NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394182 |
1r48   |
5972 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r48
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 624
_Distance_constraint_stats_list.Viol_count 5491
_Distance_constraint_stats_list.Viol_total 9599.669
_Distance_constraint_stats_list.Viol_max 0.978
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0343
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 2 GLY 0.809 0.138 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 4 ASP 8.406 0.146 41 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 5 ASN 8.153 0.140 17 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 6 ILE 36.079 0.978 15 17 "[ . - * +* * 2 . ** * * *** * 4** * *5 ]"
1 7 GLU 30.206 0.978 15 17 "[ . - * +* * 2 . ** * * *** * 4** * *5 ]"
1 8 GLN 2.804 0.076 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 9 LYS 2.262 0.045 15 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 10 ILE 15.114 0.144 24 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 11 ASP 1.281 0.068 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 12 ASP 6.445 0.144 24 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 13 ILE 2.664 0.208 46 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 14 ASP 2.721 0.058 17 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 15 HIS 9.289 0.090 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 16 GLU 13.794 0.092 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 17 ILE 7.978 0.092 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 18 ALA 2.227 0.043 9 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 19 ASP 0.730 0.035 18 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 20 LEU 5.065 0.049 38 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 21 GLN 1.793 0.037 22 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 22 ALA 1.246 0.042 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 23 LYS 1.228 0.042 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 24 ARG 5.857 0.062 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 25 THR 5.837 0.083 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 26 ARG 3.643 0.055 18 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 27 LEU 2.238 0.125 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 28 VAL 10.720 0.102 35 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 29 GLN 2.031 0.059 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 30 GLN 0.684 0.077 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 31 HIS 15.116 0.180 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 32 PRO 0.706 0.087 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
1 33 ARG 0.510 0.047 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 1 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 2 GLY 0.482 0.142 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 4 ASP 7.936 0.177 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 5 ASN 10.006 0.135 22 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 6 ILE 17.399 0.180 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 7 GLU 9.282 0.177 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 8 GLN 3.418 0.096 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 9 LYS 2.353 0.041 13 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 10 ILE 14.942 0.147 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 11 ASP 1.454 0.096 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 12 ASP 6.677 0.147 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 13 ILE 2.357 0.052 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 14 ASP 2.597 0.052 19 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 15 HIS 9.114 0.097 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 16 GLU 13.704 0.097 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 17 ILE 7.986 0.096 27 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 18 ALA 2.136 0.043 36 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 19 ASP 0.722 0.031 30 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 20 LEU 4.977 0.055 38 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 21 GLN 1.784 0.044 37 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 22 ALA 1.327 0.049 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 23 LYS 1.233 0.049 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 24 ARG 6.432 0.208 46 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 25 THR 5.638 0.088 35 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 26 ARG 3.474 0.053 29 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 27 LEU 2.415 0.122 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 28 VAL 10.492 0.113 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 29 GLN 2.030 0.061 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 30 GLN 0.596 0.048 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 31 HIS 14.357 0.141 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 32 PRO 0.789 0.060 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
2 33 ARG 0.714 0.052 25 0 "[ . 1 . 2 . 3 . 4 . 5 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 CYS QB 1 2 GLY QA 5.000 . 5.000 3.839 3.348 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
2 1 2 GLY QA 1 6 ILE QG 5.000 . 5.000 4.768 3.856 5.138 0.138 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
3 1 4 ASP H 1 5 ASN H 2.800 . 2.800 2.616 1.961 2.828 0.028 13 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
4 1 4 ASP H 1 7 GLU QB 5.000 . 5.000 4.041 2.329 5.049 0.049 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
5 1 4 ASP HA 1 5 ASN H 3.000 . 3.500 3.248 3.060 3.516 0.016 38 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
6 1 4 ASP HA 1 7 GLU QB 4.000 . 5.000 3.654 2.488 5.125 0.125 32 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
7 1 4 ASP QB 1 5 ASN H 3.500 . 3.500 3.022 1.863 3.640 0.140 17 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
8 1 4 ASP QB 1 7 GLU H 3.000 . 3.500 3.532 2.557 3.646 0.146 41 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
9 1 5 ASN H 1 6 ILE H 3.500 . 3.500 2.393 1.839 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
10 1 5 ASN H 1 6 ILE HB 5.000 . 5.000 4.775 4.120 5.103 0.103 39 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
11 1 5 ASN H 1 6 ILE MD 5.000 . 5.000 4.587 3.101 5.096 0.096 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
12 1 5 ASN H 1 8 GLN QB 5.000 . 5.000 4.794 3.825 5.049 0.049 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
13 1 5 ASN HA 1 8 GLN QB 3.000 . 3.500 3.022 2.664 3.576 0.076 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
14 1 5 ASN QB 1 6 ILE H 5.000 . 5.000 2.786 2.452 3.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
15 1 5 ASN QB 1 6 ILE QG 5.000 . 5.000 3.071 2.916 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
16 1 5 ASN QD 1 8 GLN QB 5.000 . 5.000 3.689 3.230 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
17 1 5 ASN QD 1 8 GLN QG 4.000 . 5.000 4.797 4.268 5.016 0.016 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
18 1 6 ILE H 1 7 GLU H 2.800 . 2.800 2.475 1.913 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
19 1 6 ILE H 1 8 GLN H 5.000 . 5.000 3.785 2.559 4.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
20 1 6 ILE HA 1 7 GLU H 3.500 . 3.500 3.532 3.521 3.541 0.041 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
21 1 6 ILE HA 1 9 LYS H 3.500 . 3.500 3.228 3.107 3.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
22 1 6 ILE HA 1 9 LYS QB 2.800 . 2.800 2.541 1.976 2.801 0.001 26 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
23 1 6 ILE HA 1 9 LYS QD 5.000 . 5.000 3.549 2.007 4.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
24 1 6 ILE HA 1 10 ILE H 5.000 . 5.000 4.296 3.839 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
25 1 6 ILE HA 2 27 LEU QD 3.500 . 3.500 3.225 2.221 3.507 0.007 35 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
26 1 6 ILE HB 1 7 GLU H 2.800 . 2.800 2.399 2.137 2.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
27 1 6 ILE HB 2 31 HIS HD2 4.000 . 5.000 3.787 3.383 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
28 1 6 ILE HB 2 31 HIS HE1 3.000 . 3.500 3.543 2.314 3.588 0.088 9 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
29 1 6 ILE MD 2 31 HIS H 5.000 . 5.000 4.156 3.531 5.036 0.036 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
30 1 6 ILE MD 2 31 HIS HA 5.000 . 5.000 4.050 3.670 5.141 0.141 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
31 1 6 ILE MD 2 31 HIS QB 5.000 . 5.000 2.136 1.803 4.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
32 1 6 ILE MD 2 31 HIS HE1 5.000 . 5.000 4.493 1.752 5.006 0.048 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
33 1 6 ILE MG 1 7 GLU H 3.500 . 3.500 3.583 3.055 3.641 0.141 41 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
34 1 6 ILE MG 1 7 GLU HA 5.000 . 5.000 3.801 3.232 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
35 1 6 ILE MG 1 7 GLU QG 5.000 . 5.000 5.355 4.861 5.978 0.978 15 17 "[ . - * +* * 2 . ** * * *** * 4** * *5 ]" 1
36 1 6 ILE MG 1 8 GLN H 4.000 . 5.000 4.815 4.654 5.009 0.009 32 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
37 1 6 ILE MG 1 9 LYS QD 5.000 . 5.000 3.926 3.124 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
38 1 6 ILE MG 1 9 LYS QE 5.000 . 5.000 4.334 3.054 5.007 0.007 30 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
39 1 6 ILE MG 2 27 LEU HA 3.500 . 3.500 3.321 2.523 3.515 0.015 44 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
40 1 6 ILE MG 2 31 HIS HA 5.000 . 5.000 5.056 4.720 5.091 0.091 37 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
41 1 6 ILE MG 2 31 HIS QB 5.000 . 5.000 3.212 3.049 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
42 1 6 ILE MG 2 31 HIS HE1 5.000 . 5.000 2.091 1.976 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
43 1 7 GLU H 1 8 GLN H 2.800 . 2.800 2.717 2.680 2.805 0.005 30 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
44 1 7 GLU HA 1 8 GLN H 3.500 . 3.500 3.480 3.450 3.513 0.013 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
45 1 7 GLU HA 1 9 LYS H 5.000 . 5.000 4.460 4.293 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
46 1 7 GLU HA 1 10 ILE MD 5.000 . 5.000 2.073 1.924 2.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
47 1 7 GLU HA 1 10 ILE QG 5.000 . 5.000 2.039 1.900 2.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
48 1 7 GLU HA 2 27 LEU QB 5.000 . 5.000 4.981 4.760 5.035 0.035 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
49 1 7 GLU QG 1 10 ILE QG 5.000 . 5.000 3.205 2.980 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
50 1 7 GLU QG 1 11 ASP H 5.000 . 5.000 4.555 4.120 5.015 0.015 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
51 1 8 GLN H 1 9 LYS H 2.800 . 2.800 2.421 2.351 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
52 1 8 GLN H 1 10 ILE H 5.000 . 5.000 3.983 3.826 4.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
53 1 8 GLN HA 1 9 LYS H 3.500 . 3.500 3.517 3.490 3.532 0.032 10 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
54 1 8 GLN HA 1 11 ASP H 5.000 . 5.000 3.401 3.314 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
55 1 8 GLN HA 1 11 ASP QB 2.800 . 2.800 2.655 2.459 2.805 0.005 5 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
56 1 8 GLN HA 1 12 ASP H 5.000 . 5.000 4.624 4.522 4.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
57 1 8 GLN QB 1 9 LYS H 2.800 . 2.800 2.591 2.451 2.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
58 1 8 GLN QB 1 11 ASP H 5.000 . 5.000 5.011 4.972 5.068 0.068 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
59 1 8 GLN QG 1 9 LYS H 5.000 . 5.000 4.009 3.429 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
60 1 8 GLN QG 1 12 ASP H 4.000 . 5.000 4.797 4.380 5.009 0.009 7 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
61 1 9 LYS H 1 10 ILE H 2.800 . 2.800 2.683 2.636 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
62 1 9 LYS HA 1 10 ILE H 3.500 . 3.500 3.527 3.503 3.545 0.045 15 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
63 1 9 LYS HA 1 10 ILE HA 5.000 . 5.000 4.734 4.691 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
64 1 9 LYS HA 1 12 ASP H 5.000 . 5.000 3.757 3.679 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
65 1 9 LYS HA 1 12 ASP QB 3.500 . 3.500 3.143 2.966 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
66 1 9 LYS QB 1 10 ILE H 3.500 . 3.500 2.685 2.533 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
67 1 10 ILE H 1 11 ASP H 2.800 . 2.800 2.615 2.565 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
68 1 10 ILE H 1 12 ASP H 5.000 . 5.000 4.034 3.921 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
69 1 10 ILE HA 1 11 ASP H 5.000 . 5.000 3.554 3.542 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
70 1 10 ILE HA 1 13 ILE H 3.500 . 3.500 3.027 2.904 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
71 1 10 ILE HA 1 13 ILE HB 2.800 . 2.800 2.799 2.690 2.826 0.026 38 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
72 1 10 ILE HA 1 13 ILE MG 5.000 . 5.000 4.131 3.903 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
73 1 10 ILE HA 1 14 ASP H 5.000 . 5.000 3.930 3.752 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
74 1 10 ILE HA 2 24 ARG HA 3.000 . 3.500 3.520 3.431 3.568 0.068 39 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
75 1 10 ILE HA 2 27 LEU QB 5.000 . 5.000 3.966 3.834 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
76 1 10 ILE HB 1 11 ASP H 3.500 . 3.500 3.512 3.501 3.539 0.039 46 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
77 1 10 ILE HB 1 11 ASP HA 5.000 . 5.000 4.239 4.220 4.270 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
78 1 10 ILE HB 1 12 ASP H 5.000 . 5.000 5.125 5.103 5.144 0.144 24 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
79 1 10 ILE HB 1 14 ASP H 5.000 . 5.000 4.192 4.035 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
80 1 10 ILE HB 2 24 ARG HA 3.500 . 3.500 3.457 3.255 3.552 0.052 7 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
81 1 10 ILE HB 2 24 ARG HE 5.000 . 5.000 2.019 1.894 2.451 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
82 1 10 ILE HB 2 24 ARG QH 3.500 . 3.500 2.982 2.440 3.544 0.044 7 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
83 1 10 ILE MD 1 11 ASP H 5.000 . 5.000 3.627 3.603 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
84 1 10 ILE MD 2 24 ARG QH 5.000 . 5.000 2.360 2.087 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
85 1 10 ILE MD 2 28 VAL HA 3.500 . 3.500 3.426 3.151 3.541 0.041 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
86 1 10 ILE QG 1 11 ASP H 2.800 . 2.800 1.849 1.822 1.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
87 1 10 ILE QG 1 11 ASP HA 5.000 . 5.000 3.412 3.295 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
88 1 10 ILE QG 1 14 ASP H 5.000 . 5.000 5.034 4.990 5.058 0.058 17 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
89 1 10 ILE QG 2 24 ARG HE 3.500 . 3.500 3.266 3.047 3.521 0.021 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
90 1 10 ILE QG 2 24 ARG QH 3.500 . 3.500 2.651 1.941 3.539 0.039 39 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
91 1 10 ILE QG 2 31 HIS HD2 4.000 . 5.000 5.052 5.016 5.073 0.073 17 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
92 1 11 ASP H 1 12 ASP H 2.800 . 2.800 2.739 2.713 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
93 1 11 ASP HA 1 12 ASP H 4.000 . 5.000 3.487 3.482 3.493 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
94 1 11 ASP HA 1 14 ASP H 5.000 . 5.000 3.472 3.361 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
95 1 11 ASP HA 1 14 ASP QB 2.800 . 2.800 2.553 2.455 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
96 1 11 ASP HA 1 15 HIS H 5.000 . 5.000 4.569 4.529 4.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
97 1 11 ASP QB 1 12 ASP H 2.800 . 2.800 2.732 2.680 2.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
98 1 11 ASP QB 1 12 ASP HA 5.000 . 5.000 3.912 3.857 4.071 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
99 1 12 ASP H 1 13 ILE H 3.500 . 3.500 2.576 2.471 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
100 1 12 ASP H 1 13 ILE HB 5.000 . 5.000 4.835 4.769 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
101 1 12 ASP HA 1 15 HIS QB 3.500 . 3.500 3.149 3.019 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
102 1 12 ASP HA 1 16 GLU H 5.000 . 5.000 4.930 4.852 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
103 1 12 ASP QB 1 13 ILE H 3.500 . 3.500 2.495 2.369 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
104 1 13 ILE H 1 14 ASP H 2.800 . 2.800 2.727 2.693 2.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
105 1 13 ILE HA 1 14 ASP H 5.000 . 5.000 3.558 3.553 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
106 1 13 ILE HA 1 16 GLU H 3.500 . 3.500 3.095 3.048 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
107 1 13 ILE HA 1 16 GLU QB 2.800 . 2.800 2.815 2.758 2.829 0.029 35 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
108 1 13 ILE HA 1 16 GLU QG 5.000 . 5.000 2.563 2.311 2.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
109 1 13 ILE HA 1 17 ILE QG 5.000 . 5.000 3.637 3.553 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
110 1 13 ILE HA 2 20 LEU QD 5.000 . 5.000 4.076 3.890 4.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
111 1 13 ILE HB 1 14 ASP H 2.800 . 2.800 2.443 2.348 2.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
112 1 13 ILE HB 2 24 ARG QD 3.500 . 3.500 3.031 2.157 3.708 0.208 46 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
113 1 13 ILE HB 2 24 ARG QH 5.000 . 5.000 4.972 4.725 5.025 0.025 37 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
114 1 13 ILE MD 1 14 ASP H 5.000 . 5.000 4.473 4.140 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
115 1 13 ILE MD 2 20 LEU HA 5.000 . 5.000 4.526 4.354 5.004 0.004 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
116 1 13 ILE MD 2 23 LYS H 4.000 . 5.000 4.399 4.238 4.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
117 1 13 ILE MD 2 24 ARG H 3.500 . 3.500 3.313 3.087 3.493 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
118 1 13 ILE MD 2 24 ARG HA 2.800 . 2.800 2.508 1.942 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
119 1 13 ILE QG 1 16 GLU QG 5.000 . 5.000 4.191 3.809 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
120 1 13 ILE QG 2 24 ARG QD 5.000 . 5.000 4.809 4.055 5.052 0.052 38 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
121 1 13 ILE QG 2 24 ARG HE 5.000 . 5.000 4.958 4.646 5.013 0.013 39 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
122 1 13 ILE MG 1 14 ASP H 5.000 . 5.000 3.527 3.424 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
123 1 13 ILE MG 1 14 ASP HA 5.000 . 5.000 3.765 3.604 3.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
124 1 13 ILE MG 1 14 ASP QB 5.000 . 5.000 4.635 4.543 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
125 1 13 ILE MG 1 15 HIS H 4.000 . 5.000 4.701 4.667 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
126 1 13 ILE MG 1 16 GLU H 5.000 . 5.000 3.879 3.836 4.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
127 1 13 ILE MG 1 16 GLU QB 5.000 . 5.000 2.998 2.903 3.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
128 1 13 ILE MG 1 16 GLU QG 5.000 . 5.000 3.890 3.634 4.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
129 1 13 ILE MG 1 17 ILE H 3.000 . 3.500 3.254 3.205 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
130 1 13 ILE MG 2 20 LEU HA 5.000 . 5.000 3.030 2.824 3.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
131 1 13 ILE MG 2 21 GLN HA 5.000 . 5.000 3.823 3.635 3.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
132 1 13 ILE MG 2 24 ARG H 5.000 . 5.000 2.802 2.580 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
133 1 13 ILE MG 2 24 ARG HA 5.000 . 5.000 3.363 2.752 3.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
134 1 13 ILE MG 2 24 ARG QD 5.000 . 5.000 3.326 2.965 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
135 1 13 ILE MG 2 24 ARG HE 5.000 . 5.000 4.701 4.362 4.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
136 1 14 ASP H 1 15 HIS H 2.800 . 2.800 2.812 2.794 2.838 0.038 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
137 1 14 ASP H 1 16 GLU H 5.000 . 5.000 4.093 4.070 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
138 1 14 ASP H 1 16 GLU QG 5.000 . 5.000 4.873 4.771 4.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
139 1 14 ASP HA 1 17 ILE HB 2.800 . 2.800 2.802 2.765 2.825 0.025 46 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
140 1 14 ASP HA 1 17 ILE QG 3.500 . 3.500 3.158 3.032 3.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
141 1 14 ASP HA 1 17 ILE MG 5.000 . 5.000 4.099 4.064 4.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
142 1 14 ASP HA 2 24 ARG QB 5.000 . 5.000 4.165 3.794 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
143 1 14 ASP QB 1 15 HIS H 2.800 . 2.800 2.790 2.732 2.810 0.010 46 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
144 1 14 ASP QB 1 16 GLU H 5.000 . 5.000 4.604 4.560 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
145 1 14 ASP QB 2 24 ARG QH 3.000 . 3.500 2.792 1.973 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
146 1 15 HIS H 1 16 GLU H 2.800 . 2.800 2.412 2.398 2.440 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
147 1 15 HIS H 1 16 GLU HA 4.000 . 5.000 5.070 5.061 5.090 0.090 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
148 1 15 HIS H 1 16 GLU QB 5.000 . 5.000 4.692 4.659 4.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
149 1 15 HIS H 1 16 GLU QG 3.500 . 3.500 3.553 3.538 3.582 0.082 46 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
150 1 15 HIS H 1 18 ALA MB 5.000 . 5.000 5.016 5.005 5.030 0.030 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
151 1 15 HIS HA 1 16 GLU H 3.000 . 3.500 3.474 3.463 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
152 1 15 HIS HA 1 17 ILE H 5.000 . 5.000 4.444 4.364 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
153 1 15 HIS HA 1 18 ALA H 5.000 . 5.000 3.786 3.754 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
154 1 15 HIS HA 1 18 ALA MB 3.500 . 3.500 3.108 3.059 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
155 1 15 HIS QB 1 16 GLU H 2.800 . 2.800 2.828 2.811 2.851 0.051 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
156 1 15 HIS HE1 1 18 ALA MB 5.000 . 5.000 4.984 4.878 5.009 0.009 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
157 1 16 GLU H 1 17 ILE H 3.500 . 3.500 2.333 2.318 2.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
158 1 16 GLU H 1 17 ILE QG 3.500 . 3.500 3.579 3.559 3.592 0.092 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
159 1 16 GLU H 1 18 ALA H 5.000 . 5.000 3.903 3.855 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
160 1 16 GLU H 1 18 ALA MB 5.000 . 5.000 4.801 4.746 4.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
161 1 16 GLU HA 1 17 ILE H 5.000 . 5.000 3.497 3.484 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
162 1 16 GLU HA 1 19 ASP H 3.500 . 3.500 3.242 3.173 3.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
163 1 16 GLU HA 1 19 ASP QB 2.800 . 2.800 2.439 2.280 2.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
164 1 16 GLU QB 1 17 ILE H 3.500 . 3.500 2.718 2.635 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
165 1 16 GLU QB 1 17 ILE HA 5.000 . 5.000 3.860 3.840 3.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
166 1 16 GLU QB 1 17 ILE QG 3.500 . 3.500 3.085 3.050 3.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
167 1 16 GLU QB 1 20 LEU QD 3.000 . 3.500 3.522 3.423 3.549 0.049 38 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
168 1 17 ILE H 1 18 ALA H 3.500 . 3.500 2.585 2.556 2.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
169 1 17 ILE H 1 18 ALA MB 5.000 . 5.000 4.208 4.169 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
170 1 17 ILE H 1 19 ASP H 5.000 . 5.000 4.080 4.001 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
171 1 17 ILE HA 1 20 LEU H 5.000 . 5.000 3.982 3.918 4.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
172 1 17 ILE HA 1 20 LEU HG 3.500 . 3.500 3.226 3.069 3.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
173 1 17 ILE HA 2 20 LEU HA 5.000 . 5.000 5.031 5.022 5.044 0.044 24 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
174 1 17 ILE HA 2 20 LEU QB 2.800 . 2.800 2.140 2.109 2.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
175 1 17 ILE HA 2 20 LEU HG 3.500 . 3.500 3.430 3.277 3.510 0.010 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
176 1 17 ILE HA 2 21 GLN H 5.000 . 5.000 3.992 3.840 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
177 1 17 ILE HA 2 21 GLN HA 5.000 . 5.000 5.011 5.002 5.022 0.022 41 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
178 1 17 ILE HB 1 18 ALA H 2.800 . 2.800 2.767 2.687 2.806 0.006 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
179 1 17 ILE HB 1 18 ALA HA 5.000 . 5.000 4.200 4.175 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
180 1 17 ILE HB 1 18 ALA MB 5.000 . 5.000 3.863 3.757 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
181 1 17 ILE HB 2 21 GLN QG 5.000 . 5.000 4.524 4.028 5.003 0.003 38 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
182 1 17 ILE QG 2 20 LEU HA 3.500 . 3.500 3.448 3.403 3.501 0.001 26 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
183 1 17 ILE QG 2 21 GLN H 2.800 . 2.800 2.787 2.623 2.810 0.010 25 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
184 1 17 ILE QG 2 21 GLN HA 3.500 . 3.500 2.631 2.564 2.673 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
185 1 17 ILE QG 2 24 ARG QD 5.000 . 5.000 3.814 3.685 5.047 0.047 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
186 1 17 ILE MG 2 21 GLN H 3.500 . 3.500 2.470 2.176 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
187 1 17 ILE MG 2 21 GLN QE 5.000 . 5.000 3.925 2.108 4.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
188 1 17 ILE MG 2 21 GLN QG 3.500 . 3.500 2.449 2.045 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
189 1 17 ILE MG 2 24 ARG H 5.000 . 5.000 5.025 5.008 5.047 0.047 46 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
190 1 18 ALA H 1 19 ASP H 2.800 . 2.800 2.436 2.402 2.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
191 1 18 ALA H 1 20 LEU H 5.000 . 5.000 4.213 3.956 4.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
192 1 18 ALA H 1 20 LEU HG 5.000 . 5.000 5.025 5.012 5.043 0.043 9 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
193 1 18 ALA HA 1 19 ASP H 5.000 . 5.000 3.527 3.518 3.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
194 1 18 ALA HA 1 21 GLN H 3.500 . 3.500 3.425 3.318 3.512 0.012 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
195 1 18 ALA HA 1 21 GLN QB 2.800 . 2.800 2.637 2.491 2.823 0.023 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
196 1 18 ALA MB 1 19 ASP H 3.500 . 3.500 2.745 2.694 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
197 1 18 ALA MB 1 19 ASP HA 5.000 . 5.000 3.761 3.688 3.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
198 1 18 ALA MB 1 21 GLN H 4.000 . 5.000 4.679 4.583 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
199 1 19 ASP H 1 20 LEU H 2.800 . 2.800 2.813 2.724 2.835 0.035 18 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
200 1 19 ASP H 1 22 ALA MB 5.000 . 5.000 4.773 4.578 4.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
201 1 19 ASP HA 1 20 LEU H 5.000 . 5.000 3.544 3.503 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
202 1 19 ASP HA 1 22 ALA H 4.000 . 5.000 3.806 3.724 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
203 1 19 ASP HA 1 22 ALA MB 3.500 . 3.500 2.964 2.813 3.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
204 1 19 ASP QB 1 20 LEU H 2.800 . 2.800 2.561 2.437 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
205 1 20 LEU H 1 21 GLN H 2.800 . 2.800 2.697 2.641 2.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
206 1 20 LEU H 1 22 ALA H 5.000 . 5.000 4.008 3.929 4.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
207 1 20 LEU HA 1 21 GLN H 5.000 . 5.000 3.560 3.552 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
208 1 20 LEU HA 1 23 LYS H 3.500 . 3.500 3.268 3.167 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
209 1 20 LEU HA 1 23 LYS QE 3.000 . 3.500 3.299 2.481 3.515 0.015 19 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
210 1 20 LEU HA 1 24 ARG H 5.000 . 5.000 4.507 4.310 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
211 1 20 LEU HA 2 13 ILE MD 5.000 . 5.000 4.495 4.289 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
212 1 20 LEU HA 2 13 ILE MG 5.000 . 5.000 3.015 2.794 3.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
213 1 20 LEU HA 2 17 ILE HA 5.000 . 5.000 5.032 5.024 5.038 0.038 25 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
214 1 20 LEU HA 2 17 ILE QG 3.500 . 3.500 3.445 3.404 3.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
215 1 20 LEU QB 2 17 ILE HA 2.800 . 2.800 2.140 2.117 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
216 1 20 LEU QD 1 21 GLN H 5.000 . 5.000 3.869 3.843 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
217 1 20 LEU QD 1 23 LYS QE 5.000 . 5.000 3.012 2.483 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
218 1 20 LEU QD 2 13 ILE HA 5.000 . 5.000 4.070 3.821 4.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
219 1 20 LEU HG 1 21 GLN H 5.000 . 5.000 3.823 3.754 4.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
220 1 20 LEU HG 2 17 ILE HA 3.500 . 3.500 3.434 3.318 3.510 0.010 41 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
221 1 21 GLN H 1 22 ALA H 3.500 . 3.500 2.801 2.754 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
222 1 21 GLN H 1 22 ALA MB 5.000 . 5.000 4.433 4.384 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
223 1 21 GLN H 1 23 LYS H 5.000 . 5.000 4.208 4.042 4.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
224 1 21 GLN H 2 17 ILE HA 5.000 . 5.000 3.991 3.915 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
225 1 21 GLN H 2 17 ILE QG 2.800 . 2.800 2.786 2.679 2.811 0.011 31 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
226 1 21 GLN H 2 17 ILE MG 3.500 . 3.500 2.460 2.205 2.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
227 1 21 GLN HA 1 22 ALA H 3.500 . 3.500 3.507 3.485 3.537 0.037 22 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
228 1 21 GLN HA 1 22 ALA HA 5.000 . 5.000 4.754 4.730 4.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
229 1 21 GLN HA 1 24 ARG H 3.500 . 3.500 3.499 3.393 3.521 0.021 43 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
230 1 21 GLN HA 1 24 ARG QB 2.500 . 2.900 2.847 2.684 2.937 0.037 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
231 1 21 GLN HA 1 24 ARG QG 4.000 . 5.000 4.371 4.105 4.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
232 1 21 GLN HA 1 25 THR H 5.000 . 5.000 4.381 4.043 4.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
233 1 21 GLN HA 2 13 ILE MG 5.000 . 5.000 3.828 3.567 4.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
234 1 21 GLN HA 2 17 ILE HA 5.000 . 5.000 5.010 5.001 5.022 0.022 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
235 1 21 GLN HA 2 17 ILE QG 3.500 . 3.500 2.633 2.583 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
236 1 21 GLN QB 1 22 ALA H 2.800 . 2.800 2.721 2.498 2.809 0.009 20 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
237 1 21 GLN QE 2 17 ILE MG 5.000 . 5.000 3.839 2.119 4.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
238 1 21 GLN QG 1 22 ALA H 5.000 . 5.000 4.261 3.931 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
239 1 21 GLN QG 2 17 ILE HB 5.000 . 5.000 4.480 4.070 5.002 0.002 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
240 1 21 GLN QG 2 17 ILE MG 3.500 . 3.500 2.413 1.975 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
241 1 22 ALA H 1 23 LYS H 2.800 . 2.800 2.529 2.452 2.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
242 1 22 ALA H 1 23 LYS QB 5.000 . 5.000 4.390 4.150 4.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
243 1 22 ALA H 1 23 LYS QD 5.000 . 5.000 4.547 3.992 5.006 0.006 40 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
244 1 22 ALA HA 1 23 LYS H 3.500 . 3.500 3.504 3.480 3.542 0.042 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
245 1 22 ALA HA 1 25 THR H 5.000 . 5.000 3.530 3.362 3.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
246 1 22 ALA HA 1 25 THR HB 5.000 . 5.000 3.571 3.014 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
247 1 22 ALA HA 1 25 THR MG 5.000 . 5.000 4.403 4.072 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
248 1 22 ALA HA 1 26 ARG H 5.000 . 5.000 3.982 3.779 4.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
249 1 22 ALA HA 1 26 ARG QB 5.000 . 5.000 4.999 4.803 5.029 0.029 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
250 1 22 ALA HA 1 26 ARG QG 4.000 . 5.000 4.645 4.101 5.000 0.000 32 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
251 1 22 ALA MB 1 25 THR HB 5.000 . 5.000 4.660 4.298 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
252 1 23 LYS H 1 24 ARG H 2.800 . 2.800 2.567 2.478 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
253 1 23 LYS H 2 13 ILE MD 4.000 . 5.000 4.389 4.070 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
254 1 23 LYS HA 1 24 ARG H 3.500 . 3.500 3.508 3.496 3.528 0.028 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
255 1 23 LYS HA 1 25 THR H 5.000 . 5.000 4.588 4.463 4.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
256 1 23 LYS HA 1 26 ARG H 5.000 . 5.000 3.913 3.820 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
257 1 23 LYS HA 1 26 ARG QG 3.500 . 3.500 2.074 1.953 2.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
258 1 23 LYS HA 1 27 LEU H 5.000 . 5.000 4.214 4.039 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
259 1 23 LYS QB 1 24 ARG H 2.800 . 2.800 2.788 2.612 2.828 0.028 17 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
260 1 23 LYS QG 1 24 ARG H 5.000 . 5.000 4.381 3.798 4.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
261 1 24 ARG H 1 25 THR H 3.500 . 3.500 2.604 2.546 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
262 1 24 ARG H 2 13 ILE MD 3.500 . 3.500 3.320 2.997 3.502 0.002 14 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
263 1 24 ARG H 2 13 ILE MG 5.000 . 5.000 2.833 2.622 2.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
264 1 24 ARG H 2 17 ILE MG 5.000 . 5.000 5.026 5.012 5.043 0.043 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
265 1 24 ARG HA 1 25 THR H 5.000 . 5.000 3.548 3.534 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
266 1 24 ARG HA 1 26 ARG QG 5.000 . 5.000 4.244 4.061 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
267 1 24 ARG HA 1 27 LEU H 5.000 . 5.000 3.766 3.601 3.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
268 1 24 ARG HA 1 27 LEU QB 2.800 . 2.800 2.767 2.640 2.826 0.026 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
269 1 24 ARG HA 1 27 LEU QD 5.000 . 5.000 2.988 2.281 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
270 1 24 ARG HA 2 10 ILE HA 3.000 . 3.500 3.520 3.424 3.546 0.046 37 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
271 1 24 ARG HA 2 10 ILE HB 3.500 . 3.500 3.420 3.225 3.562 0.062 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
272 1 24 ARG HA 2 13 ILE MD 2.800 . 2.800 2.550 2.207 2.819 0.019 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
273 1 24 ARG HA 2 13 ILE MG 5.000 . 5.000 3.416 3.151 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
274 1 24 ARG QB 1 25 THR H 2.800 . 2.800 2.595 2.512 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
275 1 24 ARG QB 2 14 ASP HA 5.000 . 5.000 4.203 3.774 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
276 1 24 ARG QD 1 25 THR H 5.000 . 5.000 4.817 4.451 5.014 0.014 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
277 1 24 ARG QD 2 13 ILE HB 3.500 . 3.500 3.013 2.208 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
278 1 24 ARG QD 2 13 ILE QG 5.000 . 5.000 4.817 4.101 5.052 0.052 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
279 1 24 ARG QD 2 13 ILE MG 5.000 . 5.000 3.312 2.969 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
280 1 24 ARG QD 2 17 ILE QG 5.000 . 5.000 3.731 3.688 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
281 1 24 ARG HE 2 10 ILE HB 5.000 . 5.000 2.006 1.900 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
282 1 24 ARG HE 2 10 ILE QG 3.500 . 3.500 3.223 3.012 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
283 1 24 ARG HE 2 13 ILE QG 5.000 . 5.000 4.967 4.804 5.011 0.011 26 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
284 1 24 ARG HE 2 13 ILE MG 5.000 . 5.000 4.732 4.606 4.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
285 1 24 ARG QH 1 28 VAL QG 5.000 . 5.000 3.564 2.781 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
286 1 24 ARG QH 2 10 ILE HB 3.500 . 3.500 2.978 2.570 3.543 0.043 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
287 1 24 ARG QH 2 10 ILE MD 5.000 . 5.000 2.355 2.009 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
288 1 24 ARG QH 2 10 ILE QG 3.500 . 3.500 2.590 2.055 3.277 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
289 1 24 ARG QH 2 13 ILE HB 5.000 . 5.000 4.982 4.834 5.019 0.019 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
290 1 24 ARG QH 2 14 ASP QB 3.000 . 3.500 2.847 2.573 3.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
291 1 25 THR H 1 26 ARG H 2.800 . 2.800 2.825 2.802 2.855 0.055 18 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
292 1 25 THR H 1 28 VAL QG 5.000 . 5.000 3.829 3.656 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
293 1 25 THR HA 1 26 ARG H 5.000 . 5.000 3.569 3.558 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
294 1 25 THR HA 1 26 ARG HA 5.000 . 5.000 4.840 4.818 4.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
295 1 25 THR HA 1 27 LEU H 5.000 . 5.000 4.343 4.178 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
296 1 25 THR HA 1 28 VAL H 3.000 . 3.500 3.251 3.142 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
297 1 25 THR HA 1 28 VAL HB 2.800 . 2.800 2.793 2.371 2.827 0.027 16 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
298 1 25 THR HA 1 28 VAL QG 3.500 . 3.500 1.959 1.929 2.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
299 1 25 THR HB 1 26 ARG H 3.500 . 3.500 2.316 2.270 2.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
300 1 25 THR HB 1 28 VAL H 5.000 . 5.000 5.067 5.042 5.083 0.083 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
301 1 25 THR HG1 1 29 GLN H 5.000 . 5.000 4.266 3.627 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
302 1 25 THR MG 1 26 ARG H 5.000 . 5.000 3.796 3.662 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
303 1 25 THR MG 1 26 ARG HA 5.000 . 5.000 4.338 4.012 4.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
304 1 25 THR MG 1 26 ARG QB 5.000 . 5.000 5.006 4.823 5.022 0.022 43 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
305 1 25 THR MG 1 28 VAL H 5.000 . 5.000 4.584 4.437 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
306 1 25 THR MG 1 28 VAL HB 5.000 . 5.000 3.432 3.248 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
307 1 25 THR MG 1 29 GLN QB 5.000 . 5.000 4.734 3.297 5.004 0.004 6 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
308 1 25 THR MG 1 29 GLN QE 5.000 . 5.000 2.680 1.930 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
309 1 25 THR MG 1 29 GLN QG 5.000 . 5.000 4.086 3.137 5.002 0.002 50 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
310 1 26 ARG H 1 27 LEU H 2.800 . 2.800 2.829 2.787 2.849 0.049 3 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
311 1 26 ARG H 1 28 VAL H 5.000 . 5.000 4.115 3.965 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
312 1 26 ARG QB 1 27 LEU H 3.500 . 3.500 3.346 3.239 3.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
313 1 26 ARG QG 1 27 LEU H 2.800 . 2.800 1.970 1.834 2.082 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
314 1 27 LEU H 1 28 VAL H 2.800 . 2.800 2.596 2.468 2.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
315 1 27 LEU H 1 28 VAL QG 5.000 . 5.000 3.919 3.843 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
316 1 27 LEU HA 1 28 VAL H 4.000 . 5.000 3.525 3.505 3.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
317 1 27 LEU HA 1 28 VAL QG 5.000 . 5.000 4.707 4.671 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
318 1 27 LEU HA 1 30 GLN QG 5.000 . 5.000 3.882 2.047 4.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
319 1 27 LEU HA 1 31 HIS HE1 5.000 . 5.000 4.272 3.973 5.125 0.125 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
320 1 27 LEU HA 2 6 ILE MG 3.500 . 3.500 3.209 2.514 3.533 0.033 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
321 1 27 LEU QB 1 28 VAL H 2.800 . 2.800 2.740 2.657 2.838 0.038 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
322 1 27 LEU QB 2 7 GLU HA 5.000 . 5.000 4.970 4.659 5.022 0.022 40 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
323 1 27 LEU QB 2 10 ILE HA 5.000 . 5.000 3.983 3.887 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
324 1 27 LEU QD 1 31 HIS HE1 5.000 . 5.000 3.474 2.810 5.004 0.004 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
325 1 27 LEU QD 2 6 ILE HA 3.500 . 3.500 3.239 2.381 3.508 0.008 45 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
326 1 28 VAL H 1 29 GLN H 2.800 . 2.800 2.657 2.593 2.719 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
327 1 28 VAL HA 1 29 GLN H 3.500 . 3.500 3.539 3.529 3.559 0.059 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
328 1 28 VAL HA 1 31 HIS H 5.000 . 5.000 3.056 2.973 3.139 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
329 1 28 VAL HA 1 31 HIS QB 4.000 . 5.000 4.565 2.449 4.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
330 1 28 VAL HA 2 10 ILE MD 3.500 . 3.500 3.426 3.247 3.559 0.059 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
331 1 28 VAL HB 1 29 GLN H 2.800 . 2.800 2.477 2.338 2.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
332 1 28 VAL HB 1 30 GLN H 5.000 . 5.000 4.733 4.625 4.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
333 1 28 VAL HB 1 31 HIS H 5.000 . 5.000 5.083 5.046 5.102 0.102 35 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
334 1 28 VAL QG 1 29 GLN H 5.000 . 5.000 3.209 3.112 3.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
335 1 28 VAL QG 1 29 GLN HA 5.000 . 5.000 3.618 3.494 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
336 1 28 VAL QG 1 29 GLN QE 5.000 . 5.000 4.154 2.631 4.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
337 1 28 VAL QG 1 30 GLN H 5.000 . 5.000 4.318 4.256 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
338 1 28 VAL QG 1 32 PRO QD 5.000 . 5.000 4.222 3.879 5.087 0.087 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
339 1 29 GLN H 1 30 GLN H 2.800 . 2.800 2.696 2.668 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
340 1 29 GLN H 1 31 HIS H 5.000 . 5.000 4.084 3.903 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
341 1 29 GLN HA 1 31 HIS H 5.000 . 5.000 4.117 3.915 4.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
342 1 29 GLN QG 1 32 PRO QB 5.000 . 5.000 4.621 4.117 5.011 0.011 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
343 1 30 GLN H 1 31 HIS H 2.800 . 2.800 2.481 2.419 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
344 1 30 GLN HA 1 31 HIS H 3.500 . 3.500 3.501 3.450 3.512 0.012 10 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
345 1 30 GLN HA 1 32 PRO QD 5.000 . 5.000 3.668 2.970 4.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
346 1 30 GLN QB 1 31 HIS H 2.800 . 2.800 2.806 2.763 2.877 0.077 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
347 1 30 GLN QB 1 31 HIS HE1 5.000 . 5.000 4.394 3.688 4.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
348 1 31 HIS H 1 32 PRO QD 5.000 . 5.000 2.864 2.531 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
349 1 31 HIS H 2 6 ILE MD 5.000 . 5.000 4.082 3.464 5.017 0.017 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
350 1 31 HIS HA 1 32 PRO QD 2.800 . 2.800 2.154 1.950 2.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
351 1 31 HIS HA 1 32 PRO QG 5.000 . 5.000 4.031 3.817 4.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
352 1 31 HIS HA 2 6 ILE MD 5.000 . 5.000 3.969 3.661 5.180 0.180 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
353 1 31 HIS HA 2 6 ILE MG 5.000 . 5.000 5.060 4.984 5.094 0.094 20 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
354 1 31 HIS QB 2 6 ILE MD 5.000 . 5.000 2.116 1.802 4.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
355 1 31 HIS QB 2 6 ILE MG 5.000 . 5.000 3.267 3.059 3.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
356 1 31 HIS HD2 2 6 ILE HB 4.000 . 5.000 3.706 3.436 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
357 1 31 HIS HD2 2 10 ILE QG 4.000 . 5.000 5.056 5.008 5.070 0.070 44 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
358 1 31 HIS HE1 2 6 ILE HB 3.000 . 3.500 3.510 1.971 3.588 0.088 16 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
359 1 31 HIS HE1 2 6 ILE MD 5.000 . 5.000 4.470 1.761 5.004 0.039 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
360 1 31 HIS HE1 2 6 ILE MG 5.000 . 5.000 2.102 1.979 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
361 1 32 PRO HA 1 33 ARG H 3.500 . 3.500 3.284 2.299 3.547 0.047 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
362 1 32 PRO QB 1 33 ARG H 4.000 . 5.000 3.155 1.973 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
363 1 32 PRO QD 1 33 ARG QG 5.000 . 5.000 4.372 3.021 5.017 0.017 8 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
364 1 32 PRO QG 1 33 ARG H 5.000 . 5.000 2.805 1.948 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
365 1 32 PRO QG 1 33 ARG QD 2.800 . 2.800 2.246 1.828 2.805 0.005 6 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
366 2 1 CYS QB 2 2 GLY QA 5.000 . 5.000 3.868 3.403 4.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
367 2 2 GLY QA 2 6 ILE QG 5.000 . 5.000 4.697 3.761 5.142 0.142 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
368 2 4 ASP H 2 5 ASN H 2.800 . 2.800 2.557 1.958 2.837 0.037 43 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
369 2 4 ASP H 2 7 GLU QB 5.000 . 5.000 4.553 2.474 5.022 0.022 16 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
370 2 4 ASP HA 2 5 ASN H 3.000 . 3.500 3.167 3.068 3.513 0.013 40 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
371 2 4 ASP HA 2 7 GLU QB 4.000 . 5.000 3.145 2.572 5.177 0.177 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
372 2 4 ASP QB 2 5 ASN H 3.500 . 3.500 3.363 1.856 3.635 0.135 22 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
373 2 4 ASP QB 2 7 GLU H 3.000 . 3.500 3.526 2.833 3.657 0.157 43 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
374 2 5 ASN H 2 6 ILE H 3.500 . 3.500 2.557 1.838 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
375 2 5 ASN H 2 6 ILE HB 5.000 . 5.000 4.948 4.102 5.099 0.099 8 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
376 2 5 ASN H 2 6 ILE MD 5.000 . 5.000 4.431 3.137 5.065 0.065 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
377 2 5 ASN H 2 8 GLN QB 5.000 . 5.000 4.924 4.114 5.052 0.052 48 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
378 2 5 ASN HA 2 8 GLN QB 3.000 . 3.500 3.061 2.685 3.564 0.064 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
379 2 5 ASN QB 2 6 ILE H 5.000 . 5.000 2.860 2.497 3.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
380 2 5 ASN QB 2 6 ILE QG 5.000 . 5.000 3.077 2.868 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
381 2 5 ASN QD 2 8 GLN QB 5.000 . 5.000 3.680 3.097 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
382 2 5 ASN QD 2 8 GLN QG 4.000 . 5.000 4.792 4.364 5.021 0.021 45 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
383 2 6 ILE H 2 7 GLU H 2.800 . 2.800 2.437 1.876 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
384 2 6 ILE H 2 8 GLN H 5.000 . 5.000 3.778 2.622 4.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
385 2 6 ILE HA 2 7 GLU H 3.500 . 3.500 3.532 3.515 3.552 0.052 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
386 2 6 ILE HA 2 9 LYS H 3.500 . 3.500 3.220 3.113 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
387 2 6 ILE HA 2 9 LYS QB 2.800 . 2.800 2.545 2.223 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
388 2 6 ILE HA 2 9 LYS QD 5.000 . 5.000 3.797 2.344 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
389 2 6 ILE HA 2 10 ILE H 5.000 . 5.000 4.227 3.766 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
390 2 6 ILE HB 2 7 GLU H 2.800 . 2.800 2.434 2.199 2.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
391 2 6 ILE MG 2 7 GLU H 3.500 . 3.500 3.559 3.043 3.632 0.132 40 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
392 2 6 ILE MG 2 7 GLU HA 5.000 . 5.000 3.738 3.216 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
393 2 6 ILE MG 2 7 GLU QG 5.000 . 5.000 4.930 4.375 5.041 0.041 36 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
394 2 6 ILE MG 2 8 GLN H 4.000 . 5.000 4.784 4.668 5.009 0.009 43 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
395 2 6 ILE MG 2 9 LYS QD 5.000 . 5.000 4.079 3.215 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
396 2 6 ILE MG 2 9 LYS QE 5.000 . 5.000 4.237 3.132 5.010 0.010 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
397 2 7 GLU H 2 8 GLN H 2.800 . 2.800 2.706 2.663 2.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
398 2 7 GLU HA 2 8 GLN H 3.500 . 3.500 3.479 3.447 3.516 0.016 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
399 2 7 GLU HA 2 9 LYS H 5.000 . 5.000 4.493 4.331 4.624 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
400 2 7 GLU HA 2 10 ILE MD 5.000 . 5.000 2.002 1.919 2.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
401 2 7 GLU HA 2 10 ILE QG 5.000 . 5.000 1.985 1.909 2.322 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
402 2 7 GLU QG 2 10 ILE QG 5.000 . 5.000 3.213 3.033 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
403 2 7 GLU QG 2 11 ASP H 5.000 . 5.000 4.828 4.471 5.015 0.015 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
404 2 8 GLN H 2 9 LYS H 2.800 . 2.800 2.426 2.373 2.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
405 2 8 GLN H 2 10 ILE H 5.000 . 5.000 3.941 3.836 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
406 2 8 GLN HA 2 9 LYS H 3.500 . 3.500 3.521 3.499 3.540 0.040 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
407 2 8 GLN HA 2 11 ASP H 5.000 . 5.000 3.420 3.331 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
408 2 8 GLN HA 2 11 ASP QB 2.800 . 2.800 2.670 2.472 2.802 0.002 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
409 2 8 GLN HA 2 12 ASP H 5.000 . 5.000 4.622 4.516 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
410 2 8 GLN QB 2 9 LYS H 2.800 . 2.800 2.566 2.404 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
411 2 8 GLN QB 2 11 ASP H 5.000 . 5.000 5.015 4.991 5.096 0.096 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
412 2 8 GLN QG 2 9 LYS H 5.000 . 5.000 4.037 3.646 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
413 2 8 GLN QG 2 12 ASP H 4.000 . 5.000 4.885 4.478 5.011 0.011 31 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
414 2 9 LYS H 2 10 ILE H 2.800 . 2.800 2.672 2.636 2.742 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
415 2 9 LYS HA 2 10 ILE H 3.500 . 3.500 3.525 3.507 3.541 0.041 13 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
416 2 9 LYS HA 2 10 ILE HA 5.000 . 5.000 4.731 4.701 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
417 2 9 LYS HA 2 12 ASP H 5.000 . 5.000 3.754 3.702 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
418 2 9 LYS HA 2 12 ASP QB 3.500 . 3.500 3.117 2.926 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
419 2 9 LYS QB 2 10 ILE H 3.500 . 3.500 2.702 2.530 2.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
420 2 10 ILE H 2 11 ASP H 2.800 . 2.800 2.611 2.586 2.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
421 2 10 ILE H 2 12 ASP H 5.000 . 5.000 4.026 3.978 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
422 2 10 ILE HA 2 11 ASP H 5.000 . 5.000 3.555 3.550 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
423 2 10 ILE HA 2 13 ILE H 3.500 . 3.500 3.030 2.960 3.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
424 2 10 ILE HA 2 13 ILE HB 2.800 . 2.800 2.801 2.740 2.819 0.019 44 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
425 2 10 ILE HA 2 13 ILE MG 5.000 . 5.000 4.134 4.053 4.211 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
426 2 10 ILE HA 2 14 ASP H 5.000 . 5.000 3.937 3.779 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
427 2 10 ILE HB 2 11 ASP H 3.500 . 3.500 3.511 3.497 3.526 0.026 49 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
428 2 10 ILE HB 2 11 ASP HA 5.000 . 5.000 4.240 4.219 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
429 2 10 ILE HB 2 12 ASP H 5.000 . 5.000 5.128 5.107 5.147 0.147 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
430 2 10 ILE HB 2 14 ASP H 5.000 . 5.000 4.208 4.099 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
431 2 10 ILE MD 2 11 ASP H 5.000 . 5.000 3.628 3.613 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
432 2 10 ILE QG 2 11 ASP H 2.800 . 2.800 1.850 1.833 1.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
433 2 10 ILE QG 2 11 ASP HA 5.000 . 5.000 3.406 3.276 3.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
434 2 10 ILE QG 2 14 ASP H 5.000 . 5.000 5.033 5.004 5.052 0.052 19 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
435 2 11 ASP H 2 12 ASP H 2.800 . 2.800 2.738 2.712 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
436 2 11 ASP HA 2 12 ASP H 4.000 . 5.000 3.487 3.482 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
437 2 11 ASP HA 2 14 ASP H 5.000 . 5.000 3.460 3.341 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
438 2 11 ASP HA 2 14 ASP QB 2.800 . 2.800 2.534 2.394 2.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
439 2 11 ASP HA 2 15 HIS H 5.000 . 5.000 4.578 4.524 4.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
440 2 11 ASP QB 2 12 ASP H 2.800 . 2.800 2.733 2.666 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
441 2 11 ASP QB 2 12 ASP HA 5.000 . 5.000 3.920 3.858 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
442 2 12 ASP H 2 13 ILE H 3.500 . 3.500 2.579 2.527 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
443 2 12 ASP H 2 13 ILE HB 5.000 . 5.000 4.838 4.807 4.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
444 2 12 ASP HA 2 15 HIS QB 3.500 . 3.500 3.162 3.093 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
445 2 12 ASP HA 2 16 GLU H 5.000 . 5.000 4.937 4.907 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
446 2 12 ASP QB 2 13 ILE H 3.500 . 3.500 2.498 2.374 2.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
447 2 13 ILE H 2 14 ASP H 2.800 . 2.800 2.723 2.689 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
448 2 13 ILE HA 2 14 ASP H 5.000 . 5.000 3.557 3.549 3.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
449 2 13 ILE HA 2 16 GLU H 3.500 . 3.500 3.088 3.052 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
450 2 13 ILE HA 2 16 GLU QB 2.800 . 2.800 2.814 2.796 2.830 0.030 18 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
451 2 13 ILE HA 2 16 GLU QG 5.000 . 5.000 2.563 2.362 2.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
452 2 13 ILE HA 2 17 ILE QG 5.000 . 5.000 3.639 3.567 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
453 2 13 ILE HB 2 14 ASP H 2.800 . 2.800 2.453 2.406 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
454 2 13 ILE MD 2 14 ASP H 5.000 . 5.000 4.485 4.373 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
455 2 13 ILE QG 2 16 GLU QG 5.000 . 5.000 4.196 3.791 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
456 2 13 ILE MG 2 14 ASP H 5.000 . 5.000 3.533 3.469 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
457 2 13 ILE MG 2 14 ASP HA 5.000 . 5.000 3.766 3.615 3.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
458 2 13 ILE MG 2 14 ASP QB 5.000 . 5.000 4.643 4.592 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
459 2 13 ILE MG 2 15 HIS H 4.000 . 5.000 4.704 4.662 4.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
460 2 13 ILE MG 2 16 GLU H 5.000 . 5.000 3.877 3.826 4.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
461 2 13 ILE MG 2 16 GLU QB 5.000 . 5.000 2.987 2.908 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
462 2 13 ILE MG 2 16 GLU QG 5.000 . 5.000 3.887 3.591 4.139 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
463 2 13 ILE MG 2 17 ILE H 3.000 . 3.500 3.256 3.192 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
464 2 14 ASP H 2 15 HIS H 2.800 . 2.800 2.811 2.796 2.841 0.041 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
465 2 14 ASP H 2 16 GLU H 5.000 . 5.000 4.092 4.060 4.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
466 2 14 ASP H 2 16 GLU QG 5.000 . 5.000 4.868 4.754 4.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
467 2 14 ASP HA 2 17 ILE HB 2.800 . 2.800 2.803 2.759 2.815 0.015 36 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
468 2 14 ASP HA 2 17 ILE QG 3.500 . 3.500 3.159 3.084 3.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
469 2 14 ASP HA 2 17 ILE MG 5.000 . 5.000 4.098 4.071 4.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
470 2 14 ASP QB 2 15 HIS H 2.800 . 2.800 2.788 2.734 2.810 0.010 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
471 2 14 ASP QB 2 16 GLU H 5.000 . 5.000 4.603 4.564 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
472 2 15 HIS H 2 16 GLU H 2.800 . 2.800 2.413 2.396 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
473 2 15 HIS H 2 16 GLU HA 4.000 . 5.000 5.071 5.061 5.097 0.097 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
474 2 15 HIS H 2 16 GLU QB 5.000 . 5.000 4.696 4.677 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
475 2 15 HIS H 2 16 GLU QG 3.500 . 3.500 3.550 3.535 3.564 0.064 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
476 2 15 HIS H 2 18 ALA MB 5.000 . 5.000 5.017 5.008 5.030 0.030 37 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
477 2 15 HIS HA 2 16 GLU H 3.000 . 3.500 3.475 3.468 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
478 2 15 HIS HA 2 17 ILE H 5.000 . 5.000 4.437 4.376 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
479 2 15 HIS HA 2 18 ALA H 5.000 . 5.000 3.786 3.746 3.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
480 2 15 HIS HA 2 18 ALA MB 3.500 . 3.500 3.095 3.046 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
481 2 15 HIS QB 2 16 GLU H 2.800 . 2.800 2.827 2.815 2.839 0.039 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
482 2 15 HIS HE1 2 18 ALA MB 5.000 . 5.000 4.982 4.899 5.009 0.009 31 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
483 2 16 GLU H 2 17 ILE H 3.500 . 3.500 2.334 2.319 2.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
484 2 16 GLU H 2 17 ILE QG 3.500 . 3.500 3.580 3.562 3.596 0.096 27 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
485 2 16 GLU H 2 18 ALA H 5.000 . 5.000 3.911 3.868 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
486 2 16 GLU H 2 18 ALA MB 5.000 . 5.000 4.799 4.752 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
487 2 16 GLU HA 2 17 ILE H 5.000 . 5.000 3.497 3.488 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
488 2 16 GLU HA 2 19 ASP H 3.500 . 3.500 3.246 3.200 3.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
489 2 16 GLU HA 2 19 ASP QB 2.800 . 2.800 2.458 2.273 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
490 2 16 GLU QB 2 17 ILE H 3.500 . 3.500 2.725 2.633 2.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
491 2 16 GLU QB 2 17 ILE QG 3.500 . 3.500 3.089 3.057 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
492 2 16 GLU QB 2 20 LEU QD 3.000 . 3.500 3.525 3.418 3.555 0.055 38 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
493 2 17 ILE H 2 18 ALA H 3.500 . 3.500 2.585 2.561 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
494 2 17 ILE H 2 18 ALA MB 5.000 . 5.000 4.205 4.181 4.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
495 2 17 ILE H 2 19 ASP H 5.000 . 5.000 4.080 4.011 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
496 2 17 ILE HA 2 18 ALA MB 5.000 . 5.000 4.991 4.980 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
497 2 17 ILE HA 2 20 LEU H 5.000 . 5.000 3.978 3.943 4.011 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
498 2 17 ILE HA 2 20 LEU HG 3.500 . 3.500 3.214 3.074 3.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
499 2 17 ILE HB 2 18 ALA H 2.800 . 2.800 2.761 2.687 2.809 0.009 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
500 2 17 ILE HB 2 18 ALA HA 5.000 . 5.000 4.200 4.175 4.227 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
501 2 17 ILE HB 2 18 ALA MB 5.000 . 5.000 3.872 3.786 3.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
502 2 18 ALA H 2 19 ASP H 2.800 . 2.800 2.441 2.409 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
503 2 18 ALA H 2 20 LEU H 5.000 . 5.000 4.215 4.034 4.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
504 2 18 ALA H 2 20 LEU HG 5.000 . 5.000 5.023 5.006 5.043 0.043 36 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
505 2 18 ALA HA 2 19 ASP H 5.000 . 5.000 3.528 3.515 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
506 2 18 ALA HA 2 21 GLN H 3.500 . 3.500 3.426 3.338 3.505 0.005 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
507 2 18 ALA HA 2 21 GLN QB 2.800 . 2.800 2.642 2.521 2.806 0.006 41 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
508 2 18 ALA MB 2 19 ASP H 3.500 . 3.500 2.746 2.625 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
509 2 18 ALA MB 2 19 ASP HA 5.000 . 5.000 3.766 3.706 3.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
510 2 18 ALA MB 2 21 GLN H 4.000 . 5.000 4.679 4.604 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
511 2 19 ASP H 2 20 LEU H 2.800 . 2.800 2.814 2.799 2.831 0.031 30 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
512 2 19 ASP H 2 22 ALA MB 5.000 . 5.000 4.795 4.643 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
513 2 19 ASP HA 2 20 LEU H 5.000 . 5.000 3.544 3.525 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
514 2 19 ASP HA 2 22 ALA H 4.000 . 5.000 3.808 3.743 4.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
515 2 19 ASP HA 2 22 ALA MB 3.500 . 3.500 2.984 2.800 3.161 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
516 2 19 ASP QB 2 20 LEU H 2.800 . 2.800 2.559 2.385 2.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
517 2 20 LEU H 2 21 GLN H 2.800 . 2.800 2.698 2.650 2.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
518 2 20 LEU H 2 22 ALA H 5.000 . 5.000 4.010 3.929 4.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
519 2 20 LEU HA 2 21 GLN H 5.000 . 5.000 3.560 3.554 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
520 2 20 LEU HA 2 23 LYS H 3.500 . 3.500 3.270 3.155 3.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
521 2 20 LEU HA 2 23 LYS QE 3.000 . 3.500 3.295 1.918 3.516 0.016 51 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
522 2 20 LEU HA 2 24 ARG H 5.000 . 5.000 4.496 4.192 4.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
523 2 20 LEU QD 2 21 GLN H 5.000 . 5.000 3.872 3.835 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
524 2 20 LEU QD 2 23 LYS QE 5.000 . 5.000 3.008 2.207 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
525 2 20 LEU HG 2 21 GLN H 5.000 . 5.000 3.824 3.743 4.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
526 2 21 GLN H 2 22 ALA H 3.500 . 3.500 2.803 2.740 2.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
527 2 21 GLN H 2 22 ALA MB 5.000 . 5.000 4.444 4.379 4.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
528 2 21 GLN H 2 23 LYS H 5.000 . 5.000 4.219 4.092 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
529 2 21 GLN HA 2 22 ALA H 3.500 . 3.500 3.506 3.487 3.544 0.044 37 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
530 2 21 GLN HA 2 22 ALA HA 5.000 . 5.000 4.755 4.724 4.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
531 2 21 GLN HA 2 24 ARG H 3.500 . 3.500 3.500 3.404 3.526 0.026 36 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
532 2 21 GLN HA 2 24 ARG QB 2.500 . 2.900 2.848 2.554 2.932 0.032 7 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
533 2 21 GLN HA 2 24 ARG QG 4.000 . 5.000 4.396 3.888 4.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
534 2 21 GLN HA 2 25 THR H 5.000 . 5.000 4.377 4.114 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
535 2 21 GLN QB 2 22 ALA H 2.800 . 2.800 2.722 2.447 2.806 0.006 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
536 2 21 GLN QG 2 22 ALA H 5.000 . 5.000 4.221 3.946 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
537 2 22 ALA H 2 23 LYS H 2.800 . 2.800 2.531 2.453 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
538 2 22 ALA H 2 23 LYS QB 5.000 . 5.000 4.385 4.169 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
539 2 22 ALA H 2 23 LYS QD 5.000 . 5.000 4.555 3.959 5.003 0.003 41 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
540 2 22 ALA HA 2 23 LYS H 3.500 . 3.500 3.505 3.477 3.549 0.049 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
541 2 22 ALA HA 2 25 THR H 5.000 . 5.000 3.530 3.367 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
542 2 22 ALA HA 2 25 THR HB 5.000 . 5.000 3.580 2.953 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
543 2 22 ALA HA 2 25 THR MG 5.000 . 5.000 4.405 4.063 4.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
544 2 22 ALA HA 2 26 ARG H 5.000 . 5.000 3.995 3.778 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
545 2 22 ALA HA 2 26 ARG QB 5.000 . 5.000 4.996 4.697 5.025 0.025 25 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
546 2 22 ALA HA 2 26 ARG QG 4.000 . 5.000 4.695 4.150 5.004 0.004 42 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
547 2 22 ALA MB 2 25 THR HB 5.000 . 5.000 4.666 4.227 4.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
548 2 23 LYS H 2 24 ARG H 2.800 . 2.800 2.566 2.401 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
549 2 23 LYS HA 2 24 ARG H 3.500 . 3.500 3.507 3.494 3.537 0.037 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
550 2 23 LYS HA 2 25 THR H 5.000 . 5.000 4.574 4.262 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
551 2 23 LYS HA 2 26 ARG H 5.000 . 5.000 3.903 3.776 4.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
552 2 23 LYS HA 2 26 ARG QG 3.500 . 3.500 2.077 1.880 2.278 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
553 2 23 LYS HA 2 27 LEU H 5.000 . 5.000 4.229 3.958 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
554 2 23 LYS QB 2 24 ARG H 2.800 . 2.800 2.789 2.570 2.824 0.024 45 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
555 2 23 LYS QG 2 24 ARG H 5.000 . 5.000 4.400 3.843 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
556 2 24 ARG H 2 25 THR H 3.500 . 3.500 2.603 2.535 2.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
557 2 24 ARG HA 2 25 THR H 5.000 . 5.000 3.548 3.517 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
558 2 24 ARG HA 2 26 ARG QG 5.000 . 5.000 4.254 4.106 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
559 2 24 ARG HA 2 27 LEU H 5.000 . 5.000 3.768 3.666 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
560 2 24 ARG HA 2 27 LEU QB 2.800 . 2.800 2.775 2.640 2.863 0.063 39 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
561 2 24 ARG HA 2 27 LEU QD 5.000 . 5.000 3.093 2.256 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
562 2 24 ARG QB 2 25 THR H 2.800 . 2.800 2.594 2.418 2.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
563 2 24 ARG QD 2 25 THR H 5.000 . 5.000 4.782 4.194 5.012 0.012 13 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
564 2 24 ARG QH 2 28 VAL QG 5.000 . 5.000 3.508 2.348 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
565 2 25 THR H 2 26 ARG H 2.800 . 2.800 2.820 2.705 2.853 0.053 29 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
566 2 25 THR H 2 28 VAL QG 5.000 . 5.000 3.834 3.727 3.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
567 2 25 THR HA 2 26 ARG H 5.000 . 5.000 3.569 3.561 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
568 2 25 THR HA 2 26 ARG HA 5.000 . 5.000 4.840 4.825 4.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
569 2 25 THR HA 2 27 LEU H 5.000 . 5.000 4.330 4.060 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
570 2 25 THR HA 2 28 VAL H 3.000 . 3.500 3.247 3.104 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
571 2 25 THR HA 2 28 VAL HB 2.800 . 2.800 2.800 2.287 2.848 0.048 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
572 2 25 THR HA 2 28 VAL QG 3.500 . 3.500 1.956 1.926 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
573 2 25 THR HB 2 26 ARG H 3.500 . 3.500 2.320 2.237 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
574 2 25 THR HB 2 28 VAL H 5.000 . 5.000 5.067 5.046 5.088 0.088 35 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
575 2 25 THR HG1 2 29 GLN H 5.000 . 5.000 4.253 3.420 4.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
576 2 25 THR MG 2 26 ARG H 5.000 . 5.000 3.799 3.623 3.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
577 2 25 THR MG 2 26 ARG HA 5.000 . 5.000 4.342 4.033 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
578 2 25 THR MG 2 26 ARG QB 5.000 . 5.000 5.004 4.758 5.018 0.018 32 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
579 2 25 THR MG 2 28 VAL H 5.000 . 5.000 4.577 4.360 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
580 2 25 THR MG 2 28 VAL HB 5.000 . 5.000 3.427 3.190 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
581 2 25 THR MG 2 29 GLN QB 5.000 . 5.000 4.675 3.161 5.007 0.007 33 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
582 2 25 THR MG 2 29 GLN QE 5.000 . 5.000 2.827 1.910 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
583 2 25 THR MG 2 29 GLN QG 5.000 . 5.000 4.196 3.131 5.001 0.001 6 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
584 2 26 ARG H 2 27 LEU H 2.800 . 2.800 2.829 2.804 2.844 0.044 8 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
585 2 26 ARG H 2 28 VAL H 5.000 . 5.000 4.120 4.041 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
586 2 26 ARG QB 2 27 LEU H 3.500 . 3.500 3.358 3.243 3.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
587 2 26 ARG QG 2 27 LEU H 2.800 . 2.800 1.971 1.875 2.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
588 2 27 LEU H 2 28 VAL H 2.800 . 2.800 2.591 2.400 2.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
589 2 27 LEU H 2 28 VAL QG 5.000 . 5.000 3.910 3.834 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
590 2 27 LEU HA 2 28 VAL H 4.000 . 5.000 3.525 3.511 3.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
591 2 27 LEU HA 2 28 VAL QG 5.000 . 5.000 4.704 4.673 4.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
592 2 27 LEU HA 2 30 GLN QG 5.000 . 5.000 3.950 2.049 4.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
593 2 27 LEU HA 2 31 HIS HE1 5.000 . 5.000 4.198 3.986 5.122 0.122 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
594 2 27 LEU QB 2 28 VAL H 2.800 . 2.800 2.740 2.654 2.825 0.025 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
595 2 27 LEU QD 2 31 HIS HE1 5.000 . 5.000 3.308 2.372 5.026 0.026 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
596 2 28 VAL H 2 29 GLN H 2.800 . 2.800 2.656 2.600 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
597 2 28 VAL HA 2 29 GLN H 3.500 . 3.500 3.539 3.530 3.561 0.061 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
598 2 28 VAL HA 2 31 HIS H 5.000 . 5.000 3.060 2.999 3.177 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
599 2 28 VAL HA 2 31 HIS QB 4.000 . 5.000 4.623 2.539 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
600 2 28 VAL HB 2 29 GLN H 2.800 . 2.800 2.476 2.277 2.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
601 2 28 VAL HB 2 30 GLN H 5.000 . 5.000 4.738 4.627 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
602 2 28 VAL HB 2 31 HIS H 5.000 . 5.000 5.083 5.043 5.113 0.113 34 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
603 2 28 VAL QG 2 29 GLN H 5.000 . 5.000 3.206 2.922 3.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
604 2 28 VAL QG 2 29 GLN HA 5.000 . 5.000 3.614 3.169 3.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
605 2 28 VAL QG 2 29 GLN QE 5.000 . 5.000 4.165 2.620 5.001 0.001 10 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
606 2 28 VAL QG 2 30 GLN H 5.000 . 5.000 4.328 4.249 4.417 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
607 2 28 VAL QG 2 32 PRO QD 5.000 . 5.000 4.179 3.833 5.060 0.060 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
608 2 29 GLN H 2 30 GLN H 2.800 . 2.800 2.698 2.659 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
609 2 29 GLN H 2 31 HIS H 5.000 . 5.000 4.082 3.915 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
610 2 29 GLN HA 2 31 HIS H 5.000 . 5.000 4.119 4.009 4.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
611 2 29 GLN QG 2 32 PRO QB 5.000 . 5.000 4.580 4.114 5.005 0.005 44 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
612 2 30 GLN H 2 31 HIS H 2.800 . 2.800 2.481 2.419 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
613 2 30 GLN HA 2 31 HIS H 3.500 . 3.500 3.501 3.461 3.513 0.013 43 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
614 2 30 GLN HA 2 32 PRO QD 5.000 . 5.000 3.677 3.038 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
615 2 30 GLN QB 2 31 HIS H 2.800 . 2.800 2.806 2.768 2.848 0.048 47 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
616 2 30 GLN QB 2 31 HIS HE1 5.000 . 5.000 4.369 3.991 4.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
617 2 31 HIS H 2 32 PRO QD 5.000 . 5.000 2.830 2.516 3.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
618 2 31 HIS HA 2 32 PRO QD 2.800 . 2.800 2.159 1.981 2.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
619 2 31 HIS HA 2 32 PRO QG 5.000 . 5.000 4.038 3.862 4.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
620 2 32 PRO HA 2 33 ARG H 3.500 . 3.500 3.363 2.182 3.552 0.052 25 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
621 2 32 PRO QB 2 33 ARG H 4.000 . 5.000 3.137 1.970 4.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
622 2 32 PRO QD 2 33 ARG QG 5.000 . 5.000 4.357 3.095 5.010 0.010 37 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
623 2 32 PRO QG 2 33 ARG H 5.000 . 5.000 2.631 1.899 4.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
624 2 32 PRO QG 2 33 ARG QD 2.800 . 2.800 2.276 1.829 2.811 0.011 15 0 "[ . 1 . 2 . 3 . 4 . 5 ]" 1
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