844 2 4 LEU HA 2 4 LEU HG 4.000 . 4.500 2.777 2.589 2.907 . 0 0 "[ . 1]" 3
845 2 4 LEU HA 2 4 LEU QD 2.500 . 3.000 2.197 2.078 2.338 . 0 0 "[ . 1]" 3
846 2 4 LEU QB 2 4 LEU HG 2.500 . 3.000 2.454 2.422 2.495 . 0 0 "[ . 1]" 3
847 2 4 LEU QB 2 4 LEU QD 2.500 . 3.000 1.881 1.863 1.899 . 0 0 "[ . 1]" 3
848 2 4 LEU QB 2 68 VAL QG 4.000 . 4.500 2.262 2.099 2.627 . 0 0 "[ . 1]" 3
849 2 4 LEU QB 2 18 LEU QD 3.000 . 3.500 3.088 2.625 3.314 . 0 0 "[ . 1]" 3
850 2 68 VAL HA 2 68 VAL QG 2.500 . 3.000 2.033 1.999 2.111 . 0 0 "[ . 1]" 3
851 2 62 LEU QD 2 68 VAL HA 4.000 . 4.500 3.367 3.081 3.652 . 0 0 "[ . 1]" 3
852 2 42 ILE HA 2 72 VAL HA 2.500 . 3.000 2.134 1.881 2.232 . 0 0 "[ . 1]" 3
853 2 42 ILE MG 2 72 VAL HA 5.000 . 5.500 4.384 4.177 4.464 . 0 0 "[ . 1]" 3
854 2 72 VAL HA 2 72 VAL QG 2.500 . 3.000 2.095 2.043 2.372 . 0 0 "[ . 1]" 3
855 2 25 LEU HA 2 25 LEU QB 2.500 . 3.000 2.370 2.326 2.429 . 0 0 "[ . 1]" 3
856 2 25 LEU HA 2 25 LEU HG 4.000 . 4.500 3.090 2.206 3.669 . 0 0 "[ . 1]" 3
857 2 25 LEU HA 2 25 LEU QD 2.500 . 3.000 2.312 1.948 2.861 . 0 0 "[ . 1]" 3
858 2 25 LEU QB 2 53 ASP QB 3.000 . 3.500 3.492 3.371 3.513 0.013 4 0 "[ . 1]" 3
859 2 25 LEU QB 2 25 LEU HG 2.500 . 3.000 2.279 2.176 2.446 . 0 0 "[ . 1]" 3
860 2 25 LEU QB 2 25 LEU QD 2.500 . 3.000 1.930 1.857 1.973 . 0 0 "[ . 1]" 3
861 2 43 LYS HA 2 43 LYS QB 2.500 . 3.000 2.298 2.260 2.349 . 0 0 "[ . 1]" 3
862 2 43 LYS HA 2 43 LYS QG 3.000 . 3.500 2.512 2.326 2.961 . 0 0 "[ . 1]" 3
863 2 43 LYS HA 2 43 LYS QD 3.000 . 3.500 3.393 2.354 3.510 0.010 8 0 "[ . 1]" 3
864 2 43 LYS HA 2 43 LYS QE 6.000 . 6.500 4.573 4.330 4.674 . 0 0 "[ . 1]" 3
865 2 43 LYS QB 2 43 LYS QD 2.500 . 3.000 2.123 2.105 2.173 . 0 0 "[ . 1]" 3
866 2 43 LYS QB 2 43 LYS QE 4.000 . 4.500 3.522 2.125 3.687 . 0 0 "[ . 1]" 3
867 2 43 LYS QB 2 50 VAL QG 2.500 . 3.000 2.974 2.769 3.010 0.010 5 0 "[ . 1]" 3
868 2 6 PHE HA 2 68 VAL HB 3.000 . 3.500 2.809 2.653 2.931 . 0 0 "[ . 1]" 3
869 2 6 PHE HA 2 68 VAL QG 4.000 . 4.500 3.576 3.300 3.666 . 0 0 "[ . 1]" 3
870 2 6 PHE QB 2 31 LEU QD 3.000 . 3.500 2.040 1.945 2.103 . 0 0 "[ . 1]" 3
871 2 6 PHE QB 2 14 VAL HB 3.000 . 3.500 2.195 2.079 2.303 . 0 0 "[ . 1]" 3
872 2 6 PHE QD 2 16 LEU QB 4.000 . 4.500 2.617 2.337 2.854 . 0 0 "[ . 1]" 3
873 2 6 PHE HA 2 6 PHE QD 3.000 . 3.500 3.039 2.961 3.111 . 0 0 "[ . 1]" 3
874 2 6 PHE QB 2 6 PHE QD 2.500 . 3.000 2.156 2.148 2.171 . 0 0 "[ . 1]" 3
875 2 5 THR HA 2 6 PHE QD 4.000 . 4.500 3.219 2.594 3.602 . 0 0 "[ . 1]" 3
876 2 6 PHE QD 2 31 LEU QD 3.000 . 3.500 2.372 1.988 2.709 . 0 0 "[ . 1]" 3
877 2 6 PHE QD 2 68 VAL HB 3.000 . 3.500 3.023 2.703 3.414 . 0 0 "[ . 1]" 3
878 2 6 PHE QD 2 68 VAL QG 3.000 . 3.500 2.913 2.440 3.288 . 0 0 "[ . 1]" 3
879 2 6 PHE QD 2 16 LEU HG 4.000 . 4.500 3.396 3.029 3.843 . 0 0 "[ . 1]" 3
880 2 6 PHE QD 2 16 LEU QD 4.000 . 4.500 2.451 2.209 2.679 . 0 0 "[ . 1]" 3
881 2 6 PHE QE 2 16 LEU QB 3.000 . 3.500 2.242 2.138 2.326 . 0 0 "[ . 1]" 3
882 2 4 LEU QB 2 6 PHE QE 3.000 . 3.500 2.354 2.154 2.696 . 0 0 "[ . 1]" 3
883 2 6 PHE QE 2 31 LEU QD 3.000 . 3.500 3.416 3.096 3.530 0.030 8 0 "[ . 1]" 3
884 2 4 LEU QD 2 6 PHE QE 4.000 . 4.500 3.200 2.906 3.535 . 0 0 "[ . 1]" 3
885 2 6 PHE QE 2 68 VAL HB 4.000 . 4.500 3.230 2.884 3.646 . 0 0 "[ . 1]" 3
886 2 6 PHE QE 2 68 VAL QG 3.000 . 3.500 2.393 2.046 2.772 . 0 0 "[ . 1]" 3
887 2 6 PHE QE 2 27 THR MG 3.000 . 3.500 2.676 2.015 3.163 . 0 0 "[ . 1]" 3
888 2 6 PHE QE 2 16 LEU HG 5.000 . 5.500 4.389 3.961 4.570 . 0 0 "[ . 1]" 3
889 2 6 PHE QE 2 16 LEU QD 4.000 . 4.500 2.874 2.445 2.979 . 0 0 "[ . 1]" 3
890 2 6 PHE QE 2 18 LEU QD 4.000 . 4.500 2.599 2.498 2.792 . 0 0 "[ . 1]" 3
891 2 51 LEU HA 2 51 LEU HG 4.000 . 4.500 2.796 2.511 2.999 . 0 0 "[ . 1]" 3
892 2 51 LEU HA 2 51 LEU QD 2.500 . 3.000 2.100 2.002 2.232 . 0 0 "[ . 1]" 3
893 2 51 LEU QB 2 51 LEU QD 2.500 . 3.000 1.890 1.870 1.918 . 0 0 "[ . 1]" 3
894 2 24 ILE MG 2 51 LEU QB 3.000 . 3.500 3.053 2.670 3.348 . 0 0 "[ . 1]" 3
895 2 24 ILE MD 2 51 LEU QB 3.000 . 3.500 3.530 3.499 3.550 0.050 3 0 "[ . 1]" 3
896 2 69 VAL HA 2 69 VAL HB 3.000 . 3.500 3.029 3.027 3.031 . 0 0 "[ . 1]" 3
897 2 69 VAL HA 2 69 VAL QG 2.500 . 3.000 2.098 2.033 2.131 . 0 0 "[ . 1]" 3
898 2 75 LYS HA 2 75 LYS QB 2.500 . 3.000 2.346 2.275 2.398 . 0 0 "[ . 1]" 3
899 2 75 LYS HA 2 75 LYS QG 3.000 . 3.500 2.603 2.240 3.156 . 0 0 "[ . 1]" 3
900 2 75 LYS HA 2 75 LYS QD 4.000 . 4.500 3.144 2.083 4.118 . 0 0 "[ . 1]" 3
901 2 75 LYS HA 2 75 LYS QE 4.000 . 4.500 4.342 4.080 4.515 0.015 6 0 "[ . 1]" 3
902 2 75 LYS QB 2 75 LYS QD 2.500 . 3.000 2.236 2.020 2.370 . 0 0 "[ . 1]" 3
903 2 75 LYS QB 2 75 LYS QE 3.000 . 3.500 2.964 2.104 3.546 0.046 6 0 "[ . 1]" 3
904 2 75 LYS QE 2 75 LYS QG 2.500 . 3.000 2.255 2.112 2.829 . 0 0 "[ . 1]" 3
905 2 45 ILE MG 2 50 VAL HA 4.000 . 4.500 2.289 2.227 2.362 . 0 0 "[ . 1]" 3
906 2 45 ILE QG 2 50 VAL HA 3.000 . 3.500 2.505 2.430 2.640 . 0 0 "[ . 1]" 3
907 2 45 ILE MD 2 50 VAL HA 4.000 . 4.500 4.129 4.073 4.228 . 0 0 "[ . 1]" 3
908 2 50 VAL HA 2 50 VAL HB 3.000 . 3.500 2.433 2.357 2.515 . 0 0 "[ . 1]" 3
909 2 50 VAL HA 2 50 VAL QG 2.500 . 3.000 2.287 2.259 2.371 . 0 0 "[ . 1]" 3
910 2 52 GLN HA 2 52 GLN QB 2.500 . 3.000 2.217 2.182 2.315 . 0 0 "[ . 1]" 3
911 2 52 GLN HA 2 52 GLN QG 3.000 . 3.500 3.028 2.752 3.288 . 0 0 "[ . 1]" 3
912 2 52 GLN QB 2 55 LYS QG 2.500 . 3.000 2.239 2.083 2.553 . 0 0 "[ . 1]" 3
913 2 52 GLN QG 2 55 LYS QG 4.000 . 4.500 2.539 2.238 3.011 . 0 0 "[ . 1]" 3
914 2 59 GLU HA 2 59 GLU QB 2.500 . 3.000 2.427 2.418 2.435 . 0 0 "[ . 1]" 3
915 2 77 SER HA 2 77 SER QB 2.500 . 3.000 2.295 2.185 2.401 . 0 0 "[ . 1]" 3
916 2 29 THR HA 2 29 THR MG 2.500 . 3.000 2.159 2.150 2.188 . 0 0 "[ . 1]" 3
917 2 67 GLN HA 2 67 GLN QB 2.500 . 3.000 2.250 2.182 2.355 . 0 0 "[ . 1]" 3
918 2 67 GLN HA 2 67 GLN QG 3.000 . 3.500 2.917 2.310 3.412 . 0 0 "[ . 1]" 3
919 2 5 THR HB 2 67 GLN HA 3.000 . 3.500 2.580 2.279 2.997 . 0 0 "[ . 1]" 3
920 2 5 THR MG 2 67 GLN HA 4.000 . 4.500 3.410 3.262 3.476 . 0 0 "[ . 1]" 3
921 2 67 GLN HA 2 68 VAL QG 4.000 . 4.500 3.348 3.166 3.427 . 0 0 "[ . 1]" 3
922 2 5 THR HB 2 67 GLN QG 4.000 . 4.500 3.823 2.720 4.525 0.025 7 0 "[ . 1]" 3
923 2 64 ASP HA 2 64 ASP QB 2.500 . 3.000 2.183 2.178 2.187 . 0 0 "[ . 1]" 3
924 2 2 VAL HB 2 64 ASP HA 4.000 . 4.500 2.015 1.862 2.118 . 0 0 "[ . 1]" 3
925 2 2 VAL QG 2 64 ASP HA 3.000 . 3.500 2.789 2.086 2.962 . 0 0 "[ . 1]" 3
926 2 2 VAL HB 2 64 ASP QB 3.000 . 3.500 3.003 2.774 3.408 . 0 0 "[ . 1]" 3
927 2 2 VAL QG 2 64 ASP QB 3.000 . 3.500 3.347 2.128 3.516 0.016 8 0 "[ . 1]" 3
928 2 38 GLU HA 2 38 GLU QB 2.500 . 3.000 2.489 2.184 2.527 . 0 0 "[ . 1]" 3
929 2 38 GLU HA 2 38 GLU QG 3.000 . 3.500 2.251 2.130 3.281 . 0 0 "[ . 1]" 3
930 2 37 CYS HA 2 37 CYS QB 2.500 . 3.000 2.338 2.320 2.356 . 0 0 "[ . 1]" 3
931 2 37 CYS QB 2 72 VAL QG 3.000 . 3.500 2.181 2.040 2.491 . 0 0 "[ . 1]" 3
932 2 78 THR HA 2 78 THR HB 2.500 . 3.000 2.673 2.385 3.014 0.014 7 0 "[ . 1]" 3
933 2 78 THR HA 2 78 THR MG 3.000 . 3.500 2.397 2.241 3.194 . 0 0 "[ . 1]" 3
934 2 5 THR HA 2 15 PRO HA 2.500 . 3.000 2.267 2.236 2.318 . 0 0 "[ . 1]" 3
935 2 5 THR HA 2 15 PRO QB 4.000 . 4.500 4.012 3.911 4.199 . 0 0 "[ . 1]" 3
936 2 5 THR HA 2 5 THR MG 2.500 . 3.000 2.575 2.501 2.687 . 0 0 "[ . 1]" 3
937 2 60 CYS HA 2 60 CYS QB 2.500 . 3.000 2.393 2.300 2.474 . 0 0 "[ . 1]" 3
938 2 57 VAL HA 2 60 CYS QB 4.000 . 4.500 2.236 2.168 2.318 . 0 0 "[ . 1]" 3
939 2 60 CYS QB 2 62 LEU HG 2.500 . 3.000 2.628 2.327 2.985 . 0 0 "[ . 1]" 3
940 2 60 CYS QB 2 62 LEU QD 2.500 . 3.000 2.233 2.139 2.429 . 0 0 "[ . 1]" 3
941 2 36 SER HA 2 36 SER QB 2.500 . 3.000 2.370 2.169 2.482 . 0 0 "[ . 1]" 3
942 2 34 SER HA 2 34 SER QB 2.500 . 3.000 2.367 2.284 2.424 . 0 0 "[ . 1]" 3
943 2 31 LEU HA 2 34 SER QB 2.500 . 3.000 2.776 2.628 2.929 . 0 0 "[ . 1]" 3
944 2 31 LEU QD 2 34 SER QB 3.000 . 3.500 2.986 2.828 3.097 . 0 0 "[ . 1]" 3
945 2 14 VAL QG 2 34 SER QB 3.000 . 3.500 2.729 2.591 2.881 . 0 0 "[ . 1]" 3
946 2 16 LEU QD 2 34 SER QB 3.000 . 3.500 3.184 2.918 3.498 . 0 0 "[ . 1]" 3
947 2 33 GLN HA 2 33 GLN QB 2.500 . 3.000 2.411 2.362 2.432 . 0 0 "[ . 1]" 3
948 2 33 GLN HA 2 33 GLN QG 3.000 . 3.500 2.417 2.257 2.771 . 0 0 "[ . 1]" 3
949 2 30 LYS HA 2 33 GLN QB 3.000 . 3.500 2.327 2.304 2.349 . 0 0 "[ . 1]" 3
950 2 29 THR MG 2 33 GLN QG 4.000 . 4.500 3.148 2.839 3.436 . 0 0 "[ . 1]" 3
951 2 27 THR HA 2 30 LYS QB 4.000 . 4.500 2.843 2.743 2.920 . 0 0 "[ . 1]" 3
952 2 27 THR HA 2 27 THR MG 2.500 . 3.000 3.031 3.020 3.049 0.049 3 0 "[ . 1]" 3
953 2 18 LEU QD 2 27 THR HA 4.000 . 4.500 2.484 2.313 2.616 . 0 0 "[ . 1]" 3
954 2 13 LYS HA 2 13 LYS QB 2.500 . 3.000 2.225 2.168 2.350 . 0 0 "[ . 1]" 3
955 2 13 LYS HA 2 13 LYS QG 3.000 . 3.500 3.065 2.307 3.391 . 0 0 "[ . 1]" 3
956 2 13 LYS HA 2 13 LYS QD 3.000 . 3.500 3.410 3.356 3.489 . 0 0 "[ . 1]" 3
957 2 13 LYS HA 2 13 LYS QE 6.000 . 6.500 4.607 4.347 5.313 . 0 0 "[ . 1]" 3
958 2 13 LYS HA 2 14 VAL QG 4.000 . 4.500 3.425 3.294 3.542 . 0 0 "[ . 1]" 3
959 2 13 LYS QB 2 13 LYS QD 2.500 . 3.000 2.215 2.072 2.277 . 0 0 "[ . 1]" 3
960 2 13 LYS QB 2 13 LYS QE 3.000 . 3.500 2.750 2.229 3.513 0.013 6 0 "[ . 1]" 3
961 2 5 THR MG 2 13 LYS QB 2.500 . 3.000 1.890 1.817 1.977 . 0 0 "[ . 1]" 3
962 2 13 LYS QE 2 13 LYS QG 3.000 . 3.500 2.269 2.128 2.440 . 0 0 "[ . 1]" 3
963 2 31 LEU HA 2 31 LEU QB 2.500 . 3.000 2.370 2.362 2.380 . 0 0 "[ . 1]" 3
964 2 31 LEU HA 2 31 LEU HG 4.000 . 4.500 3.075 3.009 3.180 . 0 0 "[ . 1]" 3
965 2 31 LEU HA 2 31 LEU QD 2.500 . 3.000 1.991 1.916 2.041 . 0 0 "[ . 1]" 3
966 2 16 LEU QD 2 31 LEU HA 2.500 . 3.000 2.241 2.154 2.372 . 0 0 "[ . 1]" 3
967 2 31 LEU QB 2 31 LEU HG 2.500 . 3.000 2.347 2.312 2.369 . 0 0 "[ . 1]" 3
968 2 31 LEU QB 2 31 LEU QD 2.500 . 3.000 1.921 1.901 1.936 . 0 0 "[ . 1]" 3
969 2 16 LEU QD 2 31 LEU QB 3.000 . 3.500 2.216 2.051 2.389 . 0 0 "[ . 1]" 3
970 2 17 ASP HA 2 17 ASP QB 2.500 . 3.000 2.258 2.181 2.339 . 0 0 "[ . 1]" 3
971 2 66 ASP HA 2 66 ASP QB 2.500 . 3.000 2.514 2.500 2.524 . 0 0 "[ . 1]" 3
972 2 4 LEU QD 2 66 ASP HA 4.000 . 4.500 3.311 3.286 3.339 . 0 0 "[ . 1]" 3
973 2 4 LEU QD 2 66 ASP QB 2.500 . 3.000 1.829 1.791 1.881 0.009 8 0 "[ . 1]" 3
974 2 62 LEU QD 2 66 ASP QB 3.000 . 3.500 2.577 2.415 2.632 . 0 0 "[ . 1]" 3
975 2 53 ASP HA 2 53 ASP QB 2.500 . 3.000 2.355 2.337 2.374 . 0 0 "[ . 1]" 3
976 2 24 ILE HB 2 53 ASP HA 2.500 . 3.000 2.284 2.062 2.611 . 0 0 "[ . 1]" 3
977 2 24 ILE MG 2 53 ASP HA 2.500 . 3.000 2.319 2.179 2.509 . 0 0 "[ . 1]" 3
978 2 25 LEU QD 2 53 ASP QB 3.000 . 3.500 3.484 3.362 3.519 0.019 8 0 "[ . 1]" 3
979 2 22 ASN HA 2 22 ASN QB 2.500 . 3.000 2.409 2.398 2.426 . 0 0 "[ . 1]" 3
980 2 22 ASN HA 2 57 VAL QG 5.000 . 5.500 5.209 4.829 5.547 0.047 2 0 "[ . 1]" 3
981 2 22 ASN QB 2 57 VAL QG 4.000 . 4.500 3.226 3.009 3.382 . 0 0 "[ . 1]" 3
982 2 12 GLU HA 2 12 GLU QB 2.500 . 3.000 2.366 2.337 2.497 . 0 0 "[ . 1]" 3
983 2 12 GLU HA 2 12 GLU QG 2.500 . 3.000 2.555 2.307 2.727 . 0 0 "[ . 1]" 3
984 2 26 GLU HA 2 26 GLU QB 2.500 . 3.000 2.408 2.374 2.452 . 0 0 "[ . 1]" 3
985 2 26 GLU HA 2 26 GLU QG 2.500 . 3.000 2.391 2.200 2.687 . 0 0 "[ . 1]" 3
986 2 26 GLU HA 2 29 THR HB 3.000 . 3.500 3.122 2.891 3.232 . 0 0 "[ . 1]" 3
987 2 26 GLU HA 2 29 THR MG 4.000 . 4.500 3.910 3.790 3.962 . 0 0 "[ . 1]" 3
988 2 49 LYS HA 2 49 LYS QB 2.500 . 3.000 2.401 2.351 2.441 . 0 0 "[ . 1]" 3
989 2 49 LYS HA 2 49 LYS QG 3.000 . 3.500 2.507 2.226 2.959 . 0 0 "[ . 1]" 3
990 2 49 LYS HA 2 49 LYS QD 4.000 . 4.500 2.739 1.980 4.048 . 0 0 "[ . 1]" 3
991 2 49 LYS QB 2 49 LYS QD 2.500 . 3.000 2.246 2.157 2.845 . 0 0 "[ . 1]" 3
992 2 30 LYS HA 2 30 LYS QB 2.500 . 3.000 2.391 2.374 2.403 . 0 0 "[ . 1]" 3
993 2 30 LYS HA 2 30 LYS QG 3.000 . 3.500 2.641 2.554 2.695 . 0 0 "[ . 1]" 3
994 2 30 LYS HA 2 30 LYS QD 4.000 . 4.500 2.211 2.159 2.275 . 0 0 "[ . 1]" 3
995 2 30 LYS HA 2 30 LYS QE 5.000 . 5.500 4.084 3.939 4.278 . 0 0 "[ . 1]" 3
996 2 29 THR MG 2 30 LYS HA 4.000 . 4.500 4.404 4.139 4.504 0.004 4 0 "[ . 1]" 3
997 2 30 LYS QB 2 30 LYS QD 2.500 . 3.000 2.160 2.147 2.174 . 0 0 "[ . 1]" 3
998 2 16 LEU QD 2 30 LYS QB 3.000 . 3.500 2.673 2.490 2.841 . 0 0 "[ . 1]" 3
999 2 16 LEU QD 2 30 LYS QG 2.500 . 3.000 1.914 1.842 2.041 . 0 0 "[ . 1]" 3
1000 2 30 LYS QB 2 30 LYS QE 4.000 . 4.500 3.639 3.478 3.783 . 0 0 "[ . 1]" 3
1001 2 30 LYS QE 2 30 LYS QG 2.500 . 3.000 2.238 2.119 2.367 . 0 0 "[ . 1]" 3
1002 2 16 LEU QD 2 30 LYS QE 4.000 . 4.500 3.070 2.852 3.353 . 0 0 "[ . 1]" 3
1003 2 8 ASN HA 2 8 ASN QB 2.500 . 3.000 2.185 2.177 2.190 . 0 0 "[ . 1]" 3
1004 2 8 ASN HA 2 69 VAL QG 4.000 . 4.500 4.340 4.132 4.515 0.015 1 0 "[ . 1]" 3
1005 2 42 ILE HA 2 42 ILE MG 3.000 . 3.500 2.832 2.813 2.858 . 0 0 "[ . 1]" 3
1006 2 42 ILE HA 2 42 ILE QG 2.500 . 3.000 2.126 2.112 2.136 . 0 0 "[ . 1]" 3
1007 2 42 ILE HA 2 42 ILE MD 4.000 . 4.500 3.659 3.649 3.667 . 0 0 "[ . 1]" 3
1008 2 42 ILE HA 2 72 VAL QG 3.000 . 3.500 2.968 2.775 3.274 . 0 0 "[ . 1]" 3
1009 2 41 GLN HA 2 41 GLN QB 2.500 . 3.000 2.161 2.159 2.170 . 0 0 "[ . 1]" 3
1010 2 41 GLN HA 2 41 GLN QG 2.500 . 3.000 3.086 3.052 3.194 0.194 8 0 "[ . 1]" 3
1011 2 41 GLN HA 2 72 VAL QG 5.000 . 5.500 5.270 5.070 5.339 . 0 0 "[ . 1]" 3
1012 2 41 GLN QB 2 72 VAL QG 3.000 . 3.500 3.206 3.125 3.295 . 0 0 "[ . 1]" 3
1013 2 10 LYS HA 2 10 LYS QB 2.500 . 3.000 2.399 2.194 2.436 . 0 0 "[ . 1]" 3
1014 2 10 LYS HA 2 10 LYS QG 3.000 . 3.500 2.399 2.264 3.300 . 0 0 "[ . 1]" 3
1015 2 10 LYS HA 2 10 LYS QD 4.000 . 4.500 4.148 4.097 4.493 . 0 0 "[ . 1]" 3
1016 2 10 LYS QB 2 10 LYS QD 2.500 . 3.000 2.209 2.185 2.322 . 0 0 "[ . 1]" 3
1017 2 10 LYS QB 2 10 LYS QE 4.000 . 4.500 2.259 2.215 2.387 . 0 0 "[ . 1]" 3
1018 2 10 LYS HA 2 10 LYS QE 6.000 . 6.500 3.915 3.793 4.117 . 0 0 "[ . 1]" 3
1019 2 62 LEU HA 2 62 LEU QB 2.500 . 3.000 2.388 2.375 2.403 . 0 0 "[ . 1]" 3
1020 2 4 LEU QD 2 62 LEU HA 4.000 . 4.500 3.707 3.512 3.916 . 0 0 "[ . 1]" 3
1021 2 62 LEU HA 2 62 LEU HG 3.000 . 3.500 2.673 2.624 2.773 . 0 0 "[ . 1]" 3
1022 2 62 LEU HA 2 62 LEU QD 2.500 . 3.000 2.131 2.073 2.189 . 0 0 "[ . 1]" 3
1023 2 57 VAL QG 2 62 LEU HA 4.000 . 4.500 4.113 3.737 4.314 . 0 0 "[ . 1]" 3
1024 2 60 CYS QB 2 62 LEU QB 4.000 . 4.500 3.352 3.263 3.410 . 0 0 "[ . 1]" 3
1025 2 62 LEU QB 2 62 LEU HG 2.500 . 3.000 2.455 2.422 2.469 . 0 0 "[ . 1]" 3
1026 2 62 LEU QB 2 62 LEU QD 2.500 . 3.000 1.896 1.868 1.912 . 0 0 "[ . 1]" 3
1027 2 57 VAL QG 2 62 LEU QB 2.500 . 3.000 1.768 1.751 1.780 0.049 1 0 "[ . 1]" 3
1028 2 35 ILE HA 2 35 ILE HB 2.500 . 3.000 2.450 2.447 2.459 . 0 0 "[ . 1]" 3
1029 2 35 ILE HA 2 35 ILE MG 2.500 . 3.000 2.290 2.277 2.296 . 0 0 "[ . 1]" 3
1030 2 35 ILE HA 2 35 ILE MD 4.000 . 4.500 4.108 4.106 4.112 . 0 0 "[ . 1]" 3
1031 2 40 SER HA 2 40 SER QB 2.500 . 3.000 2.307 2.185 2.423 . 0 0 "[ . 1]" 3
1032 2 11 LYS HA 2 11 LYS QB 2.500 . 3.000 2.382 2.317 2.426 . 0 0 "[ . 1]" 3
1033 2 11 LYS HA 2 11 LYS QG 2.500 . 3.000 2.546 2.147 3.009 0.009 9 0 "[ . 1]" 3
1034 2 11 LYS HA 2 11 LYS QD 4.000 . 4.500 2.936 2.082 3.812 . 0 0 "[ . 1]" 3
1035 2 11 LYS HA 2 11 LYS QE 6.000 . 6.500 4.210 2.314 4.854 . 0 0 "[ . 1]" 3
1036 2 11 LYS QB 2 11 LYS QD 2.500 . 3.000 2.190 1.944 2.825 . 0 0 "[ . 1]" 3
1037 2 9 PHE HA 2 9 PHE QB 2.500 . 3.000 2.419 2.332 2.532 . 0 0 "[ . 1]" 3
1038 2 9 PHE HA 2 9 PHE QD 4.000 . 4.500 2.619 2.106 2.991 . 0 0 "[ . 1]" 3
1039 2 76 LYS HA 2 76 LYS QB 2.500 . 3.000 2.354 2.296 2.424 . 0 0 "[ . 1]" 3
1040 2 76 LYS HA 2 76 LYS QD 4.000 . 4.500 3.933 3.817 4.200 . 0 0 "[ . 1]" 3
1041 2 76 LYS HA 2 76 LYS QE 6.000 . 6.500 4.580 4.047 5.005 . 0 0 "[ . 1]" 3
1042 2 76 LYS QB 2 76 LYS QD 2.500 . 3.000 2.211 2.125 2.330 . 0 0 "[ . 1]" 3
1043 2 47 SER HA 2 47 SER QB 2.500 . 3.000 2.352 2.165 2.434 . 0 0 "[ . 1]" 3
1044 2 57 VAL HA 2 62 LEU QD 3.000 . 3.500 2.549 2.270 2.751 . 0 0 "[ . 1]" 3
1045 2 57 VAL HA 2 57 VAL HB 3.000 . 3.500 3.004 2.978 3.015 . 0 0 "[ . 1]" 3
1046 2 57 VAL HA 2 57 VAL QG 2.500 . 3.000 2.062 2.035 2.085 . 0 0 "[ . 1]" 3
1047 2 24 ILE MD 2 57 VAL HA 3.000 . 3.500 3.372 3.113 3.551 0.051 6 0 "[ . 1]" 3
1048 2 55 LYS HA 2 55 LYS QG 2.500 . 3.000 2.608 2.199 2.870 . 0 0 "[ . 1]" 3
1049 2 55 LYS QE 2 55 LYS QG 3.000 . 3.500 2.254 2.113 2.604 . 0 0 "[ . 1]" 3
1050 2 15 PRO HA 2 15 PRO QD 4.000 . 4.500 3.096 3.083 3.120 . 0 0 "[ . 1]" 3
1051 2 5 THR MG 2 15 PRO HA 4.000 . 4.500 3.956 3.670 4.124 . 0 0 "[ . 1]" 3
1052 2 15 PRO QB 2 15 PRO QD 3.000 . 3.500 2.927 2.921 2.940 . 0 0 "[ . 1]" 3
1053 2 14 VAL QG 2 15 PRO QD 3.000 . 3.500 3.160 3.121 3.212 . 0 0 "[ . 1]" 3
1054 2 20 PRO HA 2 20 PRO QG 3.000 . 3.500 3.420 3.418 3.421 . 0 0 "[ . 1]" 3
1055 2 2 VAL QG 2 20 PRO HA 4.000 . 4.500 4.139 4.037 4.211 . 0 0 "[ . 1]" 3
1056 2 20 PRO HA 2 57 VAL HB 2.500 . 3.000 2.819 2.586 2.994 . 0 0 "[ . 1]" 3
1057 2 20 PRO HA 2 57 VAL QG 2.500 . 3.000 2.785 2.381 3.006 0.006 8 0 "[ . 1]" 3
1058 2 20 PRO QB 2 20 PRO QD 3.000 . 3.500 2.933 2.931 2.937 . 0 0 "[ . 1]" 3
1059 2 2 VAL QG 2 20 PRO QB 4.000 . 4.500 4.524 4.509 4.542 0.042 1 0 "[ . 1]" 3
1060 2 2 VAL QG 2 20 PRO QG 4.000 . 4.500 4.088 4.011 4.167 . 0 0 "[ . 1]" 3
1061 2 2 VAL QG 2 20 PRO QD 3.000 . 3.500 2.634 2.520 2.909 . 0 0 "[ . 1]" 3
1062 2 35 ILE HB 2 35 ILE MD 3.000 . 3.500 2.461 2.424 2.498 . 0 0 "[ . 1]" 3
1063 2 35 ILE QG 2 35 ILE MG 2.500 . 3.000 2.379 2.354 2.398 . 0 0 "[ . 1]" 3
1064 2 35 ILE MD 2 35 ILE MG 2.500 . 3.000 1.876 1.851 1.908 . 0 0 "[ . 1]" 3
1065 2 14 VAL QG 2 35 ILE MG 2.500 . 3.000 2.298 2.204 2.396 . 0 0 "[ . 1]" 3
1066 2 31 LEU QD 2 35 ILE MD 3.000 . 3.500 2.779 2.679 2.897 . 0 0 "[ . 1]" 3
1067 2 14 VAL QG 2 35 ILE MD 3.000 . 3.500 3.511 3.506 3.515 0.015 6 0 "[ . 1]" 3
1068 2 31 LEU QD 2 35 ILE MG 3.000 . 3.500 2.557 2.456 2.687 . 0 0 "[ . 1]" 3
1069 2 31 LEU QD 2 42 ILE MG 4.000 . 4.500 2.842 2.670 3.126 . 0 0 "[ . 1]" 3
1070 2 31 LEU QD 2 42 ILE MD 3.000 . 3.500 2.632 2.345 2.927 . 0 0 "[ . 1]" 3
1071 2 31 LEU QD 2 44 LEU QD 3.000 . 3.500 1.924 1.827 2.029 . 0 0 "[ . 1]" 3
1072 2 14 VAL HB 2 31 LEU QD 3.000 . 3.500 2.539 2.462 2.614 . 0 0 "[ . 1]" 3
1073 2 14 VAL QG 2 31 LEU QD 2.500 . 3.000 2.015 1.916 2.052 . 0 0 "[ . 1]" 3
1074 2 16 LEU QD 2 31 LEU QD 2.500 . 3.000 1.912 1.872 1.950 . 0 0 "[ . 1]" 3
1075 2 23 THR HB 2 56 THR HB 3.000 . 3.500 3.567 3.533 3.606 0.106 2 0 "[ . 1]" 3
1076 2 23 THR HB 2 56 THR MG 4.000 . 4.500 3.155 2.256 4.128 . 0 0 "[ . 1]" 3
1077 2 22 ASN HA 2 23 THR MG 4.000 . 4.500 3.142 3.042 3.246 . 0 0 "[ . 1]" 3
1078 2 23 THR MG 2 56 THR HB 4.000 . 4.500 3.071 2.198 4.043 . 0 0 "[ . 1]" 3
1079 2 42 ILE HB 2 42 ILE MD 3.000 . 3.500 2.222 2.194 2.243 . 0 0 "[ . 1]" 3
1080 2 42 ILE QG 2 42 ILE MG 2.500 . 3.000 2.237 2.216 2.252 . 0 0 "[ . 1]" 3
1081 2 42 ILE MD 2 42 ILE MG 2.500 . 3.000 1.960 1.918 2.031 . 0 0 "[ . 1]" 3
1082 2 42 ILE MG 2 44 LEU QD 4.000 . 4.500 2.366 2.070 2.697 . 0 0 "[ . 1]" 3
1083 2 42 ILE MG 2 72 VAL QG 4.000 . 4.500 3.927 3.745 4.366 . 0 0 "[ . 1]" 3
1084 2 42 ILE HB 2 42 ILE QG 2.500 . 3.000 2.432 2.427 2.436 . 0 0 "[ . 1]" 3
1085 2 42 ILE QG 2 72 VAL QG 3.000 . 3.500 2.027 1.878 2.419 . 0 0 "[ . 1]" 3
1086 2 42 ILE MD 2 44 LEU QD 3.000 . 3.500 3.534 3.507 3.549 0.049 5 0 "[ . 1]" 3
1087 2 42 ILE MD 2 72 VAL QG 3.000 . 3.500 2.842 2.585 3.166 . 0 0 "[ . 1]" 3
1088 2 24 ILE MD 2 44 LEU QD 4.000 . 4.500 2.904 2.502 3.660 . 0 0 "[ . 1]" 3
1089 2 45 ILE HB 2 45 ILE QG 2.500 . 3.000 2.477 2.467 2.488 . 0 0 "[ . 1]" 3
1090 2 45 ILE HB 2 45 ILE MD 3.000 . 3.500 2.177 2.140 2.214 . 0 0 "[ . 1]" 3
1091 2 45 ILE HB 2 69 VAL HB 2.500 . 3.000 2.067 1.952 2.246 . 0 0 "[ . 1]" 3
1092 2 45 ILE HB 2 69 VAL QG 3.000 . 3.500 2.530 2.266 2.709 . 0 0 "[ . 1]" 3
1093 2 45 ILE QG 2 45 ILE MG 2.500 . 3.000 2.013 1.970 2.064 . 0 0 "[ . 1]" 3
1094 2 45 ILE MD 2 45 ILE MG 2.500 . 3.000 2.323 2.251 2.384 . 0 0 "[ . 1]" 3
1095 2 45 ILE MG 2 69 VAL HB 4.000 . 4.500 2.921 2.825 2.982 . 0 0 "[ . 1]" 3
1096 2 45 ILE MD 2 69 VAL HB 4.000 . 4.500 3.215 3.023 3.440 . 0 0 "[ . 1]" 3
1097 2 4 LEU QD 2 18 LEU QB 3.000 . 3.500 3.038 2.547 3.295 . 0 0 "[ . 1]" 3
1098 2 4 LEU QD 2 68 VAL QG 2.500 . 3.000 2.197 1.941 2.544 . 0 0 "[ . 1]" 3
1099 2 4 LEU QD 2 62 LEU HG 4.000 . 4.500 3.843 3.756 4.055 . 0 0 "[ . 1]" 3
1100 2 4 LEU QD 2 62 LEU QD 3.000 . 3.500 1.803 1.746 1.960 0.054 9 0 "[ . 1]" 3
1101 2 4 LEU QD 2 18 LEU QD 2.500 . 3.000 2.236 2.073 2.355 . 0 0 "[ . 1]" 3
1102 2 5 THR MG 2 13 LYS HA 4.000 . 4.500 2.624 2.491 2.866 . 0 0 "[ . 1]" 3
1103 2 6 PHE HZ 2 27 THR MG 2.500 . 3.000 2.976 2.793 3.018 0.018 5 0 "[ . 1]" 3
1104 2 6 PHE HZ 2 16 LEU QD 5.000 . 5.500 3.754 3.348 4.054 . 0 0 "[ . 1]" 3
1105 2 6 PHE HZ 2 18 LEU QD 4.000 . 4.500 2.663 2.273 2.974 . 0 0 "[ . 1]" 3
1106 2 69 VAL QG 2 70 PHE HA 4.000 . 4.500 3.459 3.416 3.572 . 0 0 "[ . 1]" 3
1107 2 51 LEU QD 2 68 VAL QG 2.500 . 3.000 2.224 2.070 2.548 . 0 0 "[ . 1]" 3
1108 2 62 LEU QD 2 68 VAL QG 2.500 . 3.000 1.780 1.760 1.807 0.040 3 0 "[ . 1]" 3
1109 2 51 LEU QB 2 51 LEU HG 2.500 . 3.000 2.416 2.362 2.484 . 0 0 "[ . 1]" 3
1110 2 44 LEU QB 2 51 LEU QD 4.000 . 4.500 3.061 2.758 3.312 . 0 0 "[ . 1]" 3
1111 2 46 TYR HA 2 51 LEU QD 4.000 . 4.500 3.427 3.319 3.559 . 0 0 "[ . 1]" 3
1112 2 44 LEU QD 2 51 LEU QD 2.500 . 3.000 2.307 2.072 2.679 . 0 0 "[ . 1]" 3
1113 2 24 ILE MD 2 51 LEU QD 2.500 . 3.000 2.645 2.525 2.813 . 0 0 "[ . 1]" 3
1114 2 57 VAL QG 2 62 LEU HG 3.000 . 3.500 3.590 3.570 3.613 0.113 3 0 "[ . 1]" 3
1115 2 57 VAL QG 2 62 LEU QD 2.500 . 3.000 2.103 1.933 2.221 . 0 0 "[ . 1]" 3
1116 2 24 ILE MG 2 27 THR HB 4.000 . 4.500 4.172 3.980 4.348 . 0 0 "[ . 1]" 3
1117 2 24 ILE MD 2 27 THR HB 4.000 . 4.500 2.987 2.933 3.040 . 0 0 "[ . 1]" 3
1118 2 24 ILE MG 2 27 THR MG 2.500 . 3.000 2.454 2.279 2.618 . 0 0 "[ . 1]" 3
1119 2 24 ILE QG 2 27 THR MG 4.000 . 4.500 3.572 3.388 3.775 . 0 0 "[ . 1]" 3
1120 2 16 LEU QD 2 27 THR MG 3.000 . 3.500 3.537 3.524 3.553 0.053 8 0 "[ . 1]" 3
1121 2 24 ILE HB 2 24 ILE QG 2.500 . 3.000 2.173 2.168 2.182 . 0 0 "[ . 1]" 3
1122 2 24 ILE QG 2 24 ILE MG 2.500 . 3.000 2.024 1.952 2.070 . 0 0 "[ . 1]" 3
1123 2 24 ILE MD 2 24 ILE MG 2.500 . 3.000 2.800 2.632 2.950 . 0 0 "[ . 1]" 3
1124 2 16 LEU QD 2 18 LEU QD 3.000 . 3.500 2.940 2.857 3.035 . 0 0 "[ . 1]" 3
1125 1 19 SER H 1 20 LYS H 3.000 . 3.500 2.898 2.009 3.502 0.002 6 0 "[ . 1]" 3
1126 1 19 SER H 1 21 ASN H 5.000 . 5.500 5.036 4.331 5.502 0.002 10 0 "[ . 1]" 3
1127 1 19 SER HA 1 20 LYS H 4.000 . 4.500 2.940 2.177 3.575 . 0 0 "[ . 1]" 3
1128 1 20 LYS H 1 21 ASN H 3.000 . 3.500 3.081 2.430 3.502 0.002 7 0 "[ . 1]" 3
1129 1 21 ASN H 1 22 ASP H 4.000 . 4.500 4.476 4.399 4.516 0.016 7 0 "[ . 1]" 3
1130 1 21 ASN H 1 24 VAL H 5.000 . 5.500 4.254 3.266 5.222 . 0 0 "[ . 1]" 3
1131 1 21 ASN HA 1 22 ASP H 4.000 . 4.500 2.445 2.156 2.763 . 0 0 "[ . 1]" 3
1132 1 21 ASN QB 1 22 ASP H 5.000 . 5.500 2.445 1.828 3.193 . 0 0 "[ . 1]" 3
1133 1 21 ASN HA 1 23 GLU H 5.000 . 5.500 3.864 3.500 4.150 . 0 0 "[ . 1]" 3
1134 1 22 ASP H 1 23 GLU H 4.000 . 4.500 2.711 2.327 2.992 . 0 0 "[ . 1]" 3
1135 1 22 ASP H 1 24 VAL H 5.000 . 5.500 4.838 4.234 5.501 0.001 8 0 "[ . 1]" 3
1136 1 22 ASP HA 1 23 GLU H 4.000 . 4.500 3.165 2.947 3.295 . 0 0 "[ . 1]" 3
1137 1 22 ASP QB 1 23 GLU H 5.000 . 5.500 3.628 3.356 3.943 . 0 0 "[ . 1]" 3
1138 1 22 ASP HA 1 24 VAL H 5.000 . 5.500 4.376 3.683 4.634 . 0 0 "[ . 1]" 3
1139 1 22 ASP HA 1 25 LEU H 4.000 . 4.500 3.746 3.607 3.945 . 0 0 "[ . 1]" 3
1140 1 23 GLU H 1 24 VAL H 4.000 . 4.500 2.387 2.244 2.595 . 0 0 "[ . 1]" 3
1141 1 23 GLU H 1 25 LEU H 5.000 . 5.500 4.019 3.675 4.516 . 0 0 "[ . 1]" 3
1142 1 23 GLU H 1 26 GLY H 5.000 . 5.500 4.414 4.142 4.565 . 0 0 "[ . 1]" 3
1143 1 23 GLU H 1 24 VAL HB 5.000 . 5.500 4.363 4.289 4.611 . 0 0 "[ . 1]" 3
1144 1 23 GLU H 1 24 VAL MG1 5.000 . 5.500 5.522 5.514 5.542 0.042 6 0 "[ . 1]" 3
1145 1 23 GLU H 1 24 VAL MG2 5.000 . 5.500 3.949 3.297 4.540 . 0 0 "[ . 1]" 3
1146 1 23 GLU HA 1 24 VAL H 4.000 . 4.500 3.547 3.452 3.572 . 0 0 "[ . 1]" 3
1147 1 23 GLU QB 1 24 VAL H 5.000 . 5.500 2.507 2.157 3.399 . 0 0 "[ . 1]" 3
1148 1 23 GLU HA 1 26 GLY H 5.000 . 5.500 3.306 2.985 3.721 . 0 0 "[ . 1]" 3
1149 1 23 GLU HA 1 27 LEU H 5.000 . 5.500 4.468 3.779 4.722 . 0 0 "[ . 1]" 3
1150 1 24 VAL H 1 25 LEU H 3.000 . 3.500 2.882 2.708 3.088 . 0 0 "[ . 1]" 3
1151 1 24 VAL H 1 26 GLY H 5.000 . 5.500 4.096 3.402 4.400 . 0 0 "[ . 1]" 3
1152 1 24 VAL H 1 27 LEU H 5.000 . 5.500 5.135 4.604 5.329 . 0 0 "[ . 1]" 3
1153 1 24 VAL HA 1 25 LEU H 4.000 . 4.500 3.551 3.513 3.575 . 0 0 "[ . 1]" 3
1154 1 24 VAL HB 1 25 LEU H 5.000 . 5.500 2.534 2.293 2.754 . 0 0 "[ . 1]" 3
1155 1 24 VAL MG1 1 25 LEU H 5.000 . 5.500 3.094 2.401 3.842 . 0 0 "[ . 1]" 3
1156 1 24 VAL MG2 1 25 LEU H 5.000 . 5.500 3.855 3.620 3.963 . 0 0 "[ . 1]" 3
1157 1 24 VAL MG1 1 27 LEU H 5.000 . 5.500 4.749 4.372 5.075 . 0 0 "[ . 1]" 3
1158 1 24 VAL HA 1 27 LEU H 5.000 . 5.500 4.085 3.806 4.379 . 0 0 "[ . 1]" 3
1159 1 24 VAL HA 1 28 LEU H 5.000 . 5.500 4.124 3.866 4.455 . 0 0 "[ . 1]" 3
1160 1 25 LEU H 1 26 GLY H 3.000 . 3.500 2.511 2.334 2.688 . 0 0 "[ . 1]" 3
1161 1 25 LEU H 1 27 LEU H 5.000 . 5.500 3.994 3.752 4.579 . 0 0 "[ . 1]" 3
1162 1 25 LEU H 1 25 LEU HG 5.000 . 5.500 2.578 1.795 4.432 0.005 2 0 "[ . 1]" 3
1163 1 25 LEU H 1 25 LEU MD1 5.000 . 5.500 3.422 2.104 4.072 . 0 0 "[ . 1]" 3
1164 1 25 LEU H 1 25 LEU MD2 5.000 . 5.500 3.360 2.693 4.346 . 0 0 "[ . 1]" 3
1165 1 25 LEU H 1 49 LEU MD1 5.000 . 5.500 5.483 5.397 5.506 0.006 1 0 "[ . 1]" 3
1166 1 25 LEU H 1 49 LEU MD2 5.000 . 5.500 5.191 4.450 5.508 0.008 1 0 "[ . 1]" 3
1167 1 25 LEU H 1 53 PHE QE 5.000 . 5.500 4.668 3.412 5.492 . 0 0 "[ . 1]" 3
1168 1 25 LEU H 1 53 PHE HZ 5.000 . 5.500 4.549 4.015 5.471 . 0 0 "[ . 1]" 3
1169 1 25 LEU HA 1 26 GLY H 4.000 . 4.500 3.530 3.430 3.566 . 0 0 "[ . 1]" 3
1170 1 25 LEU QB 1 26 GLY H 5.000 . 5.500 2.602 2.319 3.040 . 0 0 "[ . 1]" 3
1171 1 25 LEU HG 1 26 GLY H 5.000 . 5.500 4.046 3.680 4.926 . 0 0 "[ . 1]" 3
1172 1 25 LEU MD1 1 26 GLY H 5.000 . 5.500 4.456 4.038 4.854 . 0 0 "[ . 1]" 3
1173 1 25 LEU MD2 1 26 GLY H 5.000 . 5.500 4.434 3.835 4.678 . 0 0 "[ . 1]" 3
1174 1 25 LEU HA 1 28 LEU H 4.000 . 4.500 3.222 2.826 3.628 . 0 0 "[ . 1]" 3
1175 1 25 LEU HA 1 29 LEU H 5.000 . 5.500 2.955 2.497 3.582 . 0 0 "[ . 1]" 3
1176 1 26 GLY H 1 27 LEU H 3.000 . 3.500 2.758 2.601 2.896 . 0 0 "[ . 1]" 3
1177 1 26 GLY H 1 28 LEU H 5.000 . 5.500 4.314 3.626 4.797 . 0 0 "[ . 1]" 3
1178 1 26 GLY QA 1 27 LEU H 4.000 . 4.500 2.866 2.638 2.926 . 0 0 "[ . 1]" 3
1179 1 27 LEU H 1 28 LEU H 3.000 . 3.500 2.085 1.897 2.339 . 0 0 "[ . 1]" 3
1180 1 27 LEU H 1 29 LEU H 5.000 . 5.500 3.845 3.064 4.598 . 0 0 "[ . 1]" 3
1181 1 27 LEU H 1 27 LEU HG 5.000 . 5.500 3.612 2.336 4.475 . 0 0 "[ . 1]" 3
1182 1 27 LEU H 1 27 LEU MD1 5.000 . 5.500 3.646 2.740 4.311 . 0 0 "[ . 1]" 3
1183 1 27 LEU H 1 27 LEU MD2 5.000 . 5.500 3.789 1.992 4.548 . 0 0 "[ . 1]" 3
1184 1 27 LEU HA 1 28 LEU H 4.000 . 4.500 3.537 3.489 3.572 . 0 0 "[ . 1]" 3
1185 1 27 LEU HA 1 29 LEU H 5.000 . 5.500 5.069 4.311 5.297 . 0 0 "[ . 1]" 3
1186 1 27 LEU HA 1 31 ILE H 5.000 . 5.500 4.324 4.153 4.460 . 0 0 "[ . 1]" 3
1187 1 28 LEU H 1 29 LEU H 3.000 . 3.500 2.827 2.634 2.920 . 0 0 "[ . 1]" 3
1188 1 28 LEU H 1 28 LEU HG 5.000 . 5.500 4.054 2.150 4.607 . 0 0 "[ . 1]" 3
1189 1 28 LEU H 1 28 LEU MD1 5.000 . 5.500 3.436 2.045 4.257 . 0 0 "[ . 1]" 3
1190 1 28 LEU H 1 28 LEU MD2 5.000 . 5.500 3.893 3.475 4.324 . 0 0 "[ . 1]" 3
1191 1 28 LEU HA 1 29 LEU H 4.000 . 4.500 3.569 3.513 3.578 . 0 0 "[ . 1]" 3
1192 1 28 LEU MD1 1 29 LEU H 5.000 . 5.500 4.016 3.133 4.866 . 0 0 "[ . 1]" 3
1193 1 28 LEU MD2 1 29 LEU H 5.000 . 5.500 4.100 3.007 4.541 . 0 0 "[ . 1]" 3
1194 1 28 LEU HA 1 31 ILE H 4.000 . 4.500 3.748 3.617 3.930 . 0 0 "[ . 1]" 3
1195 1 28 LEU HA 1 32 ALA H 5.000 . 5.500 3.792 3.407 4.500 . 0 0 "[ . 1]" 3
1196 1 29 LEU H 1 31 ILE H 5.000 . 5.500 4.499 4.258 4.659 . 0 0 "[ . 1]" 3
1197 1 29 LEU H 1 32 ALA H 5.000 . 5.500 4.796 4.551 4.940 . 0 0 "[ . 1]" 3
1198 1 29 LEU H 1 29 LEU HG 5.000 . 5.500 3.960 2.957 4.497 . 0 0 "[ . 1]" 3
1199 1 29 LEU H 1 29 LEU MD1 5.000 . 5.500 2.697 2.006 4.078 . 0 0 "[ . 1]" 3
1200 1 29 LEU H 1 29 LEU MD2 5.000 . 5.500 3.989 3.804 4.325 . 0 0 "[ . 1]" 3
1201 1 29 LEU H 1 49 LEU QD 5.000 . 5.500 3.679 3.023 4.239 . 0 0 "[ . 1]" 3
1202 1 29 LEU HA 1 31 ILE H 5.000 . 5.500 4.666 4.425 4.834 . 0 0 "[ . 1]" 3
1203 1 29 LEU HA 1 32 ALA H 4.000 . 4.500 3.870 3.376 4.243 . 0 0 "[ . 1]" 3
1204 1 29 LEU HA 1 33 ALA H 5.000 . 5.500 3.914 2.998 5.281 . 0 0 "[ . 1]" 3
1205 1 29 LEU MD1 1 61 ILE H 5.000 . 5.500 4.895 3.953 5.262 . 0 0 "[ . 1]" 3
1206 1 29 LEU MD2 1 61 ILE H 5.000 . 5.500 4.380 3.979 4.877 . 0 0 "[ . 1]" 3
1207 1 29 LEU MD1 1 64 SER H 5.000 . 5.500 4.438 3.439 4.750 . 0 0 "[ . 1]" 3
1208 1 29 LEU MD2 1 64 SER H 5.000 . 5.500 3.714 3.132 4.100 . 0 0 "[ . 1]" 3
1209 1 29 LEU MD1 1 65 ILE H 5.000 . 5.500 4.894 4.016 5.499 . 0 0 "[ . 1]" 3
1210 1 29 LEU MD2 1 65 ILE H 5.000 . 5.500 5.026 3.920 5.501 0.001 8 0 "[ . 1]" 3
1211 1 29 LEU H 1 30 PRO QD 4.000 . 4.500 2.283 1.905 2.393 . 0 0 "[ . 1]" 3
1212 1 30 PRO HA 1 31 ILE H 4.000 . 4.500 3.573 3.561 3.579 . 0 0 "[ . 1]" 3
1213 1 30 PRO HA 1 32 ALA H 5.000 . 5.500 4.892 4.038 5.501 0.001 4 0 "[ . 1]" 3
1214 1 31 ILE H 1 32 ALA H 3.000 . 3.500 2.795 2.487 2.974 . 0 0 "[ . 1]" 3
1215 1 31 ILE H 1 33 ALA H 5.000 . 5.500 4.139 3.547 4.656 . 0 0 "[ . 1]" 3
1216 1 31 ILE H 1 31 ILE MD 5.000 . 5.500 3.372 3.315 3.434 . 0 0 "[ . 1]" 3
1217 1 31 ILE HA 1 32 ALA H 4.000 . 4.500 3.535 3.461 3.574 . 0 0 "[ . 1]" 3
1218 1 31 ILE HB 1 32 ALA H 5.000 . 5.500 2.426 2.044 3.004 . 0 0 "[ . 1]" 3
1219 1 31 ILE QG 1 32 ALA H 5.000 . 5.500 4.020 3.923 4.189 . 0 0 "[ . 1]" 3
1220 1 31 ILE MD 1 32 ALA H 5.000 . 5.500 4.254 3.958 4.674 . 0 0 "[ . 1]" 3
1221 1 31 ILE MG 1 32 ALA H 5.000 . 5.500 3.110 2.671 3.801 . 0 0 "[ . 1]" 3
1222 1 32 ALA H 1 33 ALA H 4.000 . 4.500 2.787 2.399 3.209 . 0 0 "[ . 1]" 3
1223 1 32 ALA H 1 34 SER H 5.000 . 5.500 4.826 4.207 5.468 . 0 0 "[ . 1]" 3
1224 1 32 ALA HA 1 33 ALA H 4.000 . 4.500 3.451 3.193 3.576 . 0 0 "[ . 1]" 3
1225 1 31 ILE H 1 32 ALA MB 5.000 . 5.500 4.379 4.202 4.474 . 0 0 "[ . 1]" 3
1226 1 33 ALA H 1 34 SER H 4.000 . 4.500 3.083 2.333 3.831 . 0 0 "[ . 1]" 3
1227 1 33 ALA HA 1 34 SER H 4.000 . 4.500 2.674 2.439 2.861 . 0 0 "[ . 1]" 3
1228 1 33 ALA MB 1 34 SER H 5.000 . 5.500 3.707 3.662 3.727 . 0 0 "[ . 1]" 3
1229 1 33 ALA MB 1 64 SER H 5.000 . 5.500 5.360 4.784 5.505 0.005 2 0 "[ . 1]" 3
1230 1 34 SER H 1 35 THR H 3.000 . 3.500 2.810 2.314 3.501 0.001 10 0 "[ . 1]" 3
1231 1 34 SER HA 1 35 THR H 4.000 . 4.500 3.500 3.359 3.575 . 0 0 "[ . 1]" 3
1232 1 34 SER QB 1 35 THR H 5.000 . 5.500 2.455 1.842 3.110 . 0 0 "[ . 1]" 3
1233 1 35 THR H 1 36 ASP H 3.000 . 3.500 2.631 1.801 3.457 . 0 0 "[ . 1]" 3
1234 1 35 THR HA 1 36 ASP H 4.000 . 4.500 3.357 2.478 3.575 . 0 0 "[ . 1]" 3
1235 1 36 ASP H 1 37 LEU H 4.000 . 4.500 2.767 1.798 3.722 0.002 3 0 "[ . 1]" 3
1236 1 36 ASP HA 1 37 LEU H 4.000 . 4.500 3.113 2.557 3.527 . 0 0 "[ . 1]" 3
1237 1 36 ASP QB 1 37 LEU H 5.000 . 5.500 2.902 1.804 4.024 . 0 0 "[ . 1]" 3
1238 1 37 LEU H 1 37 LEU HG 5.000 . 5.500 2.543 1.798 4.213 0.002 3 0 "[ . 1]" 3
1239 1 37 LEU H 1 37 LEU MD1 5.000 . 5.500 3.636 3.238 4.269 . 0 0 "[ . 1]" 3
1240 1 37 LEU H 1 37 LEU MD2 5.000 . 5.500 2.824 1.799 3.986 0.001 10 0 "[ . 1]" 3
1241 1 34 SER H 1 37 LEU HG 5.000 . 5.500 4.108 2.318 4.574 . 0 0 "[ . 1]" 3
1242 1 34 SER H 1 37 LEU MD1 5.000 . 5.500 3.318 2.665 4.211 . 0 0 "[ . 1]" 3
1243 1 34 SER H 1 37 LEU MD2 5.000 . 5.500 5.102 3.200 5.488 . 0 0 "[ . 1]" 3
1244 1 36 ASP H 1 37 LEU HG 5.000 . 5.500 3.376 2.271 5.500 . 0 0 "[ . 1]" 3
1245 1 36 ASP H 1 37 LEU MD1 5.000 . 5.500 4.472 3.688 5.427 . 0 0 "[ . 1]" 3
1246 1 36 ASP H 1 37 LEU MD2 5.000 . 5.500 3.897 2.655 4.635 . 0 0 "[ . 1]" 3
1247 1 38 PRO HA 1 39 ILE H 5.000 . 5.500 2.342 2.168 2.839 . 0 0 "[ . 1]" 3
1248 1 39 ILE H 1 40 GLU H 4.000 . 4.500 2.751 2.448 3.010 . 0 0 "[ . 1]" 3
1249 1 39 ILE H 1 41 THR H 5.000 . 5.500 5.065 4.144 5.501 0.001 7 0 "[ . 1]" 3
1250 1 39 ILE H 1 42 ALA H 5.000 . 5.500 5.064 4.734 5.336 . 0 0 "[ . 1]" 3
1251 1 39 ILE H 1 39 ILE MD 5.000 . 5.500 3.729 3.325 4.394 . 0 0 "[ . 1]" 3
1252 1 41 THR H 1 42 ALA H 4.000 . 4.500 2.499 1.891 2.898 . 0 0 "[ . 1]" 3
1253 1 41 THR H 1 43 ALA H 5.000 . 5.500 4.392 3.380 4.960 . 0 0 "[ . 1]" 3
1254 1 41 THR HA 1 42 ALA H 4.000 . 4.500 3.503 3.248 3.573 . 0 0 "[ . 1]" 3
1255 1 41 THR MG 1 42 ALA H 5.000 . 5.500 3.349 1.841 3.940 . 0 0 "[ . 1]" 3
1256 1 42 ALA H 1 43 ALA H 4.000 . 4.500 2.916 2.696 3.057 . 0 0 "[ . 1]" 3
1257 1 42 ALA HA 1 43 ALA H 4.000 . 4.500 3.563 3.488 3.575 . 0 0 "[ . 1]" 3
1258 1 42 ALA MB 1 43 ALA H 5.000 . 5.500 2.228 1.910 2.777 . 0 0 "[ . 1]" 3
1259 1 55 GLY H 1 56 THR H 4.000 . 4.500 2.936 2.556 3.227 . 0 0 "[ . 1]" 3
1260 1 56 THR H 1 57 CYS H 4.000 . 4.500 4.485 4.394 4.505 0.005 8 0 "[ . 1]" 3
1261 1 56 THR HA 1 57 CYS H 4.000 . 4.500 2.641 2.159 2.723 . 0 0 "[ . 1]" 3
1262 1 56 THR MG 1 57 CYS H 5.000 . 5.500 3.276 2.651 3.810 . 0 0 "[ . 1]" 3
1263 1 57 CYS H 1 58 ASN H 4.000 . 4.500 4.251 3.296 4.418 . 0 0 "[ . 1]" 3
1264 1 57 CYS HA 1 58 ASN H 4.000 . 4.500 2.467 2.277 2.709 . 0 0 "[ . 1]" 3
1265 1 58 ASN HA 1 59 GLY H 4.000 . 4.500 2.367 2.181 2.471 . 0 0 "[ . 1]" 3
1266 1 59 GLY H 1 60 ASP H 4.000 . 4.500 2.565 2.450 2.650 . 0 0 "[ . 1]" 3
1267 1 59 GLY QA 1 60 ASP H 3.000 . 3.500 2.667 2.605 2.889 . 0 0 "[ . 1]" 3
1268 1 59 GLY QA 1 62 THR H 5.000 . 5.500 3.225 3.015 3.492 . 0 0 "[ . 1]" 3
1269 1 59 GLY QA 1 63 THR H 5.000 . 5.500 4.106 3.899 4.429 . 0 0 "[ . 1]" 3
1270 1 60 ASP QB 1 61 ILE H 5.000 . 5.500 2.562 2.380 2.792 . 0 0 "[ . 1]" 3
1271 1 60 ASP H 1 61 ILE H 4.000 . 4.500 2.869 2.442 2.987 . 0 0 "[ . 1]" 3
1272 1 60 ASP H 1 62 THR H 5.000 . 5.500 4.342 4.023 4.766 . 0 0 "[ . 1]" 3
1273 1 60 ASP H 1 63 THR H 5.000 . 5.500 4.715 4.542 4.894 . 0 0 "[ . 1]" 3
1274 1 60 ASP HA 1 61 ILE H 4.000 . 4.500 3.540 3.500 3.566 . 0 0 "[ . 1]" 3
1275 1 60 ASP HA 1 63 THR H 4.000 . 4.500 3.354 3.163 3.569 . 0 0 "[ . 1]" 3
1276 1 60 ASP HA 1 64 SER H 5.000 . 5.500 4.321 4.106 4.541 . 0 0 "[ . 1]" 3
1277 1 61 ILE H 1 61 ILE HB 4.000 . 4.500 2.527 2.401 2.675 . 0 0 "[ . 1]" 3
1278 1 61 ILE H 1 61 ILE MD 5.000 . 5.500 3.412 3.351 3.508 . 0 0 "[ . 1]" 3
1279 1 61 ILE H 1 62 THR H 5.000 . 5.500 2.707 2.534 2.983 . 0 0 "[ . 1]" 3
1280 1 61 ILE H 1 63 THR H 5.000 . 5.500 3.869 3.670 4.135 . 0 0 "[ . 1]" 3
1281 1 61 ILE H 1 64 SER H 5.000 . 5.500 5.139 4.969 5.304 . 0 0 "[ . 1]" 3
1282 1 61 ILE HA 1 64 SER H 4.000 . 4.500 3.839 3.471 4.027 . 0 0 "[ . 1]" 3
1283 1 61 ILE HA 1 65 ILE H 4.000 . 4.500 4.327 4.171 4.404 . 0 0 "[ . 1]" 3
1284 1 62 THR H 1 62 THR HB 4.000 . 4.500 2.586 2.422 2.740 . 0 0 "[ . 1]" 3
1285 1 62 THR H 1 63 THR H 4.000 . 4.500 2.499 2.373 2.677 . 0 0 "[ . 1]" 3
1286 1 62 THR HA 1 63 THR H 4.000 . 4.500 3.445 3.375 3.540 . 0 0 "[ . 1]" 3
1287 1 62 THR HB 1 63 THR H 4.000 . 4.500 3.042 2.605 3.302 . 0 0 "[ . 1]" 3
1288 1 62 THR MG 1 63 THR H 5.000 . 5.500 3.874 3.619 4.106 . 0 0 "[ . 1]" 3
1289 1 62 THR MG 1 66 MET H 5.000 . 5.500 3.702 3.323 3.891 . 0 0 "[ . 1]" 3
1290 1 62 THR HA 1 64 SER H 5.000 . 5.500 4.633 4.597 4.671 . 0 0 "[ . 1]" 3
1291 1 62 THR HA 1 65 ILE H 4.000 . 4.500 3.460 3.400 3.520 . 0 0 "[ . 1]" 3
1292 1 62 THR HA 1 65 ILE HB 4.000 . 4.500 2.324 2.303 2.388 . 0 0 "[ . 1]" 3
1293 1 62 THR HA 1 66 MET H 4.000 . 4.500 3.710 3.162 3.985 . 0 0 "[ . 1]" 3
1294 1 63 THR H 1 63 THR HB 4.000 . 4.500 2.856 2.573 3.590 . 0 0 "[ . 1]" 3
1295 1 63 THR H 1 64 SER H 4.000 . 4.500 2.721 2.591 2.933 . 0 0 "[ . 1]" 3
1296 1 63 THR H 1 65 ILE H 5.000 . 5.500 3.916 3.658 4.225 . 0 0 "[ . 1]" 3
1297 1 63 THR HA 1 64 SER H 4.000 . 4.500 3.570 3.566 3.574 . 0 0 "[ . 1]" 3
1298 1 63 THR HB 1 64 SER H 4.000 . 4.500 2.507 2.247 3.419 . 0 0 "[ . 1]" 3
1299 1 63 THR MG 1 64 SER H 5.000 . 5.500 3.561 3.348 3.878 . 0 0 "[ . 1]" 3
1300 1 63 THR HA 1 65 ILE H 5.000 . 5.500 4.560 4.339 4.717 . 0 0 "[ . 1]" 3
1301 1 63 THR HA 1 66 MET H 4.000 . 4.500 3.677 3.519 3.995 . 0 0 "[ . 1]" 3
1302 1 63 THR HA 1 67 ASP H 4.000 . 4.500 4.208 3.763 4.503 0.003 9 0 "[ . 1]" 3
1303 1 64 SER H 1 65 ILE H 4.000 . 4.500 2.605 2.486 2.731 . 0 0 "[ . 1]" 3
1304 1 64 SER H 1 66 MET H 5.000 . 5.500 4.076 3.939 4.357 . 0 0 "[ . 1]" 3
1305 1 64 SER H 1 67 ASP H 5.000 . 5.500 5.033 4.830 5.257 . 0 0 "[ . 1]" 3
1306 1 64 SER HA 1 65 ILE H 4.000 . 4.500 3.534 3.494 3.558 . 0 0 "[ . 1]" 3
1307 1 64 SER HA 1 68 ASN H 5.000 . 5.500 4.435 4.221 4.579 . 0 0 "[ . 1]" 3
1308 1 65 ILE H 1 65 ILE HB 4.000 . 4.500 2.132 2.114 2.153 . 0 0 "[ . 1]" 3
1309 1 65 ILE H 1 65 ILE MD 5.000 . 5.500 3.662 3.594 3.734 . 0 0 "[ . 1]" 3
1310 1 62 THR H 1 65 ILE MG 5.000 . 5.500 5.497 5.462 5.507 0.007 8 0 "[ . 1]" 3
1311 1 63 THR H 1 65 ILE MG 5.000 . 5.500 5.507 5.503 5.511 0.011 4 0 "[ . 1]" 3
1312 1 64 SER H 1 65 ILE HB 5.000 . 5.500 4.440 4.369 4.525 . 0 0 "[ . 1]" 3
1313 1 64 SER H 1 65 ILE MG 5.000 . 5.500 5.507 5.504 5.512 0.012 6 0 "[ . 1]" 3
1314 1 64 SER H 1 65 ILE MD 5.000 . 5.500 5.423 5.328 5.502 0.002 5 0 "[ . 1]" 3
1315 1 65 ILE HB 1 66 MET H 5.000 . 5.500 2.947 2.613 3.110 . 0 0 "[ . 1]" 3
1316 1 65 ILE MG 1 66 MET H 5.000 . 5.500 2.764 2.408 3.042 . 0 0 "[ . 1]" 3
1317 1 65 ILE MD 1 66 MET H 5.000 . 5.500 4.727 4.434 4.857 . 0 0 "[ . 1]" 3
1318 1 65 ILE H 1 66 MET H 4.000 . 4.500 2.633 2.433 2.738 . 0 0 "[ . 1]" 3
1319 1 65 ILE H 1 67 ASP H 5.000 . 5.500 4.516 4.192 4.824 . 0 0 "[ . 1]" 3
1320 1 65 ILE HA 1 66 MET H 4.000 . 4.500 3.525 3.497 3.572 . 0 0 "[ . 1]" 3
1321 1 65 ILE HA 1 68 ASN H 4.000 . 4.500 3.659 3.474 3.774 . 0 0 "[ . 1]" 3
1322 1 65 ILE HA 1 69 PHE H 4.000 . 4.500 4.479 4.383 4.507 0.007 1 0 "[ . 1]" 3
1323 1 66 MET H 1 67 ASP H 3.000 . 3.500 2.837 2.703 3.009 . 0 0 "[ . 1]" 3
1324 1 66 MET H 1 68 ASN H 5.000 . 5.500 4.072 3.738 4.365 . 0 0 "[ . 1]" 3
1325 1 66 MET H 1 69 PHE H 5.000 . 5.500 4.741 4.514 4.999 . 0 0 "[ . 1]" 3
1326 1 66 MET HA 1 67 ASP H 4.000 . 4.500 3.573 3.562 3.576 . 0 0 "[ . 1]" 3
1327 1 66 MET QB 1 67 ASP H 5.000 . 5.500 2.229 2.010 2.438 . 0 0 "[ . 1]" 3
1328 1 66 MET QG 1 67 ASP H 5.000 . 5.500 3.370 2.844 4.184 . 0 0 "[ . 1]" 3
1329 1 66 MET HA 1 68 ASN H 5.000 . 5.500 4.259 3.923 4.597 . 0 0 "[ . 1]" 3
1330 1 66 MET HA 1 69 PHE H 4.000 . 4.500 3.308 3.141 3.534 . 0 0 "[ . 1]" 3
1331 1 67 ASP H 1 68 ASN H 4.000 . 4.500 2.866 2.718 2.968 . 0 0 "[ . 1]" 3
1332 1 67 ASP HA 1 68 ASN H 4.000 . 4.500 3.535 3.489 3.567 . 0 0 "[ . 1]" 3
1333 1 67 ASP QB 1 68 ASN H 5.000 . 5.500 2.588 2.384 2.839 . 0 0 "[ . 1]" 3
1334 1 68 ASN H 1 69 PHE H 3.000 . 3.500 2.636 2.456 2.859 . 0 0 "[ . 1]" 3
1335 1 68 ASN HA 1 69 PHE H 4.000 . 4.500 3.523 3.388 3.567 . 0 0 "[ . 1]" 3
1336 1 68 ASN HA 1 71 GLU H 4.000 . 4.500 3.487 3.274 3.892 . 0 0 "[ . 1]" 3
1337 1 73 THR H 1 73 THR HB 4.000 . 4.500 3.546 2.895 4.060 . 0 0 "[ . 1]" 3
1338 1 73 THR H 1 74 ALA H 5.000 . 5.500 3.107 2.040 4.564 . 0 0 "[ . 1]" 3
1339 1 73 THR HA 1 74 ALA H 4.000 . 4.500 3.190 2.226 3.501 . 0 0 "[ . 1]" 3
1340 1 73 THR HB 1 74 ALA H 5.000 . 5.500 3.199 1.785 4.416 0.015 4 0 "[ . 1]" 3
1341 1 73 THR MG 1 74 ALA H 5.000 . 5.500 3.998 3.474 4.315 . 0 0 "[ . 1]" 3
1342 1 73 THR HA 1 75 ILE H 4.000 . 4.500 3.666 2.974 4.194 . 0 0 "[ . 1]" 3
1343 1 73 THR HB 1 75 ILE H 5.000 . 5.500 2.888 2.070 3.831 . 0 0 "[ . 1]" 3
1344 1 74 ALA H 1 75 ILE H 4.000 . 4.500 2.766 2.710 2.887 . 0 0 "[ . 1]" 3
1345 1 74 ALA H 1 76 GLU H 5.000 . 5.500 4.132 3.789 4.774 . 0 0 "[ . 1]" 3
1346 1 74 ALA HA 1 75 ILE H 4.000 . 4.500 3.116 2.973 3.233 . 0 0 "[ . 1]" 3
1347 1 74 ALA MB 1 75 ILE H 5.000 . 5.500 3.447 3.324 3.569 . 0 0 "[ . 1]" 3
1348 1 74 ALA MB 1 76 GLU H 5.000 . 5.500 4.504 4.304 4.813 . 0 0 "[ . 1]" 3
1349 1 74 ALA MB 1 77 LEU H 5.000 . 5.500 4.905 4.460 5.467 . 0 0 "[ . 1]" 3
1350 1 75 ILE H 1 76 GLU H 4.000 . 4.500 2.393 2.144 2.695 . 0 0 "[ . 1]" 3
1351 1 75 ILE H 1 77 LEU H 5.000 . 5.500 4.673 4.116 5.502 0.002 5 0 "[ . 1]" 3
1352 1 75 ILE H 1 75 ILE HB 4.000 . 4.500 2.224 2.055 2.415 . 0 0 "[ . 1]" 3
1353 1 75 ILE H 1 75 ILE MD 5.000 . 5.500 3.397 2.913 3.794 . 0 0 "[ . 1]" 3
1354 1 75 ILE HA 1 76 GLU H 4.000 . 4.500 3.420 3.241 3.497 . 0 0 "[ . 1]" 3
1355 1 75 ILE HB 1 76 GLU H 4.000 . 4.500 3.689 3.214 4.131 . 0 0 "[ . 1]" 3
1356 1 75 ILE MG 1 76 GLU H 5.000 . 5.500 2.574 2.212 2.977 . 0 0 "[ . 1]" 3
1357 1 75 ILE MD 1 76 GLU H 5.000 . 5.500 4.747 4.426 4.982 . 0 0 "[ . 1]" 3
1358 1 74 ALA H 1 75 ILE MG 5.000 . 5.500 4.971 4.695 5.418 . 0 0 "[ . 1]" 3
1359 1 74 ALA H 1 75 ILE MD 5.000 . 5.500 5.267 4.740 5.522 0.022 9 0 "[ . 1]" 3
1360 1 73 THR H 1 75 ILE MG 5.000 . 5.500 4.992 3.939 5.548 0.048 9 0 "[ . 1]" 3
1361 1 73 THR H 1 75 ILE MD 5.000 . 5.500 5.309 3.461 5.534 0.034 7 0 "[ . 1]" 3
1362 1 75 ILE H 1 76 GLU QG 5.000 . 5.500 3.646 3.300 4.228 . 0 0 "[ . 1]" 3
1363 1 76 GLU H 1 77 LEU H 4.000 . 4.500 2.722 2.134 3.294 . 0 0 "[ . 1]" 3
1364 1 76 GLU HA 1 77 LEU H 4.000 . 4.500 3.549 3.496 3.576 . 0 0 "[ . 1]" 3
1365 1 77 LEU H 1 78 LYS H 4.000 . 4.500 4.126 3.117 4.503 0.003 1 0 "[ . 1]" 3
1366 1 77 LEU HA 1 78 LYS H 4.000 . 4.500 2.612 2.152 3.240 . 0 0 "[ . 1]" 3
1367 1 77 LEU H 1 77 LEU MD1 5.000 . 5.500 3.530 1.843 4.935 . 0 0 "[ . 1]" 3
1368 1 77 LEU H 1 77 LEU MD2 5.000 . 5.500 3.528 2.065 4.860 . 0 0 "[ . 1]" 3
1369 1 89 LEU H 1 89 LEU HG 5.000 . 5.500 3.736 1.834 4.502 . 0 0 "[ . 1]" 3
1370 1 89 LEU H 1 89 LEU MD1 5.000 . 5.500 3.669 3.162 4.178 . 0 0 "[ . 1]" 3
1371 1 89 LEU H 1 89 LEU MD2 5.000 . 5.500 3.912 3.010 4.357 . 0 0 "[ . 1]" 3
1372 1 92 LEU H 1 92 LEU MD1 5.000 . 5.500 3.995 3.945 4.012 . 0 0 "[ . 1]" 3
1373 1 92 LEU H 1 92 LEU MD2 5.000 . 5.500 4.306 4.300 4.313 . 0 0 "[ . 1]" 3
1374 1 93 TYR H 1 94 MET H 4.000 . 4.500 3.914 2.363 4.501 0.001 9 0 "[ . 1]" 3
1375 1 97 GLY H 1 98 GLU H 4.000 . 4.500 2.721 1.797 4.491 0.003 8 0 "[ . 1]" 3
1376 1 98 GLU H 1 99 GLN H 3.000 . 3.500 2.934 2.539 3.644 0.144 10 0 "[ . 1]" 3
1377 1 98 GLU H 1 100 VAL H 5.000 . 5.500 4.337 3.283 5.191 . 0 0 "[ . 1]" 3
1378 1 98 GLU H 1 101 ASP H 5.000 . 5.500 5.044 3.945 5.469 . 0 0 "[ . 1]" 3
1379 1 98 GLU H 1 127 TYR QD 5.000 . 5.500 4.948 3.090 5.499 . 0 0 "[ . 1]" 3
1380 1 98 GLU H 1 127 TYR QE 5.000 . 5.500 3.909 3.025 4.755 . 0 0 "[ . 1]" 3
1381 1 98 GLU HA 1 99 GLN H 4.000 . 4.500 3.368 2.977 3.577 . 0 0 "[ . 1]" 3
1382 1 98 GLU QB 1 99 GLN H 5.000 . 5.500 2.845 1.952 3.752 . 0 0 "[ . 1]" 3
1383 1 98 GLU HA 1 101 ASP H 5.000 . 5.500 3.209 2.962 3.447 . 0 0 "[ . 1]" 3
1384 1 99 GLN H 1 100 VAL H 3.000 . 3.500 2.865 2.706 3.022 . 0 0 "[ . 1]" 3
1385 1 99 GLN H 1 101 ASP H 4.000 . 4.500 4.342 3.892 4.640 0.140 10 0 "[ . 1]" 3
1386 1 99 GLN H 1 102 ASP H 5.000 . 5.500 5.070 4.957 5.172 . 0 0 "[ . 1]" 3
1387 1 99 GLN HA 1 100 VAL H 4.000 . 4.500 3.512 3.438 3.574 . 0 0 "[ . 1]" 3
1388 1 99 GLN HA 1 101 ASP H 5.000 . 5.500 4.398 4.138 4.568 . 0 0 "[ . 1]" 3
1389 1 99 GLN HA 1 102 ASP H 4.000 . 4.500 3.575 3.338 3.823 . 0 0 "[ . 1]" 3
1390 1 100 VAL H 1 101 ASP H 3.000 . 3.500 2.653 2.495 2.972 . 0 0 "[ . 1]" 3
1391 1 100 VAL HA 1 101 ASP H 4.000 . 4.500 3.544 3.510 3.565 . 0 0 "[ . 1]" 3
1392 1 100 VAL HB 1 101 ASP H 5.000 . 5.500 2.594 2.412 2.805 . 0 0 "[ . 1]" 3
1393 1 100 VAL MG1 1 101 ASP H 5.000 . 5.500 3.426 3.224 3.617 . 0 0 "[ . 1]" 3
1394 1 100 VAL MG2 1 101 ASP H 5.000 . 5.500 3.828 3.710 3.933 . 0 0 "[ . 1]" 3
1395 1 100 VAL MG1 1 104 LEU H 5.000 . 5.500 3.445 3.136 3.776 . 0 0 "[ . 1]" 3
1396 1 100 VAL MG2 1 104 LEU H 5.000 . 5.500 5.290 4.943 5.508 0.008 9 0 "[ . 1]" 3
1397 1 100 VAL HA 1 104 LEU H 5.000 . 5.500 3.888 3.572 4.257 . 0 0 "[ . 1]" 3
1398 1 101 ASP H 1 102 ASP H 3.000 . 3.500 2.763 2.601 3.056 . 0 0 "[ . 1]" 3
1399 1 101 ASP H 1 103 VAL H 5.000 . 5.500 4.104 3.879 4.294 . 0 0 "[ . 1]" 3
1400 1 101 ASP H 1 104 LEU H 5.000 . 5.500 5.240 5.056 5.458 . 0 0 "[ . 1]" 3
1401 1 101 ASP HA 1 102 ASP H 5.000 . 5.500 3.535 3.496 3.573 . 0 0 "[ . 1]" 3
1402 1 101 ASP HA 1 104 LEU H 5.000 . 5.500 4.198 4.044 4.437 . 0 0 "[ . 1]" 3
1403 1 102 ASP H 1 103 VAL H 3.000 . 3.500 2.591 2.507 2.888 . 0 0 "[ . 1]" 3
1404 1 102 ASP H 1 104 LEU H 5.000 . 5.500 4.906 4.647 5.240 . 0 0 "[ . 1]" 3
1405 1 102 ASP QB 1 103 VAL H 5.000 . 5.500 2.699 2.586 2.829 . 0 0 "[ . 1]" 3
1406 1 103 VAL H 1 104 LEU H 3.000 . 3.500 3.008 2.924 3.108 . 0 0 "[ . 1]" 3
1407 1 103 VAL MG1 1 104 LEU H 5.000 . 5.500 2.606 2.365 2.728 . 0 0 "[ . 1]" 3
1408 1 103 VAL MG2 1 104 LEU H 5.000 . 5.500 3.650 3.572 3.702 . 0 0 "[ . 1]" 3
1409 1 103 VAL HA 1 104 LEU H 4.000 . 4.500 3.561 3.546 3.571 . 0 0 "[ . 1]" 3
1410 1 103 VAL HB 1 104 LEU H 5.000 . 5.500 1.986 1.858 2.065 . 0 0 "[ . 1]" 3
1411 1 104 LEU HA 1 105 GLU H 4.000 . 4.500 3.508 3.459 3.559 . 0 0 "[ . 1]" 3
1412 1 104 LEU H 1 104 LEU HG 5.000 . 5.500 2.540 1.793 3.736 0.007 6 0 "[ . 1]" 3
1413 1 104 LEU H 1 104 LEU MD1 5.000 . 5.500 2.833 1.799 3.542 0.001 7 0 "[ . 1]" 3
1414 1 104 LEU H 1 104 LEU MD2 5.000 . 5.500 2.970 2.164 3.763 . 0 0 "[ . 1]" 3
1415 1 104 LEU H 1 105 GLU H 4.000 . 4.500 2.893 2.811 2.996 . 0 0 "[ . 1]" 3
1416 1 109 ALA H 1 110 ILE H 4.000 . 4.500 3.073 2.800 3.314 . 0 0 "[ . 1]" 3
1417 1 110 ILE H 1 110 ILE QG 4.000 . 4.500 1.798 1.789 1.837 0.011 9 0 "[ . 1]" 3
1418 1 110 ILE H 1 110 ILE MD 5.000 . 5.500 3.075 2.135 3.557 . 0 0 "[ . 1]" 3
1419 1 3 LYS HA 1 3 LYS QD 4.000 . 4.500 3.895 2.277 4.263 . 0 0 "[ . 1]" 3
1420 1 3 LYS HA 1 3 LYS QE 5.000 . 5.500 4.556 3.675 5.506 0.006 9 0 "[ . 1]" 3
1421 1 7 ALA MB 1 8 ALA MB 5.000 . 5.500 3.734 3.661 3.836 . 0 0 "[ . 1]" 3
1422 1 8 ALA MB 1 9 ILE MD 5.000 . 5.500 2.682 2.420 4.085 . 0 0 "[ . 1]" 3
1423 1 8 ALA MB 1 12 LEU MD2 4.000 . 4.500 3.876 3.212 4.432 . 0 0 "[ . 1]" 3
1424 1 9 ILE HB 1 9 ILE MD 3.000 . 3.500 3.099 2.251 3.195 . 0 0 "[ . 1]" 3
1425 1 9 ILE HA 1 12 LEU QB 5.000 . 5.500 2.884 2.448 3.531 . 0 0 "[ . 1]" 3
1426 1 9 ILE MD 1 12 LEU MD2 5.000 . 5.500 3.822 3.064 5.080 . 0 0 "[ . 1]" 3
1427 1 9 ILE MD 1 28 LEU MD1 5.000 . 5.500 5.062 3.479 5.502 0.002 5 0 "[ . 1]" 3
1428 1 9 ILE MD 1 28 LEU MD2 5.000 . 5.500 4.951 4.264 5.500 . 0 0 "[ . 1]" 3
1429 1 9 ILE MD 1 45 ALA HA 5.000 . 5.500 3.802 2.750 5.409 . 0 0 "[ . 1]" 3
1430 1 9 ILE MD 1 45 ALA MB 5.000 . 5.500 3.618 3.128 4.683 . 0 0 "[ . 1]" 3
1431 1 9 ILE MG 1 45 ALA MB 4.000 . 4.500 4.069 3.574 4.500 0.000 8 0 "[ . 1]" 3
1432 1 9 ILE MD 1 48 ALA MB 5.000 . 5.500 4.356 3.496 5.420 . 0 0 "[ . 1]" 3
1433 1 12 LEU HA 1 12 LEU HG 4.000 . 4.500 2.542 2.314 3.297 . 0 0 "[ . 1]" 3
1434 1 12 LEU HA 1 15 ALA MB 4.000 . 4.500 2.209 2.048 2.806 . 0 0 "[ . 1]" 3
1435 1 12 LEU QB 1 48 ALA MB 5.000 . 5.500 4.617 3.846 5.115 . 0 0 "[ . 1]" 3
1436 1 12 LEU MD2 1 15 ALA MB 5.500 . 6.000 4.365 3.527 4.764 . 0 0 "[ . 1]" 3
1437 1 12 LEU MD2 1 24 VAL MG2 5.500 . 6.000 5.057 2.518 6.002 0.002 5 0 "[ . 1]" 3
1438 1 12 LEU MD2 1 28 LEU MD2 5.000 . 5.500 4.164 2.483 5.500 . 0 0 "[ . 1]" 3
1439 1 12 LEU MD2 1 31 ILE MD 5.000 . 5.500 4.847 3.858 5.503 0.003 5 0 "[ . 1]" 3
1440 1 12 LEU MD2 1 45 ALA MB 5.000 . 5.500 5.450 5.304 5.501 0.001 10 0 "[ . 1]" 3
1441 1 12 LEU MD2 1 48 ALA MB 5.000 . 5.500 5.000 4.369 5.501 0.001 4 0 "[ . 1]" 3
1442 1 15 ALA MB 1 52 VAL MG2 5.500 . 6.000 5.732 5.492 6.003 0.003 3 0 "[ . 1]" 3
1443 1 20 LYS HA 1 20 LYS QE 5.500 . 6.000 4.545 4.063 4.885 . 0 0 "[ . 1]" 3
1444 1 20 LYS QD 1 53 PHE QE 5.000 . 5.500 4.413 3.007 5.501 0.001 1 0 "[ . 1]" 3
1445 1 20 LYS QE 1 53 PHE QD 5.000 . 5.500 4.672 3.731 5.273 . 0 0 "[ . 1]" 3
1446 1 20 LYS QG 1 56 THR MG 4.000 . 4.500 4.334 3.736 4.502 0.002 5 0 "[ . 1]" 3
1447 1 20 LYS QD 1 56 THR MG 4.000 . 4.500 3.525 2.904 4.500 0.000 8 0 "[ . 1]" 3
1448 1 20 LYS QE 1 56 THR MG 4.000 . 4.500 3.450 2.438 4.396 . 0 0 "[ . 1]" 3
1449 1 22 ASP HA 1 25 LEU QB 5.000 . 5.500 3.524 3.197 4.104 . 0 0 "[ . 1]" 3
1450 1 22 ASP HA 1 25 LEU MD1 5.000 . 5.500 3.779 2.840 5.503 0.003 5 0 "[ . 1]" 3
1451 1 22 ASP HA 1 25 LEU MD2 5.000 . 5.500 4.963 4.133 5.502 0.002 3 0 "[ . 1]" 3
1452 1 23 GLU QG 1 27 LEU MD1 5.000 . 5.500 3.292 2.053 4.433 . 0 0 "[ . 1]" 3
1453 1 23 GLU QG 1 27 LEU MD2 5.000 . 5.500 3.548 2.675 4.811 . 0 0 "[ . 1]" 3
1454 1 24 VAL HA 1 24 VAL HB 3.000 . 3.500 3.016 2.999 3.029 . 0 0 "[ . 1]" 3
1455 1 24 VAL HA 1 27 LEU QB 4.000 . 4.500 3.433 2.826 3.877 . 0 0 "[ . 1]" 3
1456 1 16 PHE QD 1 24 VAL MG2 5.000 . 5.500 2.799 2.068 4.448 . 0 0 "[ . 1]" 3
1457 1 16 PHE QE 1 24 VAL MG2 5.000 . 5.500 3.942 3.052 5.123 . 0 0 "[ . 1]" 3
1458 1 24 VAL MG1 1 28 LEU MD1 4.000 . 4.500 3.274 2.107 4.512 0.012 6 0 "[ . 1]" 3
1459 1 24 VAL MG1 1 28 LEU MD2 4.000 . 4.500 3.339 2.585 4.508 0.008 1 0 "[ . 1]" 3
1460 1 24 VAL MG2 1 28 LEU MD2 6.000 . 6.500 5.263 4.572 6.402 . 0 0 "[ . 1]" 3
1461 1 24 VAL MG1 1 52 VAL MG1 4.000 . 4.500 3.820 2.927 4.284 . 0 0 "[ . 1]" 3
1462 1 24 VAL MG1 1 52 VAL MG2 4.000 . 4.500 3.937 2.870 4.505 0.005 6 0 "[ . 1]" 3
1463 1 24 VAL MG2 1 52 VAL MG1 5.500 . 6.000 4.173 2.633 4.896 . 0 0 "[ . 1]" 3
1464 1 24 VAL MG2 1 52 VAL MG2 5.500 . 6.000 4.716 3.126 5.499 . 0 0 "[ . 1]" 3
1465 1 25 LEU HA 1 25 LEU HG 4.000 . 4.500 2.934 2.208 3.362 . 0 0 "[ . 1]" 3
1466 1 25 LEU HA 1 28 LEU QB 5.000 . 5.500 2.633 2.171 3.336 . 0 0 "[ . 1]" 3
1467 1 25 LEU HA 1 28 LEU MD1 5.000 . 5.500 4.229 3.108 5.427 . 0 0 "[ . 1]" 3
1468 1 25 LEU HA 1 28 LEU MD2 5.000 . 5.500 4.296 3.084 5.166 . 0 0 "[ . 1]" 3
1469 1 25 LEU MD1 1 29 LEU MD1 5.000 . 5.500 3.845 2.331 4.592 . 0 0 "[ . 1]" 3
1470 1 25 LEU MD1 1 29 LEU MD2 5.000 . 5.500 4.134 2.825 5.503 0.003 6 0 "[ . 1]" 3
1471 1 25 LEU MD2 1 29 LEU MD1 5.000 . 5.500 3.113 2.084 4.264 . 0 0 "[ . 1]" 3
1472 1 25 LEU MD2 1 29 LEU MD2 5.000 . 5.500 3.883 2.659 4.510 . 0 0 "[ . 1]" 3
1473 1 25 LEU MD1 1 53 PHE HZ 5.000 . 5.500 2.963 2.542 3.888 . 0 0 "[ . 1]" 3
1474 1 25 LEU MD1 1 53 PHE QE 5.000 . 5.500 2.908 2.473 3.257 . 0 0 "[ . 1]" 3
1475 1 25 LEU MD1 1 53 PHE QD 5.000 . 5.500 3.672 3.261 4.399 . 0 0 "[ . 1]" 3
1476 1 25 LEU MD2 1 53 PHE HZ 5.000 . 5.500 3.874 3.067 4.950 . 0 0 "[ . 1]" 3
1477 1 25 LEU MD2 1 53 PHE QE 5.000 . 5.500 3.133 2.340 4.173 . 0 0 "[ . 1]" 3
1478 1 25 LEU MD2 1 53 PHE QD 5.000 . 5.500 3.713 2.836 5.500 0.000 5 0 "[ . 1]" 3
1479 1 25 LEU MD1 1 61 ILE MD 5.000 . 5.500 2.805 2.426 3.788 . 0 0 "[ . 1]" 3
1480 1 25 LEU MD2 1 61 ILE MD 5.000 . 5.500 3.239 2.303 4.110 . 0 0 "[ . 1]" 3
1481 1 26 GLY QA 1 29 LEU QB 4.000 . 4.500 3.715 3.475 4.132 . 0 0 "[ . 1]" 3
1482 1 27 LEU HA 1 27 LEU HG 4.000 . 4.500 2.868 2.262 3.619 . 0 0 "[ . 1]" 3
1483 1 27 LEU MD1 1 31 ILE MD 6.000 . 6.500 4.006 1.954 5.030 . 0 0 "[ . 1]" 3
1484 1 27 LEU HA 1 30 PRO QB 4.000 . 4.500 3.881 3.751 3.965 . 0 0 "[ . 1]" 3
1485 1 27 LEU HA 1 30 PRO QG 5.000 . 5.500 2.192 2.093 2.282 . 0 0 "[ . 1]" 3
1486 1 27 LEU HA 1 30 PRO QD 5.000 . 5.500 3.544 3.143 3.689 . 0 0 "[ . 1]" 3
1487 1 28 LEU HA 1 28 LEU HG 4.000 . 4.500 2.699 2.183 3.579 . 0 0 "[ . 1]" 3
1488 1 28 LEU HA 1 31 ILE HB 5.000 . 5.500 2.839 2.748 3.087 . 0 0 "[ . 1]" 3
1489 1 28 LEU HA 1 31 ILE MG 4.000 . 4.500 4.162 4.086 4.398 . 0 0 "[ . 1]" 3
1490 1 28 LEU HA 1 31 ILE MD 4.000 . 4.500 2.748 2.504 2.969 . 0 0 "[ . 1]" 3
1491 1 28 LEU MD1 1 31 ILE MD 5.000 . 5.500 3.987 2.935 5.501 0.001 8 0 "[ . 1]" 3
1492 1 28 LEU MD2 1 31 ILE MD 5.000 . 5.500 4.433 3.149 5.502 0.002 3 0 "[ . 1]" 3
1493 1 28 LEU MD1 1 45 ALA HA 5.000 . 5.500 4.417 3.441 5.392 . 0 0 "[ . 1]" 3
1494 1 28 LEU MD2 1 45 ALA HA 5.000 . 5.500 3.939 3.104 4.546 . 0 0 "[ . 1]" 3
1495 1 28 LEU MD1 1 45 ALA MB 5.000 . 5.500 3.236 2.192 4.062 . 0 0 "[ . 1]" 3
1496 1 28 LEU MD2 1 45 ALA MB 4.000 . 4.500 2.797 2.215 3.636 . 0 0 "[ . 1]" 3
1497 1 28 LEU MD2 1 48 ALA MB 5.000 . 5.500 3.751 2.531 4.724 . 0 0 "[ . 1]" 3
1498 1 28 LEU MD1 1 49 LEU MD2 5.000 . 5.500 4.201 3.149 5.506 0.006 3 0 "[ . 1]" 3
1499 1 28 LEU MD2 1 49 LEU MD2 5.000 . 5.500 3.831 1.927 5.425 . 0 0 "[ . 1]" 3
1500 1 29 LEU HA 1 29 LEU HG 4.000 . 4.500 2.465 2.236 3.360 . 0 0 "[ . 1]" 3
1501 1 29 LEU HA 1 32 ALA MB 4.000 . 4.500 2.785 2.387 3.097 . 0 0 "[ . 1]" 3
1502 1 29 LEU MD1 1 60 ASP HA 5.500 . 6.000 5.798 4.766 6.008 0.008 2 0 "[ . 1]" 3
1503 1 29 LEU MD2 1 60 ASP HA 5.500 . 6.000 4.376 3.933 5.598 . 0 0 "[ . 1]" 3
1504 1 29 LEU MD1 1 60 ASP QB 4.000 . 4.500 4.249 3.000 4.502 0.002 3 0 "[ . 1]" 3
1505 1 29 LEU MD2 1 60 ASP QB 4.000 . 4.500 2.994 2.646 4.404 . 0 0 "[ . 1]" 3
1506 1 29 LEU MD1 1 61 ILE HA 5.000 . 5.500 2.857 2.603 3.170 . 0 0 "[ . 1]" 3
1507 1 29 LEU MD1 1 61 ILE MD 5.000 . 5.500 4.609 4.361 4.882 . 0 0 "[ . 1]" 3
1508 1 29 LEU MD2 1 61 ILE MD 5.000 . 5.500 5.048 4.433 5.385 . 0 0 "[ . 1]" 3
1509 1 29 LEU MD1 1 61 ILE MG 4.000 . 4.500 3.443 3.121 3.894 . 0 0 "[ . 1]" 3
1510 1 29 LEU MD2 1 61 ILE MG 4.000 . 4.500 4.268 3.365 4.506 0.006 2 0 "[ . 1]" 3
1511 1 29 LEU MD1 1 64 SER HA 5.000 . 5.500 5.340 4.348 5.509 0.009 3 0 "[ . 1]" 3
1512 1 29 LEU MD2 1 64 SER HA 5.000 . 5.500 4.755 4.277 5.504 0.004 1 0 "[ . 1]" 3
1513 1 29 LEU MD1 1 64 SER QB 5.000 . 5.500 3.034 2.134 3.342 . 0 0 "[ . 1]" 3
1514 1 29 LEU MD2 1 64 SER QB 5.000 . 5.500 2.796 2.153 3.753 . 0 0 "[ . 1]" 3
1515 1 30 PRO HA 1 30 PRO QD 4.000 . 4.500 3.105 3.098 3.125 . 0 0 "[ . 1]" 3
1516 1 30 PRO HA 1 33 ALA MB 4.000 . 4.500 3.521 2.909 4.274 . 0 0 "[ . 1]" 3
1517 1 31 ILE HB 1 31 ILE MD 3.000 . 3.500 2.255 2.233 2.329 . 0 0 "[ . 1]" 3
1518 1 31 ILE MD 1 37 LEU MD1 5.000 . 5.500 5.040 4.579 5.484 . 0 0 "[ . 1]" 3
1519 1 31 ILE MD 1 37 LEU MD2 6.000 . 6.500 6.273 6.072 6.501 0.001 2 0 "[ . 1]" 3
1520 1 31 ILE MG 1 37 LEU MD1 5.000 . 5.500 2.612 2.342 2.885 . 0 0 "[ . 1]" 3
1521 1 31 ILE MG 1 37 LEU MD2 5.000 . 5.500 4.016 3.782 4.445 . 0 0 "[ . 1]" 3
1522 1 31 ILE MG 1 41 THR MG 5.000 . 5.500 4.849 3.736 5.493 . 0 0 "[ . 1]" 3
1523 1 31 ILE MD 1 45 ALA MB 5.000 . 5.500 5.250 4.702 5.501 0.001 4 0 "[ . 1]" 3
1524 1 31 ILE MG 1 45 ALA MB 5.000 . 5.500 4.299 3.691 4.787 . 0 0 "[ . 1]" 3
1525 1 31 ILE HB 1 45 ALA MB 5.000 . 5.500 5.037 4.456 5.501 0.001 5 0 "[ . 1]" 3
1526 1 32 ALA HA 1 45 ALA MB 5.000 . 5.500 4.038 2.782 5.158 . 0 0 "[ . 1]" 3
1527 1 32 ALA MB 1 42 ALA MB 5.000 . 5.500 3.609 2.809 4.420 . 0 0 "[ . 1]" 3
1528 1 32 ALA MB 1 45 ALA MB 4.000 . 4.500 2.834 1.986 3.618 . 0 0 "[ . 1]" 3
1529 1 32 ALA MB 1 64 SER QB 5.000 . 5.500 4.296 3.528 5.067 . 0 0 "[ . 1]" 3
1530 1 32 ALA MB 1 49 LEU MD1 5.000 . 5.500 4.095 3.225 4.943 . 0 0 "[ . 1]" 3
1531 1 33 ALA HA 1 64 SER QB 5.000 . 5.500 4.929 3.879 5.500 0.000 3 0 "[ . 1]" 3
1532 1 29 LEU MD1 1 33 ALA MB 5.000 . 5.500 4.363 3.667 4.840 . 0 0 "[ . 1]" 3
1533 1 29 LEU MD2 1 33 ALA MB 5.000 . 5.500 4.315 3.043 5.458 . 0 0 "[ . 1]" 3
1534 1 33 ALA MB 1 64 SER HA 5.000 . 5.500 3.643 3.136 4.031 . 0 0 "[ . 1]" 3
1535 1 33 ALA MB 1 64 SER QB 4.000 . 4.500 2.635 2.159 3.347 . 0 0 "[ . 1]" 3
1536 1 33 ALA MB 1 67 ASP QB 5.500 . 6.000 4.167 3.337 4.981 . 0 0 "[ . 1]" 3
1537 1 35 THR HA 1 35 THR HB 3.000 . 3.500 2.617 2.315 3.026 . 0 0 "[ . 1]" 3
1538 1 37 LEU HA 1 37 LEU HG 4.000 . 4.500 3.103 2.532 3.632 . 0 0 "[ . 1]" 3
1539 1 37 LEU HA 1 38 PRO QD 4.000 . 4.500 2.062 2.002 2.178 . 0 0 "[ . 1]" 3
1540 1 37 LEU QB 1 38 PRO QD 5.000 . 5.500 2.618 1.964 3.740 . 0 0 "[ . 1]" 3
1541 1 37 LEU MD1 1 38 PRO QD 5.000 . 5.500 4.072 3.357 5.094 . 0 0 "[ . 1]" 3
1542 1 37 LEU MD2 1 38 PRO QD 4.000 . 4.500 2.837 2.045 3.407 . 0 0 "[ . 1]" 3
1543 1 38 PRO HA 1 38 PRO QD 4.000 . 4.500 3.254 3.093 3.491 . 0 0 "[ . 1]" 3
1544 1 39 ILE HB 1 39 ILE MD 3.000 . 3.500 2.299 2.255 2.343 . 0 0 "[ . 1]" 3
1545 1 39 ILE HA 1 42 ALA MB 4.000 . 4.500 2.397 2.252 3.228 . 0 0 "[ . 1]" 3
1546 1 39 ILE MD 1 42 ALA MB 5.000 . 5.500 5.250 4.604 5.503 0.003 2 0 "[ . 1]" 3
1547 1 39 ILE MD 1 43 ALA MB 5.000 . 5.500 4.786 3.939 5.374 . 0 0 "[ . 1]" 3
1548 1 39 ILE MD 1 72 ARG QD 5.000 . 5.500 4.131 2.097 5.478 . 0 0 "[ . 1]" 3
1549 1 39 ILE MD 1 73 THR HA 6.000 . 6.500 5.557 2.745 6.500 0.000 8 0 "[ . 1]" 3
1550 1 39 ILE MD 1 76 GLU HA 5.000 . 5.500 4.984 4.375 5.502 0.002 3 0 "[ . 1]" 3
1551 1 39 ILE MD 1 76 GLU QB 5.000 . 5.500 2.608 2.267 4.062 . 0 0 "[ . 1]" 3
1552 1 39 ILE MD 1 76 GLU QG 5.000 . 5.500 2.962 2.170 3.941 . 0 0 "[ . 1]" 3
1553 1 39 ILE MD 1 77 LEU MD2 5.000 . 5.500 4.090 3.279 5.358 . 0 0 "[ . 1]" 3
1554 1 39 ILE QG 1 81 TRP HD1 5.000 . 5.500 4.690 3.671 5.501 0.001 3 0 "[ . 1]" 3
1555 1 41 THR HA 1 41 THR HB 3.000 . 3.500 2.739 2.345 3.029 . 0 0 "[ . 1]" 3
1556 1 42 ALA HA 1 45 ALA MB 4.000 . 4.500 2.913 2.336 3.373 . 0 0 "[ . 1]" 3
1557 1 37 LEU MD1 1 42 ALA MB 5.000 . 5.500 4.081 3.416 5.132 . 0 0 "[ . 1]" 3
1558 1 37 LEU MD2 1 42 ALA MB 5.000 . 5.500 5.151 4.719 5.491 . 0 0 "[ . 1]" 3
1559 1 42 ALA MB 1 45 ALA MB 5.000 . 5.500 4.062 3.508 4.499 . 0 0 "[ . 1]" 3
1560 1 43 ALA HA 1 46 SER QB 4.000 . 4.500 2.996 2.456 3.795 . 0 0 "[ . 1]" 3
1561 1 43 ALA MB 1 84 PHE QB 5.000 . 5.500 4.136 3.379 5.132 . 0 0 "[ . 1]" 3
1562 1 43 ALA MB 1 85 LEU MD2 5.000 . 5.500 5.030 4.370 5.501 0.001 1 0 "[ . 1]" 3
1563 1 45 ALA HA 1 48 ALA MB 4.000 . 4.500 2.931 2.423 3.456 . 0 0 "[ . 1]" 3
1564 1 45 ALA MB 1 48 ALA MB 5.000 . 5.500 3.995 3.551 4.521 . 0 0 "[ . 1]" 3
1565 1 46 SER HA 1 49 LEU QB 4.000 . 4.500 2.887 2.431 3.637 . 0 0 "[ . 1]" 3
1566 1 46 SER QB 1 65 ILE MD 5.000 . 5.500 3.342 2.388 4.268 . 0 0 "[ . 1]" 3
1567 1 46 SER QB 1 65 ILE MG 5.000 . 5.500 4.841 4.402 5.434 . 0 0 "[ . 1]" 3
1568 1 46 SER QB 1 88 ALA MB 5.000 . 5.500 4.320 3.630 5.133 . 0 0 "[ . 1]" 3
1569 1 47 LEU HA 1 47 LEU HG 4.000 . 4.500 2.534 2.327 3.307 . 0 0 "[ . 1]" 3
1570 1 47 LEU HA 1 50 ALA MB 4.000 . 4.500 2.954 2.503 3.401 . 0 0 "[ . 1]" 3
1571 1 47 LEU MD1 1 84 PHE QD 5.000 . 5.500 2.958 2.372 3.577 . 0 0 "[ . 1]" 3
1572 1 47 LEU MD1 1 84 PHE QE 5.000 . 5.500 3.603 2.298 4.811 . 0 0 "[ . 1]" 3
1573 1 47 LEU MD2 1 84 PHE QD 5.000 . 5.500 4.264 3.385 5.109 . 0 0 "[ . 1]" 3
1574 1 47 LEU MD2 1 84 PHE QE 5.000 . 5.500 5.066 3.378 5.501 0.001 3 0 "[ . 1]" 3
1575 1 16 PHE QD 1 48 ALA MB 5.000 . 5.500 4.410 3.397 5.410 . 0 0 "[ . 1]" 3
1576 1 16 PHE QE 1 48 ALA MB 4.000 . 4.500 2.975 2.201 3.678 . 0 0 "[ . 1]" 3
1577 1 16 PHE HZ 1 48 ALA MB 4.000 . 4.500 3.361 2.326 4.502 0.002 1 0 "[ . 1]" 3
1578 1 49 LEU HA 1 52 VAL HB 4.000 . 4.500 3.219 2.731 3.657 . 0 0 "[ . 1]" 3
1579 1 49 LEU HA 1 52 VAL MG1 5.000 . 5.500 4.551 4.028 4.959 . 0 0 "[ . 1]" 3
1580 1 49 LEU HA 1 52 VAL MG2 5.000 . 5.500 3.546 3.172 4.025 . 0 0 "[ . 1]" 3
1581 1 49 LEU HA 1 61 ILE MD 6.000 . 6.500 5.902 4.937 6.504 0.004 2 0 "[ . 1]" 3
1582 1 24 VAL MG1 1 49 LEU MD2 5.000 . 5.500 3.332 2.429 4.019 . 0 0 "[ . 1]" 3
1583 1 24 VAL MG2 1 49 LEU MD2 6.000 . 6.500 5.315 4.601 6.084 . 0 0 "[ . 1]" 3
1584 1 25 LEU HA 1 49 LEU MD2 5.000 . 5.500 4.038 3.079 5.206 . 0 0 "[ . 1]" 3
1585 1 25 LEU MD1 1 49 LEU MD1 5.000 . 5.500 3.618 1.911 4.440 . 0 0 "[ . 1]" 3
1586 1 25 LEU MD2 1 49 LEU MD1 5.000 . 5.500 2.790 2.000 4.817 . 0 0 "[ . 1]" 3
1587 1 29 LEU MD1 1 49 LEU MD1 5.000 . 5.500 2.679 2.212 4.173 . 0 0 "[ . 1]" 3
1588 1 29 LEU MD2 1 49 LEU MD1 5.000 . 5.500 4.153 3.255 4.465 . 0 0 "[ . 1]" 3
1589 1 49 LEU MD2 1 52 VAL MG1 5.000 . 5.500 4.198 3.745 4.513 . 0 0 "[ . 1]" 3
1590 1 49 LEU MD2 1 52 VAL MG2 5.000 . 5.500 4.238 3.943 4.764 . 0 0 "[ . 1]" 3
1591 1 49 LEU MD2 1 53 PHE HZ 5.000 . 5.500 4.842 3.973 5.502 0.002 3 0 "[ . 1]" 3
1592 1 49 LEU MD2 1 53 PHE QE 4.000 . 4.500 3.381 2.903 3.926 . 0 0 "[ . 1]" 3
1593 1 49 LEU MD2 1 53 PHE QD 4.000 . 4.500 2.596 2.248 3.376 . 0 0 "[ . 1]" 3
1594 1 49 LEU MD1 1 61 ILE MD 5.000 . 5.500 3.846 3.338 4.247 . 0 0 "[ . 1]" 3
1595 1 49 LEU MD2 1 61 ILE MD 4.500 . 5.000 3.289 2.523 4.623 . 0 0 "[ . 1]" 3
1596 1 49 LEU MD1 1 61 ILE MG 5.000 . 5.500 2.809 2.174 3.350 . 0 0 "[ . 1]" 3
1597 1 49 LEU MD2 1 61 ILE MG 5.000 . 5.500 3.363 2.370 4.834 . 0 0 "[ . 1]" 3
1598 1 49 LEU MD1 1 65 ILE MD 6.000 . 6.500 4.000 3.092 4.759 . 0 0 "[ . 1]" 3
1599 1 25 LEU MD1 1 49 LEU MD2 4.000 . 4.500 3.211 2.003 3.789 . 0 0 "[ . 1]" 3
1600 1 25 LEU MD2 1 49 LEU MD2 5.000 . 5.500 2.619 1.863 4.957 . 0 0 "[ . 1]" 3
1601 1 29 LEU MD1 1 49 LEU MD2 5.000 . 5.500 4.202 3.611 5.283 . 0 0 "[ . 1]" 3
1602 1 29 LEU MD2 1 49 LEU MD2 5.000 . 5.500 5.442 5.111 5.508 0.008 10 0 "[ . 1]" 3
1603 1 47 LEU MD2 1 50 ALA MB 4.000 . 4.500 3.305 2.352 4.505 0.005 8 0 "[ . 1]" 3
1604 1 50 ALA HA 1 61 ILE MG 5.000 . 5.500 4.394 3.844 4.971 . 0 0 "[ . 1]" 3
1605 1 50 ALA HA 1 88 ALA MB 5.000 . 5.500 5.398 5.147 5.503 0.003 4 0 "[ . 1]" 3
1606 1 50 ALA MB 1 88 ALA HA 4.000 . 4.500 3.594 3.128 4.263 . 0 0 "[ . 1]" 3
1607 1 50 ALA MB 1 88 ALA MB 4.000 . 4.500 3.113 2.833 3.634 . 0 0 "[ . 1]" 3
1608 1 50 ALA HA 1 92 LEU MD1 4.000 . 4.500 4.110 3.612 4.501 0.001 6 0 "[ . 1]" 3
1609 1 50 ALA MB 1 92 LEU MD1 5.000 . 5.500 3.771 3.278 4.542 . 0 0 "[ . 1]" 3
1610 1 50 ALA MB 1 92 LEU MD2 6.000 . 6.500 4.730 4.167 5.524 . 0 0 "[ . 1]" 3
1611 1 17 ALA MB 1 52 VAL HA 5.000 . 5.500 4.738 3.882 5.399 . 0 0 "[ . 1]" 3
1612 1 17 ALA HA 1 52 VAL MG1 5.000 . 5.500 3.231 2.265 4.143 . 0 0 "[ . 1]" 3
1613 1 17 ALA HA 1 52 VAL MG2 5.000 . 5.500 3.196 2.073 4.787 . 0 0 "[ . 1]" 3
1614 1 17 ALA MB 1 52 VAL MG1 5.000 . 5.500 3.915 3.252 4.731 . 0 0 "[ . 1]" 3
1615 1 17 ALA MB 1 52 VAL MG2 5.000 . 5.500 3.552 2.830 4.795 . 0 0 "[ . 1]" 3
1616 1 16 PHE HA 1 52 VAL MG2 5.000 . 5.500 4.819 3.258 5.503 0.003 9 0 "[ . 1]" 3
1617 1 16 PHE QB 1 52 VAL MG2 5.000 . 5.500 3.626 2.152 4.673 . 0 0 "[ . 1]" 3
1618 1 52 VAL MG1 1 53 PHE QD 5.000 . 5.500 2.626 2.283 3.196 . 0 0 "[ . 1]" 3
1619 1 52 VAL MG1 1 53 PHE QE 5.000 . 5.500 2.925 2.621 3.272 . 0 0 "[ . 1]" 3
1620 1 52 VAL MG1 1 53 PHE HZ 5.000 . 5.500 4.338 4.010 5.014 . 0 0 "[ . 1]" 3
1621 1 54 VAL MG1 1 55 GLY QA 4.000 . 4.500 2.934 2.832 3.091 . 0 0 "[ . 1]" 3
1622 1 54 VAL MG2 1 55 GLY QA 4.000 . 4.500 3.429 3.309 3.590 . 0 0 "[ . 1]" 3
1623 1 56 THR HA 1 56 THR HB 3.000 . 3.500 2.489 2.324 3.028 . 0 0 "[ . 1]" 3
1624 1 56 THR MG 1 57 CYS QB 5.000 . 5.500 4.923 4.343 5.496 . 0 0 "[ . 1]" 3
1625 1 53 PHE QD 1 56 THR MG 4.000 . 4.500 3.170 2.098 4.374 . 0 0 "[ . 1]" 3
1626 1 53 PHE QE 1 56 THR MG 5.000 . 5.500 4.059 3.310 5.169 . 0 0 "[ . 1]" 3
1627 1 53 PHE QD 1 57 CYS HA 4.000 . 4.500 4.186 3.763 4.500 0.000 5 0 "[ . 1]" 3
1628 1 53 PHE QD 1 57 CYS QB 6.000 . 6.500 5.671 5.317 5.979 . 0 0 "[ . 1]" 3
1629 1 58 ASN HA 1 61 ILE MD 5.000 . 5.500 4.278 3.988 4.600 . 0 0 "[ . 1]" 3
1630 1 58 ASN QB 1 61 ILE MD 4.000 . 4.500 2.254 2.113 2.883 . 0 0 "[ . 1]" 3
1631 1 58 ASN QB 1 92 LEU MD1 5.000 . 5.500 5.328 5.046 5.501 0.001 2 0 "[ . 1]" 3
1632 1 59 GLY QA 1 62 THR HB 4.000 . 4.500 2.947 2.531 3.399 . 0 0 "[ . 1]" 3
1633 1 59 GLY QA 1 62 THR MG 5.000 . 5.500 4.207 3.936 4.486 . 0 0 "[ . 1]" 3
1634 1 60 ASP HA 1 63 THR HB 4.000 . 4.500 3.084 2.677 4.150 . 0 0 "[ . 1]" 3
1635 1 60 ASP HA 1 63 THR MG 5.000 . 5.500 3.484 2.362 3.987 . 0 0 "[ . 1]" 3
1636 1 61 ILE HB 1 61 ILE MD 3.000 . 3.500 2.259 2.232 2.350 . 0 0 "[ . 1]" 3
1637 1 61 ILE HA 1 64 SER QB 4.000 . 4.500 4.019 3.489 4.501 0.001 8 0 "[ . 1]" 3
1638 1 53 PHE QD 1 61 ILE MD 4.000 . 4.500 3.185 2.226 3.745 . 0 0 "[ . 1]" 3
1639 1 53 PHE QE 1 61 ILE MD 5.000 . 5.500 3.971 3.005 4.705 . 0 0 "[ . 1]" 3
1640 1 61 ILE HB 1 92 LEU MD1 5.000 . 5.500 3.956 3.369 4.535 . 0 0 "[ . 1]" 3
1641 1 61 ILE HB 1 92 LEU MD2 5.000 . 5.500 4.024 3.766 4.476 . 0 0 "[ . 1]" 3
1642 1 61 ILE MG 1 92 LEU MD1 5.000 . 5.500 3.345 2.588 3.874 . 0 0 "[ . 1]" 3
1643 1 61 ILE MG 1 92 LEU MD2 5.000 . 5.500 3.356 2.875 3.902 . 0 0 "[ . 1]" 3
1644 1 61 ILE MD 1 92 LEU MD1 5.000 . 5.500 3.641 3.236 4.017 . 0 0 "[ . 1]" 3
1645 1 61 ILE MD 1 92 LEU MD2 5.000 . 5.500 4.547 4.299 5.040 . 0 0 "[ . 1]" 3
1646 1 62 THR HA 1 62 THR HB 3.000 . 3.500 3.023 3.018 3.028 . 0 0 "[ . 1]" 3
1647 1 62 THR HA 1 65 ILE MD 5.000 . 5.500 3.094 3.025 3.149 . 0 0 "[ . 1]" 3
1648 1 62 THR HA 1 65 ILE MG 5.000 . 5.500 3.116 3.062 3.196 . 0 0 "[ . 1]" 3
1649 1 62 THR HA 1 89 LEU QD 5.000 . 5.500 3.150 2.687 3.342 . 0 0 "[ . 1]" 3
1650 1 62 THR HB 1 89 LEU QD 5.000 . 5.500 3.966 3.693 4.245 . 0 0 "[ . 1]" 3
1651 1 62 THR MG 1 66 MET QG 4.000 . 4.500 4.141 2.279 4.495 . 0 0 "[ . 1]" 3
1652 1 62 THR MG 1 66 MET ME 4.000 . 4.500 3.643 2.940 4.411 . 0 0 "[ . 1]" 3
1653 1 62 THR MG 1 89 LEU MD1 5.000 . 5.500 3.234 2.381 4.456 . 0 0 "[ . 1]" 3
1654 1 62 THR MG 1 89 LEU MD2 5.000 . 5.500 3.572 2.412 4.517 . 0 0 "[ . 1]" 3
1655 1 62 THR MG 1 93 TYR QE 5.000 . 5.500 2.959 2.245 3.696 . 0 0 "[ . 1]" 3
1656 1 62 THR MG 1 93 TYR QD 5.000 . 5.500 4.872 4.215 5.448 . 0 0 "[ . 1]" 3
1657 1 62 THR MG 1 103 VAL MG1 5.000 . 5.500 3.602 3.143 3.997 . 0 0 "[ . 1]" 3
1658 1 62 THR MG 1 103 VAL MG2 5.000 . 5.500 2.395 2.096 2.807 . 0 0 "[ . 1]" 3
1659 1 63 THR HA 1 63 THR HB 3.000 . 3.500 2.918 2.479 3.026 . 0 0 "[ . 1]" 3
1660 1 63 THR HA 1 66 MET QB 4.000 . 4.500 2.837 2.685 3.088 . 0 0 "[ . 1]" 3
1661 1 63 THR HA 1 66 MET QG 5.000 . 5.500 4.557 3.973 5.135 . 0 0 "[ . 1]" 3
1662 1 64 SER HA 1 67 ASP QB 4.000 . 4.500 3.064 2.688 3.437 . 0 0 "[ . 1]" 3
1663 1 65 ILE HB 1 65 ILE MD 3.000 . 3.500 2.252 2.231 2.311 . 0 0 "[ . 1]" 3
1664 1 65 ILE HA 1 68 ASN QB 5.000 . 5.500 2.828 2.606 3.054 . 0 0 "[ . 1]" 3
1665 1 50 ALA MB 1 65 ILE MD 5.000 . 5.500 3.807 3.217 4.354 . 0 0 "[ . 1]" 3
1666 1 65 ILE MD 1 88 ALA HA 5.000 . 5.500 5.385 5.138 5.503 0.003 10 0 "[ . 1]" 3
1667 1 65 ILE MD 1 88 ALA MB 4.000 . 4.500 3.298 3.057 3.554 . 0 0 "[ . 1]" 3
1668 1 65 ILE MD 1 89 LEU HA 5.000 . 5.500 4.206 3.541 5.241 . 0 0 "[ . 1]" 3
1669 1 65 ILE MD 1 89 LEU MD1 5.000 . 5.500 3.912 2.967 5.109 . 0 0 "[ . 1]" 3
1670 1 65 ILE MD 1 89 LEU MD2 5.000 . 5.500 4.522 3.012 5.502 0.002 3 0 "[ . 1]" 3
1671 1 65 ILE MD 1 92 LEU MD1 5.000 . 5.500 4.041 3.168 4.950 . 0 0 "[ . 1]" 3
1672 1 65 ILE MD 1 92 LEU MD2 5.000 . 5.500 3.052 2.265 3.827 . 0 0 "[ . 1]" 3
1673 1 65 ILE MG 1 69 PHE QD 5.000 . 5.500 3.257 2.796 3.869 . 0 0 "[ . 1]" 3
1674 1 65 ILE MG 1 69 PHE QE 5.000 . 5.500 3.675 2.366 5.502 0.002 6 0 "[ . 1]" 3
1675 1 66 MET HA 1 66 MET ME 5.000 . 5.500 3.767 3.510 4.067 . 0 0 "[ . 1]" 3
1676 1 66 MET QB 1 66 MET ME 4.000 . 4.500 2.849 2.254 3.605 . 0 0 "[ . 1]" 3
1677 1 66 MET HA 1 69 PHE QB 4.000 . 4.500 2.590 2.086 2.837 . 0 0 "[ . 1]" 3
1678 1 66 MET QB 1 89 LEU MD1 5.000 . 5.500 4.756 4.085 5.503 0.003 6 0 "[ . 1]" 3
1679 1 66 MET QB 1 89 LEU MD2 5.000 . 5.500 4.982 4.487 5.499 . 0 0 "[ . 1]" 3
1680 1 66 MET QG 1 89 LEU MD1 5.000 . 5.500 4.991 2.851 5.503 0.003 1 0 "[ . 1]" 3
1681 1 66 MET QG 1 89 LEU MD2 5.000 . 5.500 5.091 3.974 5.501 0.001 4 0 "[ . 1]" 3
1682 1 66 MET QG 1 106 THR MG 5.000 . 5.500 4.382 3.561 4.880 . 0 0 "[ . 1]" 3
1683 1 66 MET ME 1 69 PHE QD 5.000 . 5.500 5.308 4.636 5.505 0.005 7 0 "[ . 1]" 3
1684 1 66 MET ME 1 70 LEU MD2 5.000 . 5.500 3.784 3.008 4.711 . 0 0 "[ . 1]" 3
1685 1 66 MET ME 1 89 LEU MD1 4.000 . 4.500 4.393 4.108 4.504 0.004 5 0 "[ . 1]" 3
1686 1 66 MET ME 1 89 LEU MD2 4.000 . 4.500 4.426 4.179 4.508 0.008 1 0 "[ . 1]" 3
1687 1 66 MET ME 1 103 VAL HA 5.000 . 5.500 2.689 2.233 3.448 . 0 0 "[ . 1]" 3
1688 1 66 MET ME 1 103 VAL MG1 4.000 . 4.500 2.463 2.149 3.033 . 0 0 "[ . 1]" 3
1689 1 66 MET ME 1 103 VAL MG2 5.000 . 5.500 3.346 2.749 3.959 . 0 0 "[ . 1]" 3
1690 1 66 MET ME 1 106 THR HB 4.000 . 4.500 2.303 2.035 2.768 . 0 0 "[ . 1]" 3
1691 1 66 MET ME 1 106 THR MG 4.000 . 4.500 2.992 2.693 3.229 . 0 0 "[ . 1]" 3
1692 1 66 MET ME 1 107 ILE HA 5.000 . 5.500 3.635 3.111 4.291 . 0 0 "[ . 1]" 3
1693 1 66 MET ME 1 107 ILE QG 5.000 . 5.500 2.458 2.014 3.145 . 0 0 "[ . 1]" 3
1694 1 66 MET ME 1 107 ILE MD 4.000 . 4.500 3.045 1.933 3.580 . 0 0 "[ . 1]" 3
1695 1 66 MET ME 1 107 ILE MG 4.000 . 4.500 4.376 3.975 4.505 0.005 6 0 "[ . 1]" 3
1696 1 67 ASP HA 1 70 LEU QB 4.000 . 4.500 3.294 2.801 3.727 . 0 0 "[ . 1]" 3
1697 1 67 ASP HA 1 70 LEU MD1 5.000 . 5.500 2.621 2.234 3.594 . 0 0 "[ . 1]" 3
1698 1 67 ASP HA 1 70 LEU MD2 5.000 . 5.500 4.186 3.156 5.051 . 0 0 "[ . 1]" 3
1699 1 68 ASN HA 1 71 GLU QB 4.000 . 4.500 2.820 2.308 4.097 . 0 0 "[ . 1]" 3
1700 1 68 ASN HA 1 71 GLU QG 4.000 . 4.500 3.546 2.271 4.190 . 0 0 "[ . 1]" 3
1701 1 69 PHE HA 1 72 ARG QB 5.000 . 5.500 3.818 2.470 5.505 0.005 4 0 "[ . 1]" 3
1702 1 69 PHE HA 1 72 ARG QG 5.000 . 5.500 4.885 4.242 5.502 0.002 2 0 "[ . 1]" 3
1703 1 70 LEU HA 1 70 LEU HG 4.000 . 4.500 3.016 2.272 3.314 . 0 0 "[ . 1]" 3
1704 1 70 LEU MD1 1 106 THR MG 5.000 . 5.500 5.117 4.489 5.504 0.004 4 0 "[ . 1]" 3
1705 1 70 LEU MD2 1 106 THR MG 5.000 . 5.500 5.342 4.762 5.503 0.003 1 0 "[ . 1]" 3
1706 1 70 LEU MD2 1 109 ALA MB 5.500 . 6.000 5.878 5.337 6.003 0.003 3 0 "[ . 1]" 3
1707 1 70 LEU MD1 1 110 ILE MD 5.000 . 5.500 3.052 1.852 5.381 . 0 0 "[ . 1]" 3
1708 1 70 LEU MD2 1 110 ILE MD 5.000 . 5.500 3.079 1.995 5.164 . 0 0 "[ . 1]" 3
1709 1 73 THR HA 1 73 THR HB 3.000 . 3.500 2.643 2.431 2.971 . 0 0 "[ . 1]" 3
1710 1 73 THR HA 1 74 ALA MB 5.000 . 5.500 4.067 3.793 4.586 . 0 0 "[ . 1]" 3
1711 1 73 THR HA 1 75 ILE HB 5.000 . 5.500 4.154 3.131 4.860 . 0 0 "[ . 1]" 3
1712 1 73 THR HA 1 75 ILE MG 5.000 . 5.500 4.989 3.631 5.524 0.024 1 0 "[ . 1]" 3
1713 1 73 THR HA 1 75 ILE MD 5.000 . 5.500 4.549 3.869 5.501 0.001 5 0 "[ . 1]" 3
1714 1 73 THR HB 1 74 ALA MB 4.000 . 4.500 4.450 4.030 4.551 0.051 1 0 "[ . 1]" 3
1715 1 73 THR HB 1 75 ILE HB 5.000 . 5.500 3.203 2.233 5.079 . 0 0 "[ . 1]" 3
1716 1 73 THR HB 1 75 ILE MG 5.000 . 5.500 3.942 3.212 5.521 0.021 4 0 "[ . 1]" 3
1717 1 73 THR HB 1 75 ILE MD 5.000 . 5.500 4.059 2.984 5.539 0.039 4 0 "[ . 1]" 3
1718 1 73 THR MG 1 75 ILE MD 5.000 . 5.500 3.936 2.080 5.456 . 0 0 "[ . 1]" 3
1719 1 73 THR MG 1 76 GLU QG 5.000 . 5.500 5.049 4.087 5.506 0.006 3 0 "[ . 1]" 3
1720 1 75 ILE HB 1 75 ILE MD 3.000 . 3.500 2.187 2.142 2.216 . 0 0 "[ . 1]" 3
1721 1 75 ILE MG 1 76 GLU HA 4.000 . 4.500 3.058 2.866 3.361 . 0 0 "[ . 1]" 3
1722 1 75 ILE MG 1 76 GLU QB 4.000 . 4.500 3.697 2.534 3.965 . 0 0 "[ . 1]" 3
1723 1 75 ILE MG 1 76 GLU QG 4.000 . 4.500 2.414 2.077 2.882 . 0 0 "[ . 1]" 3
1724 1 77 LEU HA 1 77 LEU HG 4.000 . 4.500 3.067 2.364 3.623 . 0 0 "[ . 1]" 3
1725 1 82 VAL HA 1 85 LEU MD2 5.000 . 5.500 3.285 2.801 3.660 . 0 0 "[ . 1]" 3
1726 1 82 VAL HB 1 85 LEU MD2 5.000 . 5.500 4.920 4.476 5.356 . 0 0 "[ . 1]" 3
1727 1 82 VAL MG2 1 85 LEU MD2 4.000 . 4.500 3.920 3.416 4.502 0.002 3 0 "[ . 1]" 3
1728 1 82 VAL MG1 1 118 ILE MD 5.000 . 5.500 4.785 3.224 5.500 0.000 6 0 "[ . 1]" 3
1729 1 82 VAL MG2 1 118 ILE MD 5.000 . 5.500 2.917 2.247 4.837 . 0 0 "[ . 1]" 3
1730 1 81 TRP HD1 1 82 VAL MG1 5.000 . 5.500 4.254 3.256 5.046 . 0 0 "[ . 1]" 3
1731 1 81 TRP HD1 1 82 VAL MG2 5.000 . 5.500 4.015 2.503 5.055 . 0 0 "[ . 1]" 3
1732 1 83 ARG HA 1 86 ALA MB 5.000 . 5.500 3.093 2.664 3.621 . 0 0 "[ . 1]" 3
1733 1 85 LEU HA 1 88 ALA MB 5.000 . 5.500 2.988 2.572 3.426 . 0 0 "[ . 1]" 3
1734 1 69 PHE QD 1 85 LEU MD1 5.000 . 5.500 3.969 2.303 5.501 0.001 4 0 "[ . 1]" 3
1735 1 69 PHE QE 1 85 LEU MD1 5.000 . 5.500 3.533 2.628 4.186 . 0 0 "[ . 1]" 3
1736 1 69 PHE HZ 1 85 LEU MD1 5.000 . 5.500 4.536 3.759 5.500 0.000 5 0 "[ . 1]" 3
1737 1 69 PHE HA 1 85 LEU MD2 5.000 . 5.500 3.576 3.080 4.179 . 0 0 "[ . 1]" 3
1738 1 69 PHE QD 1 85 LEU MD2 5.000 . 5.500 3.180 2.301 3.712 . 0 0 "[ . 1]" 3
1739 1 69 PHE QE 1 85 LEU MD2 5.000 . 5.500 2.858 2.216 3.694 . 0 0 "[ . 1]" 3
1740 1 69 PHE HZ 1 85 LEU MD2 5.000 . 5.500 3.463 2.605 4.256 . 0 0 "[ . 1]" 3
1741 1 72 ARG HA 1 85 LEU MD2 5.500 . 6.000 5.680 4.531 5.995 . 0 0 "[ . 1]" 3
1742 1 72 ARG QD 1 85 LEU MD2 5.000 . 5.500 3.725 2.152 5.502 0.002 3 0 "[ . 1]" 3
1743 1 85 LEU MD2 1 89 LEU MD2 5.000 . 5.500 5.252 4.570 5.494 . 0 0 "[ . 1]" 3
1744 1 85 LEU MD2 1 118 ILE MD 5.500 . 6.000 3.806 2.949 4.549 . 0 0 "[ . 1]" 3
1745 1 86 ALA HA 1 118 ILE MG 5.000 . 5.500 3.539 2.978 4.049 . 0 0 "[ . 1]" 3
1746 1 86 ALA HA 1 89 LEU QB 4.000 . 4.500 3.261 2.858 3.660 . 0 0 "[ . 1]" 3
1747 1 86 ALA MB 1 118 ILE MG 5.000 . 5.500 3.386 2.787 3.918 . 0 0 "[ . 1]" 3
1748 1 86 ALA MB 1 118 ILE MD 6.000 . 6.500 3.194 2.319 4.111 . 0 0 "[ . 1]" 3
1749 1 82 VAL MG2 1 86 ALA MB 5.000 . 5.500 2.769 2.273 4.993 . 0 0 "[ . 1]" 3
1750 1 88 ALA HA 1 91 ILE HB 5.000 . 5.500 4.561 3.540 5.498 . 0 0 "[ . 1]" 3
1751 1 88 ALA MB 1 92 LEU MD2 4.000 . 4.500 4.305 3.931 4.466 . 0 0 "[ . 1]" 3
1752 1 89 LEU HA 1 89 LEU HG 4.000 . 4.500 2.808 2.460 3.535 . 0 0 "[ . 1]" 3
1753 1 89 LEU HA 1 92 LEU QB 4.000 . 4.500 2.622 2.385 3.218 . 0 0 "[ . 1]" 3
1754 1 69 PHE QD 1 89 LEU MD1 5.000 . 5.500 3.739 2.241 4.921 . 0 0 "[ . 1]" 3
1755 1 69 PHE QE 1 89 LEU MD1 5.000 . 5.500 3.484 2.506 4.274 . 0 0 "[ . 1]" 3
1756 1 69 PHE HZ 1 89 LEU MD1 4.000 . 4.500 4.275 3.518 4.504 0.004 1 0 "[ . 1]" 3
1757 1 89 LEU MD2 1 92 LEU MD2 5.000 . 5.500 3.875 2.491 4.630 . 0 0 "[ . 1]" 3
1758 1 89 LEU MD2 1 103 VAL MG2 5.000 . 5.500 3.887 3.316 4.230 . 0 0 "[ . 1]" 3
1759 1 89 LEU MD1 1 107 ILE MD 5.000 . 5.500 3.955 2.697 4.702 . 0 0 "[ . 1]" 3
1760 1 89 LEU MD2 1 107 ILE MD 5.000 . 5.500 3.648 2.612 4.719 . 0 0 "[ . 1]" 3
1761 1 89 LEU MD2 1 118 ILE MD 5.000 . 5.500 4.585 3.797 5.504 0.004 6 0 "[ . 1]" 3
1762 1 89 LEU MD1 1 122 VAL MG1 5.000 . 5.500 5.037 3.194 5.446 . 0 0 "[ . 1]" 3
1763 1 89 LEU MD1 1 122 VAL MG2 5.000 . 5.500 4.581 2.778 5.302 . 0 0 "[ . 1]" 3
1764 1 89 LEU MD2 1 122 VAL MG1 5.000 . 5.500 4.430 3.189 5.501 0.001 1 0 "[ . 1]" 3
1765 1 89 LEU MD2 1 122 VAL MG2 5.000 . 5.500 3.821 2.476 4.997 . 0 0 "[ . 1]" 3
1766 1 92 LEU MD1 1 93 TYR QD 4.000 . 4.500 4.187 4.084 4.331 . 0 0 "[ . 1]" 3
1767 1 92 LEU MD1 1 93 TYR QE 4.000 . 4.500 4.234 3.776 4.501 0.001 4 0 "[ . 1]" 3
1768 1 92 LEU MD2 1 93 TYR QD 4.000 . 4.500 3.570 2.933 3.803 . 0 0 "[ . 1]" 3
1769 1 92 LEU MD2 1 93 TYR QE 4.000 . 4.500 2.666 2.262 3.005 . 0 0 "[ . 1]" 3
1770 1 94 MET HA 1 94 MET ME 5.000 . 5.500 4.233 3.679 5.208 . 0 0 "[ . 1]" 3
1771 1 94 MET QB 1 94 MET ME 4.000 . 4.500 3.137 2.270 3.548 . 0 0 "[ . 1]" 3
1772 1 98 GLU HA 1 101 ASP QB 4.000 . 4.500 3.107 2.771 3.568 . 0 0 "[ . 1]" 3
1773 1 98 GLU QG 1 127 TYR QD 5.000 . 5.500 5.064 4.469 5.503 0.003 6 0 "[ . 1]" 3
1774 1 98 GLU QG 1 127 TYR QE 4.000 . 4.500 3.605 2.762 4.240 . 0 0 "[ . 1]" 3
1775 1 99 GLN HA 1 102 ASP QB 5.000 . 5.500 3.029 2.645 3.529 . 0 0 "[ . 1]" 3
1776 1 93 TYR QE 1 99 GLN QG 5.000 . 5.500 4.297 2.735 5.207 . 0 0 "[ . 1]" 3
1777 1 100 VAL HA 1 103 VAL HB 4.000 . 4.500 2.675 2.356 3.124 . 0 0 "[ . 1]" 3
1778 1 100 VAL HA 1 103 VAL MG1 5.000 . 5.500 4.026 3.721 4.436 . 0 0 "[ . 1]" 3
1779 1 100 VAL HA 1 103 VAL MG2 5.000 . 5.500 2.762 2.440 3.079 . 0 0 "[ . 1]" 3
1780 1 100 VAL MG2 1 103 VAL MG2 5.500 . 6.000 3.897 3.617 4.157 . 0 0 "[ . 1]" 3
1781 1 100 VAL MG1 1 104 LEU MD1 4.000 . 4.500 2.166 1.940 2.508 . 0 0 "[ . 1]" 3
1782 1 100 VAL MG2 1 104 LEU MD1 5.000 . 5.500 4.218 3.769 4.726 . 0 0 "[ . 1]" 3
1783 1 100 VAL MG1 1 104 LEU MD2 4.000 . 4.500 2.822 2.154 3.345 . 0 0 "[ . 1]" 3
1784 1 100 VAL MG2 1 104 LEU MD2 5.000 . 5.500 4.755 4.104 5.104 . 0 0 "[ . 1]" 3
1785 1 93 TYR QD 1 100 VAL MG1 5.000 . 5.500 4.309 4.003 4.992 . 0 0 "[ . 1]" 3
1786 1 93 TYR QD 1 100 VAL MG2 5.000 . 5.500 2.814 2.257 3.681 . 0 0 "[ . 1]" 3
1787 1 93 TYR QE 1 100 VAL MG1 5.000 . 5.500 4.725 3.809 5.494 . 0 0 "[ . 1]" 3
1788 1 93 TYR QE 1 100 VAL MG2 5.000 . 5.500 3.800 3.156 4.290 . 0 0 "[ . 1]" 3
1789 1 100 VAL MG1 1 122 VAL MG1 5.000 . 5.500 2.265 2.017 2.700 . 0 0 "[ . 1]" 3
1790 1 100 VAL MG1 1 122 VAL MG2 5.000 . 5.500 4.423 3.973 4.925 . 0 0 "[ . 1]" 3
1791 1 100 VAL MG2 1 122 VAL MG1 4.000 . 4.500 3.163 2.374 3.622 . 0 0 "[ . 1]" 3
1792 1 100 VAL MG2 1 122 VAL MG2 5.000 . 5.500 5.015 4.453 5.488 . 0 0 "[ . 1]" 3
1793 1 100 VAL MG1 1 126 ALA MB 4.000 . 4.500 2.793 2.239 3.408 . 0 0 "[ . 1]" 3
1794 1 100 VAL MG2 1 126 ALA MB 4.000 . 4.500 3.249 2.243 3.823 . 0 0 "[ . 1]" 3
1795 1 101 ASP HA 1 104 LEU QB 4.000 . 4.500 3.362 3.065 3.678 . 0 0 "[ . 1]" 3
1796 1 101 ASP HA 1 104 LEU MD1 5.000 . 5.500 3.753 3.466 4.327 . 0 0 "[ . 1]" 3
1797 1 101 ASP HA 1 104 LEU MD2 5.000 . 5.500 4.758 3.740 5.494 . 0 0 "[ . 1]" 3
1798 1 102 ASP HA 1 105 GLU QB 4.000 . 4.500 2.617 2.529 2.673 . 0 0 "[ . 1]" 3
1799 1 102 ASP HA 1 105 GLU QG 4.000 . 4.500 4.432 4.268 4.500 0.000 1 0 "[ . 1]" 3
1800 1 102 ASP QB 1 103 VAL MG2 5.000 . 5.500 3.148 2.986 3.297 . 0 0 "[ . 1]" 3
1801 1 103 VAL HA 1 106 THR HB 4.000 . 4.500 4.499 4.464 4.506 0.006 9 0 "[ . 1]" 3
1802 1 103 VAL HA 1 106 THR MG 4.000 . 4.500 4.064 3.558 4.500 0.000 7 0 "[ . 1]" 3
1803 1 93 TYR QE 1 103 VAL MG2 4.000 . 4.500 2.727 2.277 3.321 . 0 0 "[ . 1]" 3
1804 1 93 TYR QD 1 103 VAL MG2 5.000 . 5.500 4.029 3.626 4.933 . 0 0 "[ . 1]" 3
1805 1 104 LEU HA 1 104 LEU HG 4.000 . 4.500 2.873 2.291 3.345 . 0 0 "[ . 1]" 3
1806 1 104 LEU HA 1 107 ILE HB 4.000 . 4.500 2.534 2.357 2.877 . 0 0 "[ . 1]" 3
1807 1 104 LEU HA 1 107 ILE MG 4.000 . 4.500 3.895 3.776 3.999 . 0 0 "[ . 1]" 3
1808 1 104 LEU HA 1 107 ILE MD 4.000 . 4.500 2.772 2.313 4.260 . 0 0 "[ . 1]" 3
1809 1 104 LEU MD2 1 107 ILE MD 5.000 . 5.500 3.590 2.216 4.707 . 0 0 "[ . 1]" 3
1810 1 104 LEU MD2 1 107 ILE MG 5.000 . 5.500 4.566 3.804 5.502 0.002 4 0 "[ . 1]" 3
1811 1 104 LEU MD1 1 119 GLU HA 4.000 . 4.500 4.176 3.793 4.500 . 0 0 "[ . 1]" 3
1812 1 104 LEU MD2 1 119 GLU HA 4.000 . 4.500 3.381 2.544 4.445 . 0 0 "[ . 1]" 3
1813 1 104 LEU MD1 1 119 GLU QB 5.000 . 5.500 5.246 4.864 5.492 . 0 0 "[ . 1]" 3
1814 1 104 LEU MD2 1 119 GLU QB 5.000 . 5.500 4.461 3.800 5.143 . 0 0 "[ . 1]" 3
1815 1 104 LEU MD1 1 119 GLU QG 5.000 . 5.500 3.686 3.176 4.337 . 0 0 "[ . 1]" 3
1816 1 104 LEU MD2 1 119 GLU QG 5.000 . 5.500 2.972 2.355 3.463 . 0 0 "[ . 1]" 3
1817 1 104 LEU MD1 1 122 VAL HB 5.000 . 5.500 3.336 2.553 3.813 . 0 0 "[ . 1]" 3
1818 1 104 LEU MD2 1 122 VAL HB 5.000 . 5.500 2.859 2.281 4.217 . 0 0 "[ . 1]" 3
1819 1 104 LEU MD1 1 122 VAL MG1 5.000 . 5.500 2.573 2.223 3.526 . 0 0 "[ . 1]" 3
1820 1 104 LEU MD2 1 122 VAL MG1 5.000 . 5.500 2.709 2.136 3.526 . 0 0 "[ . 1]" 3
1821 1 104 LEU MD1 1 122 VAL MG2 5.000 . 5.500 4.300 3.238 4.939 . 0 0 "[ . 1]" 3
1822 1 104 LEU MD2 1 122 VAL MG2 5.000 . 5.500 3.978 3.254 5.239 . 0 0 "[ . 1]" 3
1823 1 104 LEU MD1 1 123 GLY QA 5.000 . 5.500 2.877 2.059 4.154 . 0 0 "[ . 1]" 3
1824 1 105 GLU HA 1 108 SER QB 4.000 . 4.500 3.550 3.100 4.484 . 0 0 "[ . 1]" 3
1825 1 106 THR HA 1 106 THR HB 3.000 . 3.500 2.699 2.600 2.798 . 0 0 "[ . 1]" 3
1826 1 106 THR HA 1 109 ALA MB 4.000 . 4.500 2.246 2.044 2.492 . 0 0 "[ . 1]" 3
1827 1 106 THR MG 1 110 ILE MD 4.000 . 4.500 3.552 2.935 4.453 . 0 0 "[ . 1]" 3
1828 1 107 ILE HB 1 107 ILE MD 3.000 . 3.500 2.456 2.250 3.196 . 0 0 "[ . 1]" 3
1829 1 69 PHE QE 1 107 ILE MD 5.000 . 5.500 4.906 4.095 5.499 . 0 0 "[ . 1]" 3
1830 1 69 PHE QD 1 107 ILE MD 5.000 . 5.500 4.529 3.667 5.501 0.001 5 0 "[ . 1]" 3
1831 1 107 ILE MG 1 119 GLU HA 4.000 . 4.500 4.202 3.756 4.502 0.002 6 0 "[ . 1]" 3
1832 1 107 ILE MG 1 119 GLU QG 5.000 . 5.500 3.674 2.948 4.435 . 0 0 "[ . 1]" 3
1833 1 110 ILE HB 1 110 ILE MD 3.000 . 3.500 2.606 2.269 3.191 . 0 0 "[ . 1]" 3
1834 1 113 PRO HA 1 113 PRO QD 4.000 . 4.500 3.368 3.083 3.492 . 0 0 "[ . 1]" 3
1835 1 115 THR HA 1 115 THR HB 3.000 . 3.500 2.473 2.353 3.025 . 0 0 "[ . 1]" 3
1836 1 115 THR HA 1 118 ILE HB 5.000 . 5.500 3.970 3.366 4.491 . 0 0 "[ . 1]" 3
1837 1 115 THR HA 1 118 ILE MD 5.000 . 5.500 3.460 2.586 4.598 . 0 0 "[ . 1]" 3
1838 1 115 THR HA 1 118 ILE MG 5.000 . 5.500 5.257 4.671 5.504 0.004 6 0 "[ . 1]" 3
1839 1 107 ILE MG 1 115 THR HB 5.000 . 5.500 3.597 2.574 4.696 . 0 0 "[ . 1]" 3
1840 1 107 ILE MD 1 115 THR HB 6.000 . 6.500 4.910 3.859 5.829 . 0 0 "[ . 1]" 3
1841 1 107 ILE MD 1 115 THR MG 5.000 . 5.500 3.764 2.875 4.635 . 0 0 "[ . 1]" 3
1842 1 107 ILE MG 1 115 THR MG 4.000 . 4.500 2.463 2.049 3.369 . 0 0 "[ . 1]" 3
1843 1 115 THR MG 1 116 SER HA 5.000 . 5.500 4.384 3.382 5.499 . 0 0 "[ . 1]" 3
1844 1 115 THR MG 1 116 SER QB 5.000 . 5.500 4.936 3.996 5.472 . 0 0 "[ . 1]" 3
1845 1 116 SER HA 1 119 GLU QB 4.000 . 4.500 2.331 2.198 2.664 . 0 0 "[ . 1]" 3
1846 1 107 ILE MG 1 116 SER HA 5.000 . 5.500 4.911 4.000 5.502 0.002 5 0 "[ . 1]" 3
1847 1 117 ALA HA 1 120 VAL HB 4.000 . 4.500 3.653 3.193 4.499 . 0 0 "[ . 1]" 3
1848 1 117 ALA HA 1 120 VAL MG1 5.000 . 5.500 4.560 2.224 5.236 . 0 0 "[ . 1]" 3
1849 1 117 ALA HA 1 120 VAL MG2 5.000 . 5.500 3.626 2.727 4.761 . 0 0 "[ . 1]" 3
1850 1 118 ILE HB 1 118 ILE MD 3.000 . 3.500 2.389 2.253 3.196 . 0 0 "[ . 1]" 3
1851 1 81 TRP HD1 1 118 ILE MD 5.000 . 5.500 5.076 3.217 5.500 0.000 1 0 "[ . 1]" 3
1852 1 118 ILE MD 1 122 VAL MG2 5.000 . 5.500 4.490 3.860 4.919 . 0 0 "[ . 1]" 3
1853 1 119 GLU HA 1 122 VAL HB 4.000 . 4.500 3.502 3.059 3.900 . 0 0 "[ . 1]" 3
1854 1 119 GLU HA 1 122 VAL MG1 5.000 . 5.500 4.827 4.396 5.243 . 0 0 "[ . 1]" 3
1855 1 119 GLU HA 1 122 VAL MG2 5.000 . 5.500 4.132 3.653 4.387 . 0 0 "[ . 1]" 3
1856 1 123 GLY QA 1 126 ALA MB 4.000 . 4.500 3.978 3.334 4.501 0.001 6 0 "[ . 1]" 3
1857 1 126 ALA MB 1 127 TYR QD 5.000 . 5.500 2.811 2.423 3.454 . 0 0 "[ . 1]" 3
1858 1 126 ALA MB 1 127 TYR QE 5.000 . 5.500 3.442 2.887 3.835 . 0 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 166
_Distance_constraint_stats_list.Viol_count 333
_Distance_constraint_stats_list.Viol_total 44.745
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0105
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0134
_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 3 LYS 0.000 0.000 . 0 "[ . 1]"
1 4 ILE 0.002 0.002 5 0 "[ . 1]"
1 5 SER 0.001 0.001 1 0 "[ . 1]"
1 6 SER 0.001 0.001 6 0 "[ . 1]"
1 7 ALA 0.003 0.001 3 0 "[ . 1]"
1 8 ALA 0.005 0.002 5 0 "[ . 1]"
1 9 ILE 0.002 0.001 2 0 "[ . 1]"
1 10 LEU 0.007 0.002 3 0 "[ . 1]"
1 11 GLY 0.010 0.003 5 0 "[ . 1]"
1 12 LEU 0.016 0.004 10 0 "[ . 1]"
1 13 GLY 0.001 0.001 2 0 "[ . 1]"
1 14 ILE 0.006 0.002 3 0 "[ . 1]"
1 15 ALA 0.006 0.003 5 0 "[ . 1]"
1 16 PHE 0.014 0.004 10 0 "[ . 1]"
1 22 ASP 0.068 0.014 6 0 "[ . 1]"
1 23 GLU 0.027 0.006 6 0 "[ . 1]"
1 24 VAL 0.047 0.013 1 0 "[ . 1]"
1 25 LEU 0.006 0.004 3 0 "[ . 1]"
1 26 GLY 0.068 0.014 6 0 "[ . 1]"
1 27 LEU 0.119 0.025 10 0 "[ . 1]"
1 28 LEU 0.056 0.013 1 0 "[ . 1]"
1 29 LEU 0.006 0.004 3 0 "[ . 1]"
1 31 ILE 0.092 0.025 10 0 "[ . 1]"
1 32 ALA 0.009 0.003 7 0 "[ . 1]"
1 41 THR 0.003 0.002 10 0 "[ . 1]"
1 42 ALA 0.002 0.001 8 0 "[ . 1]"
1 43 ALA 0.000 0.000 2 0 "[ . 1]"
1 44 MET 0.001 0.001 1 0 "[ . 1]"
1 45 ALA 0.008 0.004 6 0 "[ . 1]"
1 46 SER 0.004 0.002 8 0 "[ . 1]"
1 47 LEU 0.000 0.000 2 0 "[ . 1]"
1 48 ALA 0.001 0.001 1 0 "[ . 1]"
1 49 LEU 0.007 0.004 6 0 "[ . 1]"
1 50 ALA 0.015 0.005 3 0 "[ . 1]"
1 51 HIS 0.000 0.000 . 0 "[ . 1]"
1 52 VAL 0.000 0.000 1 0 "[ . 1]"
1 53 PHE 0.002 0.001 6 0 "[ . 1]"
1 54 VAL 0.013 0.005 3 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 ASP 0.012 0.003 5 0 "[ . 1]"
1 61 ILE 0.004 0.002 5 0 "[ . 1]"
1 62 THR 0.002 0.002 5 0 "[ . 1]"
1 63 THR 0.009 0.005 6 0 "[ . 1]"
1 64 SER 0.038 0.007 9 0 "[ . 1]"
1 65 ILE 0.004 0.002 5 0 "[ . 1]"
1 66 MET 0.005 0.003 1 0 "[ . 1]"
1 67 ASP 0.046 0.016 6 0 "[ . 1]"
1 68 ASN 0.026 0.007 9 0 "[ . 1]"
1 69 PHE 0.000 0.000 . 0 "[ . 1]"
1 70 LEU 0.003 0.003 1 0 "[ . 1]"
1 71 GLU 0.037 0.016 6 0 "[ . 1]"
1 81 TRP 0.005 0.002 4 0 "[ . 1]"
1 82 VAL 0.001 0.001 9 0 "[ . 1]"
1 83 ARG 0.001 0.001 6 0 "[ . 1]"
1 84 PHE 0.003 0.003 1 0 "[ . 1]"
1 85 LEU 0.018 0.005 5 0 "[ . 1]"
1 86 ALA 0.004 0.001 6 0 "[ . 1]"
1 87 LEU 0.001 0.001 6 0 "[ . 1]"
1 88 ALA 0.003 0.003 1 0 "[ . 1]"
1 89 LEU 0.013 0.005 5 0 "[ . 1]"
1 90 GLY 0.002 0.001 6 0 "[ . 1]"
1 91 ILE 0.000 0.000 . 0 "[ . 1]"
1 92 LEU 0.000 0.000 . 0 "[ . 1]"
1 98 GLU 0.102 0.027 10 0 "[ . 1]"
1 99 GLN 0.006 0.002 2 0 "[ . 1]"
1 100 VAL 0.000 0.000 . 0 "[ . 1]"
1 101 ASP 0.016 0.005 1 0 "[ . 1]"
1 102 ASP 0.113 0.027 10 0 "[ . 1]"
1 103 VAL 0.006 0.002 2 0 "[ . 1]"
1 104 LEU 0.003 0.002 1 0 "[ . 1]"
1 105 GLU 0.029 0.005 1 0 "[ . 1]"
1 106 THR 0.017 0.005 10 0 "[ . 1]"
1 107 ILE 0.000 0.000 . 0 "[ . 1]"
1 108 SER 0.003 0.002 1 0 "[ . 1]"
1 109 ALA 0.013 0.004 8 0 "[ . 1]"
1 110 ILE 0.007 0.003 5 0 "[ . 1]"
1 115 THR 0.001 0.001 5 0 "[ . 1]"
1 116 SER 0.001 0.001 3 0 "[ . 1]"
1 117 ALA 0.005 0.001 4 0 "[ . 1]"
1 118 ILE 0.003 0.002 6 0 "[ . 1]"
1 119 GLU 0.002 0.001 5 0 "[ . 1]"
1 120 VAL 0.001 0.001 3 0 "[ . 1]"
1 121 LEU 0.011 0.002 7 0 "[ . 1]"
1 122 VAL 0.003 0.002 6 0 "[ . 1]"
1 123 GLY 0.000 0.000 9 0 "[ . 1]"
1 124 SER 0.000 0.000 6 0 "[ . 1]"
1 125 CYS 0.006 0.002 7 0 "[ . 1]"
2 2 VAL 0.224 0.028 1 0 "[ . 1]"
2 4 LEU 0.046 0.011 2 0 "[ . 1]"
2 5 THR 0.677 0.071 7 0 "[ . 1]"
2 6 PHE 0.204 0.036 3 0 "[ . 1]"
2 7 LYS 0.000 0.000 . 0 "[ . 1]"
2 14 VAL 0.204 0.036 3 0 "[ . 1]"
2 16 LEU 0.046 0.011 2 0 "[ . 1]"
2 18 LEU 0.224 0.028 1 0 "[ . 1]"
2 24 ILE 0.581 0.087 1 0 "[ . 1]"
2 25 LEU 0.000 0.000 . 0 "[ . 1]"
2 26 GLU 0.020 0.012 6 0 "[ . 1]"
2 27 THR 0.000 0.000 . 0 "[ . 1]"
2 28 LYS 0.710 0.087 1 0 "[ . 1]"
2 29 THR 0.000 0.000 . 0 "[ . 1]"
2 30 LYS 0.020 0.012 6 0 "[ . 1]"
2 31 LEU 0.000 0.000 . 0 "[ . 1]"
2 32 ALA 0.128 0.029 10 0 "[ . 1]"
2 33 GLN 0.000 0.000 . 0 "[ . 1]"
2 34 SER 0.000 0.000 . 0 "[ . 1]"
2 43 LYS 0.292 0.034 6 0 "[ . 1]"
2 44 LEU 0.106 0.029 3 0 "[ . 1]"
2 45 ILE 1.145 0.125 5 0 "[ . 1]"
2 46 TYR 0.443 0.043 3 0 "[ . 1]"
2 49 LYS 0.443 0.043 3 0 "[ . 1]"
2 51 LEU 0.106 0.029 3 0 "[ . 1]"
2 66 ASP 0.106 0.016 8 0 "[ . 1]"
2 68 VAL 0.571 0.071 7 0 "[ . 1]"
2 69 VAL 1.145 0.125 5 0 "[ . 1]"
2 70 PHE 0.000 0.000 . 0 "[ . 1]"
2 71 MET 0.292 0.034 6 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 24 ILE O 2 28 LYS H 2.150 . 2.500 1.742 1.713 1.768 0.087 1 0 "[ . 1]" 4
2 2 24 ILE O 2 28 LYS N 2.900 2.500 3.300 2.610 2.580 2.679 . 0 0 "[ . 1]" 4
3 2 25 LEU O 2 29 THR H 2.150 . 2.500 2.094 1.835 2.278 . 0 0 "[ . 1]" 4
4 2 25 LEU O 2 29 THR N 2.900 2.500 3.300 2.937 2.677 3.105 . 0 0 "[ . 1]" 4
5 2 26 GLU O 2 30 LYS H 2.150 . 2.500 1.845 1.788 1.969 0.012 6 0 "[ . 1]" 4
6 2 26 GLU O 2 30 LYS N 2.900 2.500 3.300 2.812 2.759 2.907 . 0 0 "[ . 1]" 4
7 2 27 THR O 2 31 LEU H 2.150 . 2.500 1.903 1.839 1.971 . 0 0 "[ . 1]" 4
8 2 27 THR O 2 31 LEU N 2.900 2.500 3.300 2.803 2.751 2.854 . 0 0 "[ . 1]" 4
9 2 28 LYS O 2 32 ALA H 2.150 . 2.500 2.510 2.476 2.529 0.029 10 0 "[ . 1]" 4
10 2 28 LYS O 2 32 ALA N 2.900 2.500 3.300 3.130 3.033 3.197 . 0 0 "[ . 1]" 4
11 2 29 THR O 2 33 GLN H 2.150 . 2.500 2.140 2.027 2.301 . 0 0 "[ . 1]" 4
12 2 29 THR O 2 33 GLN N 2.900 2.500 3.300 2.891 2.766 3.073 . 0 0 "[ . 1]" 4
13 2 30 LYS O 2 34 SER H 2.150 . 2.500 2.213 2.097 2.287 . 0 0 "[ . 1]" 4
14 2 30 LYS O 2 34 SER N 2.900 2.500 3.300 2.806 2.700 2.853 . 0 0 "[ . 1]" 4
15 2 2 VAL O 2 18 LEU H 2.150 . 2.500 1.848 1.772 2.449 0.028 1 0 "[ . 1]" 4
16 2 2 VAL O 2 18 LEU N 2.900 2.500 3.300 2.788 2.722 3.281 . 0 0 "[ . 1]" 4
17 2 2 VAL H 2 18 LEU O 2.150 . 2.500 2.377 2.186 2.503 0.003 3 0 "[ . 1]" 4
18 2 2 VAL N 2 18 LEU O 2.900 2.500 3.300 3.274 3.144 3.312 0.012 8 0 "[ . 1]" 4
19 2 4 LEU O 2 16 LEU H 2.150 . 2.500 2.031 1.789 2.267 0.011 2 0 "[ . 1]" 4
20 2 4 LEU O 2 16 LEU N 2.900 2.500 3.300 2.922 2.597 3.182 . 0 0 "[ . 1]" 4
21 2 4 LEU H 2 16 LEU O 2.150 . 2.500 2.178 1.851 2.508 0.008 6 0 "[ . 1]" 4
22 2 4 LEU N 2 16 LEU O 2.900 2.500 3.300 2.896 2.650 3.162 . 0 0 "[ . 1]" 4
23 2 6 PHE O 2 14 VAL H 2.150 . 2.500 1.930 1.857 2.009 . 0 0 "[ . 1]" 4
24 2 6 PHE O 2 14 VAL N 2.900 2.500 3.300 2.681 2.596 2.770 . 0 0 "[ . 1]" 4
25 2 6 PHE H 2 14 VAL O 2.150 . 2.500 2.374 2.342 2.404 . 0 0 "[ . 1]" 4
26 2 6 PHE N 2 14 VAL O 2.900 2.500 3.300 3.320 3.310 3.336 0.036 3 0 "[ . 1]" 4
27 2 43 LYS O 2 71 MET H 2.150 . 2.500 2.491 2.332 2.526 0.026 3 0 "[ . 1]" 4
28 2 43 LYS O 2 71 MET N 2.900 2.500 3.300 3.223 3.076 3.297 . 0 0 "[ . 1]" 4
29 2 43 LYS H 2 71 MET O 2.150 . 2.500 1.784 1.766 1.796 0.034 6 0 "[ . 1]" 4
30 2 43 LYS N 2 71 MET O 2.900 2.500 3.300 2.673 2.523 2.759 . 0 0 "[ . 1]" 4
31 2 44 LEU O 2 51 LEU H 2.150 . 2.500 1.827 1.780 1.912 0.020 7 0 "[ . 1]" 4
32 2 44 LEU O 2 51 LEU N 2.900 2.500 3.300 2.535 2.471 2.669 0.029 3 0 "[ . 1]" 4
33 2 45 ILE O 2 69 VAL H 2.150 . 2.500 2.542 2.514 2.625 0.125 5 0 "[ . 1]" 4
34 2 45 ILE O 2 69 VAL N 2.900 2.500 3.300 3.122 3.057 3.206 . 0 0 "[ . 1]" 4
35 2 45 ILE H 2 69 VAL O 2.150 . 2.500 1.803 1.790 1.822 0.010 4 0 "[ . 1]" 4
36 2 45 ILE N 2 69 VAL O 2.900 2.500 3.300 2.430 2.411 2.440 0.089 1 0 "[ . 1]" 4
37 2 46 TYR O 2 49 LYS H 2.150 . 2.500 2.533 2.526 2.543 0.043 3 0 "[ . 1]" 4
38 2 46 TYR O 2 49 LYS N 2.900 2.500 3.300 3.076 3.034 3.156 . 0 0 "[ . 1]" 4
39 2 46 TYR H 2 49 LYS O 2.150 . 2.500 2.504 2.459 2.542 0.042 5 0 "[ . 1]" 4
40 2 46 TYR N 2 49 LYS O 2.900 2.500 3.300 3.216 3.173 3.270 . 0 0 "[ . 1]" 4
41 2 5 THR H 2 66 ASP O 2.150 . 2.500 2.509 2.499 2.516 0.016 8 0 "[ . 1]" 4
42 2 5 THR N 2 66 ASP O 2.900 2.500 3.300 3.090 2.921 3.311 0.011 5 0 "[ . 1]" 4
43 2 5 THR O 2 68 VAL H 2.150 . 2.500 1.743 1.729 1.757 0.071 7 0 "[ . 1]" 4
44 2 5 THR O 2 68 VAL N 2.900 2.500 3.300 2.669 2.638 2.717 . 0 0 "[ . 1]" 4
45 2 7 LYS H 2 68 VAL O 2.150 . 2.500 2.137 1.996 2.211 . 0 0 "[ . 1]" 4
46 2 7 LYS N 2 68 VAL O 2.900 2.500 3.300 3.078 2.956 3.152 . 0 0 "[ . 1]" 4
47 2 7 LYS O 2 70 PHE H 2.150 . 2.500 2.093 1.975 2.194 . 0 0 "[ . 1]" 4
48 2 7 LYS O 2 70 PHE N 2.900 2.500 3.300 3.001 2.875 3.116 . 0 0 "[ . 1]" 4
49 1 3 LYS O 1 7 ALA H 2.150 . 2.500 2.160 1.914 2.396 . 0 0 "[ . 1]" 4
50 1 3 LYS O 1 7 ALA N 2.900 2.500 3.300 3.098 2.892 3.297 . 0 0 "[ . 1]" 4
51 1 4 ILE O 1 8 ALA H 2.150 . 2.500 2.224 1.867 2.496 . 0 0 "[ . 1]" 4
52 1 4 ILE O 1 8 ALA N 2.900 2.500 3.300 3.027 2.735 3.302 0.002 5 0 "[ . 1]" 4
53 1 5 SER O 1 9 ILE H 2.150 . 2.500 2.189 1.999 2.420 . 0 0 "[ . 1]" 4
54 1 5 SER O 1 9 ILE N 2.900 2.500 3.300 3.095 2.935 3.301 0.001 1 0 "[ . 1]" 4
55 1 6 SER O 1 10 LEU H 2.150 . 2.500 2.046 1.799 2.408 0.001 6 0 "[ . 1]" 4
56 1 6 SER O 1 10 LEU N 2.900 2.500 3.300 2.903 2.602 3.162 . 0 0 "[ . 1]" 4
57 1 7 ALA O 1 11 GLY H 2.150 . 2.500 2.315 2.056 2.501 0.001 8 0 "[ . 1]" 4
58 1 7 ALA O 1 11 GLY N 2.900 2.500 3.300 3.210 2.948 3.301 0.001 3 0 "[ . 1]" 4
59 1 8 ALA O 1 12 LEU H 2.150 . 2.500 2.184 1.853 2.468 . 0 0 "[ . 1]" 4
60 1 8 ALA O 1 12 LEU N 2.900 2.500 3.300 3.066 2.777 3.301 0.001 3 0 "[ . 1]" 4
61 1 9 ILE O 1 13 GLY H 2.150 . 2.500 2.093 1.874 2.354 . 0 0 "[ . 1]" 4
62 1 9 ILE O 1 13 GLY N 2.900 2.500 3.300 2.818 2.499 3.189 0.001 2 0 "[ . 1]" 4
63 1 10 LEU O 1 14 ILE H 2.150 . 2.500 2.336 2.120 2.502 0.002 3 0 "[ . 1]" 4
64 1 10 LEU O 1 14 ILE N 2.900 2.500 3.300 3.219 3.060 3.302 0.002 4 0 "[ . 1]" 4
65 1 11 GLY O 1 15 ALA H 2.150 . 2.500 2.355 1.925 2.501 0.001 1 0 "[ . 1]" 4
66 1 11 GLY O 1 15 ALA N 2.900 2.500 3.300 3.038 2.499 3.303 0.003 5 0 "[ . 1]" 4
67 1 12 LEU O 1 16 PHE H 2.150 . 2.500 2.346 2.198 2.500 0.000 3 0 "[ . 1]" 4
68 1 12 LEU O 1 16 PHE N 2.900 2.500 3.300 3.146 2.501 3.304 0.004 10 0 "[ . 1]" 4
69 1 22 ASP O 1 26 GLY H 2.150 . 2.500 2.481 2.432 2.507 0.007 3 0 "[ . 1]" 4
70 1 22 ASP O 1 26 GLY N 2.900 2.500 3.300 3.256 3.109 3.314 0.014 6 0 "[ . 1]" 4
71 1 23 GLU O 1 27 LEU H 2.150 . 2.500 2.485 2.379 2.506 0.006 6 0 "[ . 1]" 4
72 1 23 GLU O 1 27 LEU N 2.900 2.500 3.300 3.023 2.750 3.302 0.002 3 0 "[ . 1]" 4
73 1 24 VAL O 1 28 LEU H 2.150 . 2.500 2.048 1.787 2.373 0.013 1 0 "[ . 1]" 4
74 1 24 VAL O 1 28 LEU N 2.900 2.500 3.300 2.966 2.648 3.303 0.003 9 0 "[ . 1]" 4
75 1 25 LEU O 1 29 LEU H 2.150 . 2.500 2.302 1.872 2.503 0.003 5 0 "[ . 1]" 4
76 1 25 LEU O 1 29 LEU N 2.900 2.500 3.300 3.071 2.679 3.304 0.004 3 0 "[ . 1]" 4
77 1 27 LEU O 1 31 ILE H 2.150 . 2.500 2.381 2.354 2.428 . 0 0 "[ . 1]" 4
78 1 27 LEU O 1 31 ILE N 2.900 2.500 3.300 3.309 3.303 3.325 0.025 10 0 "[ . 1]" 4
79 1 28 LEU O 1 32 ALA H 2.150 . 2.500 1.904 1.797 2.501 0.003 7 0 "[ . 1]" 4
80 1 28 LEU O 1 32 ALA N 2.900 2.500 3.300 2.734 2.605 3.147 . 0 0 "[ . 1]" 4
81 1 41 THR O 1 45 ALA H 2.150 . 2.500 2.084 1.799 2.412 0.001 4 0 "[ . 1]" 4
82 1 41 THR O 1 45 ALA N 2.900 2.500 3.300 2.993 2.605 3.302 0.002 10 0 "[ . 1]" 4
83 1 42 ALA O 1 46 SER H 2.150 . 2.500 2.044 1.799 2.440 0.001 8 0 "[ . 1]" 4
84 1 42 ALA O 1 46 SER N 2.900 2.500 3.300 2.965 2.735 3.299 . 0 0 "[ . 1]" 4
85 1 43 ALA O 1 47 LEU H 2.150 . 2.500 2.203 1.931 2.500 . 2 0 "[ . 1]" 4
86 1 43 ALA O 1 47 LEU N 2.900 2.500 3.300 3.056 2.843 3.265 . 0 0 "[ . 1]" 4
87 1 44 MET O 1 48 ALA H 2.150 . 2.500 2.288 2.000 2.419 . 0 0 "[ . 1]" 4
88 1 44 MET O 1 48 ALA N 2.900 2.500 3.300 3.197 2.965 3.301 0.001 1 0 "[ . 1]" 4
89 1 45 ALA O 1 49 LEU H 2.150 . 2.500 2.230 1.839 2.382 . 0 0 "[ . 1]" 4
90 1 45 ALA O 1 49 LEU N 2.900 2.500 3.300 3.149 2.800 3.304 0.004 6 0 "[ . 1]" 4
91 1 46 SER O 1 50 ALA H 2.150 . 2.500 2.200 1.995 2.351 . 0 0 "[ . 1]" 4
92 1 46 SER O 1 50 ALA N 2.900 2.500 3.300 3.159 2.887 3.302 0.002 8 0 "[ . 1]" 4
93 1 47 LEU O 1 51 HIS H 2.150 . 2.500 2.042 1.809 2.355 . 0 0 "[ . 1]" 4
94 1 47 LEU O 1 51 HIS N 2.900 2.500 3.300 2.990 2.788 3.190 . 0 0 "[ . 1]" 4
95 1 48 ALA O 1 52 VAL H 2.150 . 2.500 2.267 2.077 2.475 . 0 0 "[ . 1]" 4
96 1 48 ALA O 1 52 VAL N 2.900 2.500 3.300 3.202 3.039 3.300 0.000 1 0 "[ . 1]" 4
97 1 49 LEU O 1 53 PHE H 2.150 . 2.500 1.999 1.799 2.297 0.001 6 0 "[ . 1]" 4
98 1 49 LEU O 1 53 PHE N 2.900 2.500 3.300 2.889 2.609 3.201 . 0 0 "[ . 1]" 4
99 1 50 ALA O 1 54 VAL H 2.150 . 2.500 2.497 2.481 2.504 0.004 3 0 "[ . 1]" 4
100 1 50 ALA O 1 54 VAL N 2.900 2.500 3.300 2.557 2.495 2.681 0.005 3 0 "[ . 1]" 4
101 1 59 GLY O 1 63 THR H 2.150 . 2.500 2.050 1.809 2.340 . 0 0 "[ . 1]" 4
102 1 59 GLY O 1 63 THR N 2.900 2.500 3.300 2.832 2.610 3.259 . 0 0 "[ . 1]" 4
103 1 60 ASP O 1 64 SER H 2.150 . 2.500 2.307 2.051 2.387 . 0 0 "[ . 1]" 4
104 1 60 ASP O 1 64 SER N 2.900 2.500 3.300 3.251 3.003 3.303 0.003 5 0 "[ . 1]" 4
105 1 61 ILE O 1 65 ILE H 2.150 . 2.500 2.290 1.974 2.411 . 0 0 "[ . 1]" 4
106 1 61 ILE O 1 65 ILE N 2.900 2.500 3.300 3.215 2.934 3.302 0.002 5 0 "[ . 1]" 4
107 1 62 THR O 1 66 MET H 2.150 . 2.500 2.009 1.798 2.241 0.002 5 0 "[ . 1]" 4
108 1 62 THR O 1 66 MET N 2.900 2.500 3.300 2.825 2.617 2.977 . 0 0 "[ . 1]" 4
109 1 63 THR O 1 67 ASP H 2.150 . 2.500 2.221 1.915 2.361 . 0 0 "[ . 1]" 4
110 1 63 THR O 1 67 ASP N 2.900 2.500 3.300 3.182 2.873 3.305 0.005 6 0 "[ . 1]" 4
111 1 64 SER O 1 68 ASN H 2.150 . 2.500 2.402 2.334 2.500 . 0 0 "[ . 1]" 4
112 1 64 SER O 1 68 ASN N 2.900 2.500 3.300 3.294 3.264 3.307 0.007 9 0 "[ . 1]" 4
113 1 65 ILE O 1 69 PHE H 2.150 . 2.500 2.267 2.010 2.411 . 0 0 "[ . 1]" 4
114 1 65 ILE O 1 69 PHE N 2.900 2.500 3.300 3.095 2.590 3.210 . 0 0 "[ . 1]" 4
115 1 66 MET O 1 70 LEU H 2.150 . 2.500 2.239 2.024 2.466 . 0 0 "[ . 1]" 4
116 1 66 MET O 1 70 LEU N 2.900 2.500 3.300 3.137 2.871 3.303 0.003 1 0 "[ . 1]" 4
117 1 67 ASP O 1 71 GLU H 2.150 . 2.500 2.295 1.842 2.434 . 0 0 "[ . 1]" 4
118 1 67 ASP O 1 71 GLU N 2.900 2.500 3.300 3.200 2.751 3.316 0.016 6 0 "[ . 1]" 4
119 1 81 TRP O 1 85 LEU H 2.150 . 2.500 2.276 2.162 2.379 . 0 0 "[ . 1]" 4
120 1 81 TRP O 1 85 LEU N 2.900 2.500 3.300 3.186 3.079 3.302 0.002 4 0 "[ . 1]" 4
121 1 82 VAL O 1 86 ALA H 2.150 . 2.500 2.103 1.800 2.484 . 0 0 "[ . 1]" 4
122 1 82 VAL O 1 86 ALA N 2.900 2.500 3.300 2.965 2.676 3.301 0.001 9 0 "[ . 1]" 4
123 1 83 ARG O 1 87 LEU H 2.150 . 2.500 2.024 1.799 2.454 0.001 6 0 "[ . 1]" 4
124 1 83 ARG O 1 87 LEU N 2.900 2.500 3.300 2.939 2.713 3.279 . 0 0 "[ . 1]" 4
125 1 84 PHE O 1 88 ALA H 2.150 . 2.500 2.058 1.889 2.410 . 0 0 "[ . 1]" 4
126 1 84 PHE O 1 88 ALA N 2.900 2.500 3.300 2.944 2.729 3.303 0.003 1 0 "[ . 1]" 4
127 1 85 LEU O 1 89 LEU H 2.150 . 2.500 2.406 2.174 2.501 0.001 3 0 "[ . 1]" 4
128 1 85 LEU O 1 89 LEU N 2.900 2.500 3.300 3.229 2.880 3.305 0.005 5 0 "[ . 1]" 4
129 1 86 ALA O 1 90 GLY H 2.150 . 2.500 2.293 1.855 2.501 0.001 6 0 "[ . 1]" 4
130 1 86 ALA O 1 90 GLY N 2.900 2.500 3.300 2.916 2.560 3.137 . 0 0 "[ . 1]" 4
131 1 87 LEU O 1 91 ILE H 2.150 . 2.500 2.075 1.810 2.434 . 0 0 "[ . 1]" 4
132 1 87 LEU O 1 91 ILE N 2.900 2.500 3.300 2.854 2.537 3.163 . 0 0 "[ . 1]" 4
133 1 88 ALA O 1 92 LEU H 2.150 . 2.500 1.955 1.857 2.137 . 0 0 "[ . 1]" 4
134 1 88 ALA O 1 92 LEU N 2.900 2.500 3.300 2.802 2.700 3.012 . 0 0 "[ . 1]" 4
135 1 98 GLU O 1 102 ASP H 2.150 . 2.500 2.402 2.331 2.432 . 0 0 "[ . 1]" 4
136 1 98 GLU O 1 102 ASP N 2.900 2.500 3.300 3.310 3.300 3.327 0.027 10 0 "[ . 1]" 4
137 1 99 GLN O 1 103 VAL H 2.150 . 2.500 2.336 2.076 2.482 . 0 0 "[ . 1]" 4
138 1 99 GLN O 1 103 VAL N 2.900 2.500 3.300 3.203 2.959 3.302 0.002 2 0 "[ . 1]" 4
139 1 100 VAL O 1 104 LEU H 2.150 . 2.500 2.164 1.945 2.412 . 0 0 "[ . 1]" 4
140 1 100 VAL O 1 104 LEU N 2.900 2.500 3.300 3.016 2.752 3.260 . 0 0 "[ . 1]" 4
141 1 101 ASP O 1 105 GLU H 2.150 . 2.500 2.377 1.807 2.502 0.002 5 0 "[ . 1]" 4
142 1 101 ASP O 1 105 GLU N 2.900 2.500 3.300 3.186 2.677 3.305 0.005 1 0 "[ . 1]" 4
143 1 102 ASP O 1 106 THR H 2.150 . 2.500 2.372 2.057 2.496 . 0 0 "[ . 1]" 4
144 1 102 ASP O 1 106 THR N 2.900 2.500 3.300 3.221 3.010 3.305 0.005 10 0 "[ . 1]" 4
145 1 103 VAL O 1 107 ILE H 2.150 . 2.500 2.037 1.896 2.176 . 0 0 "[ . 1]" 4
146 1 103 VAL O 1 107 ILE N 2.900 2.500 3.300 2.958 2.848 3.062 . 0 0 "[ . 1]" 4
147 1 104 LEU O 1 108 SER H 2.150 . 2.500 2.179 1.799 2.489 0.001 4 0 "[ . 1]" 4
148 1 104 LEU O 1 108 SER N 2.900 2.500 3.300 3.044 2.587 3.302 0.002 1 0 "[ . 1]" 4
149 1 105 GLU O 1 109 ALA H 2.150 . 2.500 2.496 2.471 2.504 0.004 8 0 "[ . 1]" 4
150 1 105 GLU O 1 109 ALA N 2.900 2.500 3.300 3.120 3.003 3.302 0.002 1 0 "[ . 1]" 4
151 1 106 THR O 1 110 ILE H 2.150 . 2.500 2.285 1.799 2.503 0.003 5 0 "[ . 1]" 4
152 1 106 THR O 1 110 ILE N 2.900 2.500 3.300 3.061 2.757 3.303 0.003 5 0 "[ . 1]" 4
153 1 115 THR O 1 119 GLU H 2.150 . 2.500 1.998 1.799 2.415 0.001 5 0 "[ . 1]" 4
154 1 115 THR O 1 119 GLU N 2.900 2.500 3.300 2.908 2.718 3.241 . 0 0 "[ . 1]" 4
155 1 116 SER O 1 120 VAL H 2.150 . 2.500 2.048 1.800 2.501 0.001 3 0 "[ . 1]" 4
156 1 116 SER O 1 120 VAL N 2.900 2.500 3.300 2.960 2.668 3.245 . 0 0 "[ . 1]" 4
157 1 117 ALA O 1 121 LEU H 2.150 . 2.500 2.294 2.093 2.402 . 0 0 "[ . 1]" 4
158 1 117 ALA O 1 121 LEU N 2.900 2.500 3.300 3.224 3.069 3.301 0.001 4 0 "[ . 1]" 4
159 1 118 ILE O 1 122 VAL H 2.150 . 2.500 2.074 1.799 2.447 0.001 5 0 "[ . 1]" 4
160 1 118 ILE O 1 122 VAL N 2.900 2.500 3.300 2.972 2.670 3.302 0.002 6 0 "[ . 1]" 4
161 1 119 GLU O 1 123 GLY H 2.150 . 2.500 1.972 1.800 2.424 . 10 0 "[ . 1]" 4
162 1 119 GLU O 1 123 GLY N 2.900 2.500 3.300 2.722 2.500 3.108 0.000 9 0 "[ . 1]" 4
163 1 120 VAL O 1 124 SER H 2.150 . 2.500 2.026 1.800 2.257 0.000 6 0 "[ . 1]" 4
164 1 120 VAL O 1 124 SER N 2.900 2.500 3.300 2.920 2.660 3.188 . 0 0 "[ . 1]" 4
165 1 121 LEU O 1 125 CYS H 2.150 . 2.500 2.363 2.247 2.467 . 0 0 "[ . 1]" 4
166 1 121 LEU O 1 125 CYS N 2.900 2.500 3.300 3.281 3.108 3.302 0.002 7 0 "[ . 1]" 4
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