NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486372 |
2stt   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2stt
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 771
_Distance_constraint_stats_list.Viol_count 2278
_Distance_constraint_stats_list.Viol_total 5792.022
_Distance_constraint_stats_list.Viol_max 0.492
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.1017
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
3 1 VAL 2.673 0.191 18 0 "[ . 1 . 2 .]"
3 2 ILE 9.727 0.349 3 0 "[ . 1 . 2 .]"
3 3 PRO 1.575 0.146 17 0 "[ . 1 . 2 .]"
3 4 ALA 8.412 0.313 14 0 "[ . 1 . 2 .]"
3 5 ALA 1.199 0.078 2 0 "[ . 1 . 2 .]"
3 6 ALA 6.101 0.320 3 0 "[ . 1 . 2 .]"
3 7 LEU 6.239 0.320 3 0 "[ . 1 . 2 .]"
3 8 ALA 3.266 0.235 15 0 "[ . 1 . 2 .]"
3 9 GLY 1.792 0.271 4 0 "[ . 1 . 2 .]"
3 10 TYR 5.663 0.253 6 0 "[ . 1 . 2 .]"
3 11 THR 0.397 0.228 13 0 "[ . 1 . 2 .]"
3 12 GLY 0.775 0.193 20 0 "[ . 1 . 2 .]"
3 13 SER 0.381 0.228 13 0 "[ . 1 . 2 .]"
3 14 GLY 1.135 0.253 6 0 "[ . 1 . 2 .]"
3 15 PRO 0.062 0.038 7 0 "[ . 1 . 2 .]"
3 16 ILE 6.966 0.379 4 0 "[ . 1 . 2 .]"
3 17 GLN 4.076 0.298 22 0 "[ . 1 . 2 .]"
3 18 LEU 13.995 0.399 17 0 "[ . 1 . 2 .]"
3 19 TRP 20.143 0.403 20 0 "[ . 1 . 2 .]"
3 20 GLN 1.128 0.140 20 0 "[ . 1 . 2 .]"
3 21 PHE 10.762 0.379 4 0 "[ . 1 . 2 .]"
3 22 LEU 6.122 0.356 10 0 "[ . 1 . 2 .]"
3 23 LEU 5.858 0.310 1 0 "[ . 1 . 2 .]"
3 24 GLU 0.025 0.024 5 0 "[ . 1 . 2 .]"
3 25 LEU 7.186 0.349 3 0 "[ . 1 . 2 .]"
3 26 LEU 8.866 0.329 19 0 "[ . 1 . 2 .]"
3 27 THR 2.261 0.364 13 0 "[ . 1 . 2 .]"
3 28 ASP 0.780 0.086 8 0 "[ . 1 . 2 .]"
3 29 LYS 11.171 0.463 20 0 "[ . 1 . 2 .]"
3 30 SER 2.535 0.285 11 0 "[ . 1 . 2 .]"
3 31 CYS 1.231 0.312 1 0 "[ . 1 . 2 .]"
3 32 GLN 5.840 0.463 20 0 "[ . 1 . 2 .]"
3 33 SER 0.005 0.005 21 0 "[ . 1 . 2 .]"
3 34 PHE 5.481 0.285 11 0 "[ . 1 . 2 .]"
3 35 ILE 6.325 0.256 14 0 "[ . 1 . 2 .]"
3 36 SER 2.256 0.354 13 0 "[ . 1 . 2 .]"
3 37 TRP 17.171 0.364 13 0 "[ . 1 . 2 .]"
3 38 THR 0.808 0.127 3 0 "[ . 1 . 2 .]"
3 39 GLY 0.038 0.035 10 0 "[ . 1 . 2 .]"
3 40 ASP 0.215 0.088 3 0 "[ . 1 . 2 .]"
3 41 GLY 2.052 0.273 3 0 "[ . 1 . 2 .]"
3 42 TRP 7.114 0.273 3 0 "[ . 1 . 2 .]"
3 43 GLU 0.336 0.100 15 0 "[ . 1 . 2 .]"
3 44 PHE 16.697 0.392 10 0 "[ . 1 . 2 .]"
3 45 LYS 2.729 0.392 10 0 "[ . 1 . 2 .]"
3 46 LEU 1.901 0.216 18 0 "[ . 1 . 2 .]"
3 47 SER 0.041 0.041 21 0 "[ . 1 . 2 .]"
3 48 ASP 0.514 0.078 4 0 "[ . 1 . 2 .]"
3 49 PRO 5.699 0.236 16 0 "[ . 1 . 2 .]"
3 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 51 GLU 6.903 0.253 9 0 "[ . 1 . 2 .]"
3 52 VAL 12.523 0.218 19 0 "[ . 1 . 2 .]"
3 53 ALA 0.465 0.124 19 0 "[ . 1 . 2 .]"
3 54 ARG 0.253 0.253 9 0 "[ . 1 . 2 .]"
3 55 ARG 1.851 0.208 4 0 "[ . 1 . 2 .]"
3 56 TRP 7.985 0.231 8 0 "[ . 1 . 2 .]"
3 57 GLY 1.274 0.070 6 0 "[ . 1 . 2 .]"
3 58 LYS 0.088 0.021 8 0 "[ . 1 . 2 .]"
3 59 ARG 0.534 0.164 16 0 "[ . 1 . 2 .]"
3 60 LYS 0.534 0.164 16 0 "[ . 1 . 2 .]"
3 61 ASN 1.415 0.254 10 0 "[ . 1 . 2 .]"
3 62 LYS 1.415 0.254 10 0 "[ . 1 . 2 .]"
3 63 PRO 0.410 0.068 1 0 "[ . 1 . 2 .]"
3 64 LYS 1.438 0.205 17 0 "[ . 1 . 2 .]"
3 65 MET 1.502 0.205 17 0 "[ . 1 . 2 .]"
3 66 ASN 0.203 0.070 14 0 "[ . 1 . 2 .]"
3 67 TYR 16.479 0.476 15 0 "[ . 1 . 2 .]"
3 68 GLU 3.227 0.256 9 0 "[ . 1 . 2 .]"
3 69 LYS 1.843 0.303 9 0 "[ . 1 . 2 .]"
3 70 LEU 18.075 0.399 17 0 "[ . 1 . 2 .]"
3 71 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 72 ARG 0.014 0.014 15 0 "[ . 1 . 2 .]"
3 73 GLY 0.851 0.169 11 0 "[ . 1 . 2 .]"
3 74 LEU 13.596 0.412 21 0 "[ . 1 . 2 .]"
3 75 ARG 0.848 0.182 22 0 "[ . 1 . 2 .]"
3 76 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 77 TYR 16.669 0.330 13 0 "[ . 1 . 2 .]"
3 78 TYR 6.678 0.412 21 0 "[ . 1 . 2 .]"
3 79 ASP 6.719 0.492 9 0 "[ . 1 . 2 .]"
3 80 LYS 2.065 0.258 9 0 "[ . 1 . 2 .]"
3 81 ASN 11.411 0.492 9 0 "[ . 1 . 2 .]"
3 82 ILE 22.271 0.371 17 0 "[ . 1 . 2 .]"
3 83 ILE 17.516 0.403 20 0 "[ . 1 . 2 .]"
3 84 HIS 7.041 0.276 17 0 "[ . 1 . 2 .]"
3 85 LYS 0.128 0.065 7 0 "[ . 1 . 2 .]"
3 86 THR 1.441 0.171 8 0 "[ . 1 . 2 .]"
3 87 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 88 GLY 0.314 0.314 10 0 "[ . 1 . 2 .]"
3 89 LYS 1.032 0.314 10 0 "[ . 1 . 2 .]"
3 90 ARG 2.126 0.269 23 0 "[ . 1 . 2 .]"
3 91 TYR 3.544 0.416 12 0 "[ . 1 . 2 .]"
3 92 VAL 3.964 0.416 12 0 "[ . 1 . 2 .]"
3 93 TYR 14.576 0.476 15 0 "[ . 1 . 2 .]"
3 94 ARG 4.219 0.215 18 0 "[ . 1 . 2 .]"
3 95 PHE 12.023 0.311 9 0 "[ . 1 . 2 .]"
3 96 VAL 4.715 0.276 17 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 18 LEU H 3 18 LEU HG 4.000 . 5.000 4.408 2.486 4.638 . 0 0 "[ . 1 . 2 .]" 1
2 3 2 ILE H 3 2 ILE HB 4.000 . 5.000 3.221 2.491 3.839 . 0 0 "[ . 1 . 2 .]" 1
3 3 2 ILE H 3 2 ILE QG 4.000 . 5.000 3.835 2.149 4.369 . 0 0 "[ . 1 . 2 .]" 1
4 3 2 ILE H 3 2 ILE MG 4.000 . 5.000 2.506 2.026 3.878 . 0 0 "[ . 1 . 2 .]" 1
5 3 4 ALA H 3 4 ALA MB 3.000 . 3.500 2.182 2.057 2.266 . 0 0 "[ . 1 . 2 .]" 1
6 3 5 ALA H 3 5 ALA MB 3.000 . 3.500 2.235 2.152 2.267 . 0 0 "[ . 1 . 2 .]" 1
7 3 6 ALA H 3 6 ALA MB 2.000 . 3.400 2.255 2.085 2.314 . 0 0 "[ . 1 . 2 .]" 1
8 3 7 LEU HA 3 7 LEU QD 4.000 . 6.000 2.303 1.996 3.407 . 0 0 "[ . 1 . 2 .]" 1
9 3 7 LEU H 3 7 LEU QB 3.000 . 3.500 2.340 2.236 2.559 . 0 0 "[ . 1 . 2 .]" 1
10 3 7 LEU H 3 7 LEU QD 4.000 . 6.000 3.184 1.968 3.771 . 0 0 "[ . 1 . 2 .]" 1
11 3 8 ALA H 3 8 ALA MB 2.500 . 2.900 2.263 2.194 2.334 . 0 0 "[ . 1 . 2 .]" 1
12 3 10 TYR HA 3 10 TYR QD 4.000 . 5.000 3.225 2.448 3.735 . 0 0 "[ . 1 . 2 .]" 1
13 3 10 TYR H 3 10 TYR QB 3.000 . 3.500 2.266 2.045 2.629 . 0 0 "[ . 1 . 2 .]" 1
14 3 10 TYR HA 3 10 TYR QE 4.000 . 6.000 4.978 4.292 5.668 . 0 0 "[ . 1 . 2 .]" 1
15 3 11 THR H 3 11 THR HB 4.000 . 5.000 3.002 2.516 3.826 . 0 0 "[ . 1 . 2 .]" 1
16 3 11 THR H 3 11 THR MG 4.000 . 5.000 2.966 1.795 3.908 0.005 6 0 "[ . 1 . 2 .]" 1
17 3 16 ILE HA 3 16 ILE MD 4.000 . 5.000 3.587 2.083 4.142 . 0 0 "[ . 1 . 2 .]" 1
18 3 16 ILE H 3 16 ILE HB 4.000 . 5.000 2.751 2.353 3.649 . 0 0 "[ . 1 . 2 .]" 1
19 3 16 ILE H 3 16 ILE MG 3.000 . 3.500 2.430 1.847 3.753 0.253 8 0 "[ . 1 . 2 .]" 1
20 3 17 GLN H 3 17 GLN QG 4.000 . 5.000 3.975 3.830 4.078 . 0 0 "[ . 1 . 2 .]" 1
21 3 18 LEU HA 3 18 LEU QD 4.000 . 6.000 2.646 2.006 3.358 . 0 0 "[ . 1 . 2 .]" 1
22 3 19 TRP H 3 19 TRP HD1 4.000 . 5.000 2.305 1.985 2.933 . 0 0 "[ . 1 . 2 .]" 1
23 3 19 TRP H 3 19 TRP HE1 4.000 . 6.000 4.326 4.151 4.970 . 0 0 "[ . 1 . 2 .]" 1
24 3 22 LEU HA 3 22 LEU QD 4.000 . 5.000 2.138 1.999 2.615 . 0 0 "[ . 1 . 2 .]" 1
25 3 22 LEU H 3 22 LEU QD 4.000 . 5.000 3.648 3.213 3.784 . 0 0 "[ . 1 . 2 .]" 1
26 3 23 LEU HA 3 23 LEU QD 4.000 . 6.000 2.085 1.975 2.266 . 0 0 "[ . 1 . 2 .]" 1
27 3 23 LEU H 3 23 LEU QB 3.000 . 3.500 2.249 2.149 2.355 . 0 0 "[ . 1 . 2 .]" 1
28 3 23 LEU H 3 23 LEU QD 4.000 . 6.000 3.525 1.843 3.732 . 0 0 "[ . 1 . 2 .]" 1
29 3 24 GLU H 3 24 GLU QB 3.000 . 3.500 2.344 2.263 2.655 . 0 0 "[ . 1 . 2 .]" 1
30 3 25 LEU HA 3 25 LEU QD 4.000 . 6.000 2.173 1.984 3.034 . 0 0 "[ . 1 . 2 .]" 1
31 3 26 LEU HA 3 26 LEU HG 4.000 . 5.000 2.582 2.248 3.713 . 0 0 "[ . 1 . 2 .]" 1
32 3 26 LEU H 3 26 LEU HG 4.000 . 5.000 4.173 2.662 4.586 . 0 0 "[ . 1 . 2 .]" 1
33 3 26 LEU HA 3 26 LEU QD 4.000 . 6.000 2.455 2.018 3.071 . 0 0 "[ . 1 . 2 .]" 1
34 3 26 LEU H 3 26 LEU QD 4.000 . 6.000 3.366 2.067 3.804 . 0 0 "[ . 1 . 2 .]" 1
35 3 27 THR H 3 27 THR MG 4.000 . 5.000 2.451 1.929 3.770 . 0 0 "[ . 1 . 2 .]" 1
36 3 29 LYS HA 3 29 LYS QD 4.000 . 5.000 3.610 2.208 4.277 . 0 0 "[ . 1 . 2 .]" 1
37 3 29 LYS H 3 29 LYS QB 3.000 . 3.500 2.412 2.137 2.873 . 0 0 "[ . 1 . 2 .]" 1
38 3 29 LYS QB 3 29 LYS QE 4.000 . 6.000 3.279 2.218 3.905 . 0 0 "[ . 1 . 2 .]" 1
39 3 29 LYS H 3 29 LYS QD 4.000 . 5.000 3.859 1.637 4.768 0.163 20 0 "[ . 1 . 2 .]" 1
40 3 29 LYS H 3 29 LYS QG 4.000 . 5.000 3.144 1.936 4.093 . 0 0 "[ . 1 . 2 .]" 1
41 3 30 SER H 3 30 SER QB 3.000 . 3.500 2.367 2.236 2.550 . 0 0 "[ . 1 . 2 .]" 1
42 3 32 GLN H 3 32 GLN QB 3.000 . 3.500 2.321 2.216 2.418 . 0 0 "[ . 1 . 2 .]" 1
43 3 32 GLN H 3 32 GLN QG 4.000 . 5.000 2.879 2.078 4.009 . 0 0 "[ . 1 . 2 .]" 1
44 3 33 SER H 3 33 SER QB 3.000 . 3.500 2.506 2.287 3.269 . 0 0 "[ . 1 . 2 .]" 1
45 3 35 ILE H 3 35 ILE MG 4.000 . 5.000 2.633 2.309 3.444 . 0 0 "[ . 1 . 2 .]" 1
46 3 37 TRP HA 3 37 TRP HD1 4.000 . 5.000 4.300 3.950 4.613 . 0 0 "[ . 1 . 2 .]" 1
47 3 37 TRP H 3 37 TRP HD1 4.000 . 5.000 4.939 4.555 5.186 0.186 12 0 "[ . 1 . 2 .]" 1
48 3 38 THR H 3 38 THR MG 4.000 . 5.000 2.301 1.886 3.806 . 0 0 "[ . 1 . 2 .]" 1
49 3 44 PHE HA 3 44 PHE QD 4.000 . 5.000 2.435 2.314 2.784 . 0 0 "[ . 1 . 2 .]" 1
50 3 45 LYS H 3 45 LYS QD 4.000 . 5.000 4.364 3.764 5.020 0.020 12 0 "[ . 1 . 2 .]" 1
51 3 45 LYS H 3 45 LYS QE 4.000 . 5.000 4.671 4.005 5.084 0.084 8 0 "[ . 1 . 2 .]" 1
52 3 45 LYS H 3 45 LYS QG 4.000 . 5.000 2.904 2.062 4.121 . 0 0 "[ . 1 . 2 .]" 1
53 3 46 LEU HA 3 46 LEU QD 4.000 . 6.000 2.437 2.071 3.060 . 0 0 "[ . 1 . 2 .]" 1
54 3 50 ASP H 3 50 ASP QB 3.000 . 3.500 2.354 2.262 2.566 . 0 0 "[ . 1 . 2 .]" 1
55 3 52 VAL H 3 52 VAL HB 4.000 . 5.000 2.462 2.304 2.596 . 0 0 "[ . 1 . 2 .]" 1
56 3 52 VAL H 3 52 VAL QG 4.000 . 6.000 2.104 1.904 2.389 . 0 0 "[ . 1 . 2 .]" 1
57 3 53 ALA H 3 53 ALA MB 3.000 . 3.500 2.248 2.205 2.291 . 0 0 "[ . 1 . 2 .]" 1
58 3 54 ARG H 3 54 ARG QB 3.000 . 3.500 2.308 2.226 2.415 . 0 0 "[ . 1 . 2 .]" 1
59 3 56 TRP QB 3 56 TRP HD1 3.000 . 3.300 2.644 2.566 2.751 . 0 0 "[ . 1 . 2 .]" 1
60 3 56 TRP HA 3 56 TRP HE1 4.000 . 6.000 5.151 5.012 5.346 . 0 0 "[ . 1 . 2 .]" 1
61 3 56 TRP QB 3 56 TRP HZ3 4.000 . 5.000 4.797 4.705 4.881 . 0 0 "[ . 1 . 2 .]" 1
62 3 58 LYS HA 3 58 LYS QD 4.000 . 5.000 3.414 2.209 4.527 . 0 0 "[ . 1 . 2 .]" 1
63 3 58 LYS H 3 58 LYS QB 2.500 . 2.900 2.312 2.184 2.584 . 0 0 "[ . 1 . 2 .]" 1
64 3 58 LYS QB 3 58 LYS QE 4.000 . 5.000 3.349 2.123 3.835 . 0 0 "[ . 1 . 2 .]" 1
65 3 58 LYS H 3 58 LYS QG 4.000 . 5.000 3.404 2.030 4.089 . 0 0 "[ . 1 . 2 .]" 1
66 3 59 ARG H 3 59 ARG QB 3.000 . 3.500 2.355 2.204 2.608 . 0 0 "[ . 1 . 2 .]" 1
67 3 60 LYS H 3 60 LYS QG 4.000 . 5.000 2.918 2.143 4.116 . 0 0 "[ . 1 . 2 .]" 1
68 3 62 LYS H 3 62 LYS QG 4.000 . 5.000 3.379 2.797 4.265 . 0 0 "[ . 1 . 2 .]" 1
69 3 64 LYS HA 3 64 LYS QD 4.000 . 5.000 3.979 2.279 4.468 . 0 0 "[ . 1 . 2 .]" 1
70 3 64 LYS H 3 64 LYS QB 3.000 . 3.500 2.571 2.323 3.083 . 0 0 "[ . 1 . 2 .]" 1
71 3 64 LYS H 3 64 LYS QG 4.000 . 5.000 2.881 1.835 4.278 . 0 0 "[ . 1 . 2 .]" 1
72 3 65 MET H 3 65 MET ME 4.000 . 5.000 4.813 3.197 5.146 0.146 21 0 "[ . 1 . 2 .]" 1
73 3 67 TYR HA 3 67 TYR QD 4.000 . 6.000 2.738 2.418 3.075 . 0 0 "[ . 1 . 2 .]" 1
74 3 67 TYR QB 3 67 TYR QE 4.000 . 5.000 3.957 3.944 3.978 . 0 0 "[ . 1 . 2 .]" 1
75 3 67 TYR H 3 67 TYR QD 4.000 . 5.000 4.160 4.105 4.201 . 0 0 "[ . 1 . 2 .]" 1
76 3 67 TYR HA 3 67 TYR QE 4.000 . 6.000 4.541 4.397 4.710 . 0 0 "[ . 1 . 2 .]" 1
77 3 68 GLU H 3 68 GLU QB 3.000 . 3.500 2.425 2.225 2.615 . 0 0 "[ . 1 . 2 .]" 1
78 3 68 GLU H 3 68 GLU QG 4.000 . 5.000 2.691 1.819 4.065 . 0 0 "[ . 1 . 2 .]" 1
79 3 69 LYS HA 3 69 LYS QD 4.000 . 5.000 3.542 2.201 4.459 . 0 0 "[ . 1 . 2 .]" 1
80 3 69 LYS H 3 69 LYS QB 3.000 . 3.500 2.350 2.211 2.548 . 0 0 "[ . 1 . 2 .]" 1
81 3 69 LYS H 3 69 LYS QD 4.000 . 5.000 3.688 1.751 4.598 0.049 19 0 "[ . 1 . 2 .]" 1
82 3 69 LYS QB 3 69 LYS QE 4.000 . 5.000 3.215 2.129 3.743 . 0 0 "[ . 1 . 2 .]" 1
83 3 72 ARG QB 3 72 ARG QD 3.000 . 3.300 2.247 2.098 2.921 . 0 0 "[ . 1 . 2 .]" 1
84 3 72 ARG HA 3 72 ARG QD 4.000 . 5.000 3.380 2.113 4.170 . 0 0 "[ . 1 . 2 .]" 1
85 3 74 LEU HA 3 74 LEU QD 4.000 . 5.000 2.312 1.968 3.030 . 0 0 "[ . 1 . 2 .]" 1
86 3 74 LEU H 3 74 LEU HG 4.000 . 5.000 4.275 2.711 4.662 . 0 0 "[ . 1 . 2 .]" 1
87 3 74 LEU H 3 74 LEU QD 4.000 . 6.000 3.580 3.309 3.831 . 0 0 "[ . 1 . 2 .]" 1
88 3 76 TYR HA 3 76 TYR QD 4.000 . 5.000 2.779 2.399 3.010 . 0 0 "[ . 1 . 2 .]" 1
89 3 76 TYR H 3 76 TYR QD 4.000 . 6.000 4.190 4.148 4.221 . 0 0 "[ . 1 . 2 .]" 1
90 3 76 TYR HA 3 76 TYR QE 4.000 . 5.000 4.571 4.434 4.686 . 0 0 "[ . 1 . 2 .]" 1
91 3 77 TYR HA 3 77 TYR QD 4.000 . 6.000 2.686 2.267 2.990 . 0 0 "[ . 1 . 2 .]" 1
92 3 77 TYR H 3 77 TYR QD 4.000 . 5.000 4.028 3.929 4.148 . 0 0 "[ . 1 . 2 .]" 1
93 3 77 TYR QB 3 77 TYR QE 4.000 . 5.000 3.955 3.934 3.975 . 0 0 "[ . 1 . 2 .]" 1
94 3 78 TYR H 3 78 TYR QB 3.000 . 3.500 2.429 2.208 2.699 . 0 0 "[ . 1 . 2 .]" 1
95 3 78 TYR QB 3 78 TYR QE 4.000 . 6.000 3.972 3.955 3.983 . 0 0 "[ . 1 . 2 .]" 1
96 3 80 LYS H 3 80 LYS QB 3.000 . 3.500 2.505 2.371 3.067 . 0 0 "[ . 1 . 2 .]" 1
97 3 82 ILE H 3 82 ILE HB 4.000 . 5.000 3.160 2.805 3.506 . 0 0 "[ . 1 . 2 .]" 1
98 3 82 ILE H 3 82 ILE QG 4.000 . 6.000 4.194 3.902 4.331 . 0 0 "[ . 1 . 2 .]" 1
99 3 83 ILE H 3 83 ILE MG 4.000 . 5.000 1.956 1.767 2.209 0.033 20 0 "[ . 1 . 2 .]" 1
100 3 84 HIS HA 3 84 HIS HD2 4.000 . 6.000 3.404 2.478 4.181 . 0 0 "[ . 1 . 2 .]" 1
101 3 85 LYS H 3 85 LYS QG 4.000 . 5.000 2.780 1.856 4.033 . 0 0 "[ . 1 . 2 .]" 1
102 3 86 THR H 3 86 THR HB 4.000 . 5.000 2.517 2.399 2.680 . 0 0 "[ . 1 . 2 .]" 1
103 3 86 THR H 3 86 THR MG 4.000 . 5.000 3.800 3.762 3.844 . 0 0 "[ . 1 . 2 .]" 1
104 3 87 ALA H 3 87 ALA MB 3.000 . 3.500 2.258 2.204 2.327 . 0 0 "[ . 1 . 2 .]" 1
105 3 89 LYS H 3 89 LYS QB 3.000 . 3.500 2.533 2.398 3.036 . 0 0 "[ . 1 . 2 .]" 1
106 3 89 LYS H 3 89 LYS QG 4.000 . 5.000 3.278 1.898 4.303 . 0 0 "[ . 1 . 2 .]" 1
107 3 90 ARG H 3 90 ARG QB 3.000 . 3.500 2.604 2.278 3.345 . 0 0 "[ . 1 . 2 .]" 1
108 3 91 TYR HA 3 91 TYR QD 4.000 . 5.000 2.734 2.263 3.079 . 0 0 "[ . 1 . 2 .]" 1
109 3 91 TYR H 3 91 TYR QD 4.000 . 5.000 2.527 1.772 3.258 0.028 10 0 "[ . 1 . 2 .]" 1
110 3 91 TYR HA 3 91 TYR QE 4.000 . 6.000 4.563 4.388 4.756 . 0 0 "[ . 1 . 2 .]" 1
111 3 92 VAL H 3 92 VAL HB 4.000 . 5.000 3.479 2.500 3.669 . 0 0 "[ . 1 . 2 .]" 1
112 3 92 VAL H 3 92 VAL QG 4.000 . 6.000 1.844 1.698 2.406 0.102 8 0 "[ . 1 . 2 .]" 1
113 3 95 PHE H 3 95 PHE QD 4.000 . 5.000 2.397 2.115 2.565 . 0 0 "[ . 1 . 2 .]" 1
114 3 96 VAL H 3 96 VAL HB 4.000 . 5.000 3.314 2.748 3.765 . 0 0 "[ . 1 . 2 .]" 1
115 3 96 VAL H 3 96 VAL QG 4.000 . 6.000 1.942 1.765 2.166 0.035 4 0 "[ . 1 . 2 .]" 1
116 3 1 VAL HA 3 2 ILE H 3.000 . 3.500 2.954 2.202 3.562 0.062 3 0 "[ . 1 . 2 .]" 1
117 3 1 VAL MG2 3 2 ILE H 4.000 . 5.000 4.024 3.515 4.306 . 0 0 "[ . 1 . 2 .]" 1
118 3 2 ILE MG 3 3 PRO QD 4.000 . 5.000 3.759 3.380 3.969 . 0 0 "[ . 1 . 2 .]" 1
119 3 3 PRO HA 3 4 ALA H 3.000 . 3.500 3.266 2.545 3.420 . 0 0 "[ . 1 . 2 .]" 1
120 3 4 ALA HA 3 5 ALA H 3.000 . 3.500 3.435 2.373 3.578 0.078 2 0 "[ . 1 . 2 .]" 1
121 3 5 ALA HA 3 6 ALA H 4.000 . 5.000 3.476 3.359 3.578 . 0 0 "[ . 1 . 2 .]" 1
122 3 5 ALA H 3 6 ALA H 4.000 . 5.000 2.659 2.508 2.832 . 0 0 "[ . 1 . 2 .]" 1
123 3 6 ALA HA 3 7 LEU H 3.000 . 3.500 3.496 3.333 3.587 0.087 10 0 "[ . 1 . 2 .]" 1
124 3 6 ALA HA 3 7 LEU QD 4.000 . 5.500 5.192 4.016 5.820 0.320 3 0 "[ . 1 . 2 .]" 1
125 3 6 ALA H 3 7 LEU H 3.000 . 3.500 2.449 2.317 2.877 . 0 0 "[ . 1 . 2 .]" 1
126 3 6 ALA H 3 7 LEU QB 4.000 . 5.000 4.395 4.034 5.193 0.193 13 0 "[ . 1 . 2 .]" 1
127 3 6 ALA MB 3 7 LEU H 3.000 . 3.500 2.762 1.824 3.197 . 0 0 "[ . 1 . 2 .]" 1
128 3 6 ALA MB 3 7 LEU QD 3.000 . 7.500 3.636 2.125 4.833 . 0 0 "[ . 1 . 2 .]" 1
129 3 7 LEU H 3 8 ALA H 4.000 . 5.000 2.501 2.318 2.947 . 0 0 "[ . 1 . 2 .]" 1
130 3 7 LEU QB 3 8 ALA H 3.000 . 3.500 2.652 1.785 3.549 0.049 13 0 "[ . 1 . 2 .]" 1
131 3 7 LEU QD 3 8 ALA H 4.000 . 5.000 3.802 2.770 4.426 . 0 0 "[ . 1 . 2 .]" 1
132 3 8 ALA HA 3 9 GLY H 3.000 . 3.500 3.381 2.505 3.589 0.089 8 0 "[ . 1 . 2 .]" 1
133 3 8 ALA H 3 9 GLY H 4.000 . 5.000 3.044 2.399 4.614 . 0 0 "[ . 1 . 2 .]" 1
134 3 8 ALA MB 3 9 GLY H 4.000 . 5.000 2.330 1.736 3.269 0.064 9 0 "[ . 1 . 2 .]" 1
135 3 9 GLY QA 3 10 TYR H 3.000 . 3.500 2.774 2.351 2.955 . 0 0 "[ . 1 . 2 .]" 1
136 3 10 TYR HA 3 11 THR H 3.000 . 3.500 2.287 2.147 2.679 . 0 0 "[ . 1 . 2 .]" 1
137 3 10 TYR QB 3 11 THR H 4.000 . 5.000 3.444 2.219 4.031 . 0 0 "[ . 1 . 2 .]" 1
138 3 10 TYR QD 3 11 THR HA 4.000 . 5.000 4.223 3.380 5.011 0.011 15 0 "[ . 1 . 2 .]" 1
139 3 11 THR HA 3 12 GLY H 4.000 . 5.000 2.818 2.140 3.499 . 0 0 "[ . 1 . 2 .]" 1
140 3 11 THR H 3 12 GLY H 4.000 . 5.000 3.638 1.836 4.639 . 0 0 "[ . 1 . 2 .]" 1
141 3 12 GLY H 3 13 SER H 4.000 . 5.000 3.079 2.467 4.087 . 0 0 "[ . 1 . 2 .]" 1
142 3 12 GLY QA 3 13 SER H 4.000 . 5.000 2.743 2.270 2.959 . 0 0 "[ . 1 . 2 .]" 1
143 3 13 SER HA 3 14 GLY H 3.000 . 3.500 2.623 2.178 3.363 . 0 0 "[ . 1 . 2 .]" 1
144 3 13 SER H 3 14 GLY H 4.000 . 5.000 3.486 2.160 4.568 . 0 0 "[ . 1 . 2 .]" 1
145 3 13 SER QB 3 14 GLY H 4.000 . 5.000 3.588 2.807 4.047 . 0 0 "[ . 1 . 2 .]" 1
146 3 14 GLY QA 3 15 PRO QD 4.000 . 5.000 2.057 1.975 2.198 . 0 0 "[ . 1 . 2 .]" 1
147 3 14 GLY H 3 15 PRO QD 4.000 . 5.000 3.545 1.896 4.341 . 0 0 "[ . 1 . 2 .]" 1
148 3 15 PRO HA 3 16 ILE H 3.000 . 3.500 2.254 2.175 2.648 . 0 0 "[ . 1 . 2 .]" 1
149 3 15 PRO QB 3 16 ILE H 4.000 . 5.000 3.225 2.435 3.489 . 0 0 "[ . 1 . 2 .]" 1
150 3 15 PRO QB 3 16 ILE MD 4.000 . 6.500 6.012 4.970 6.538 0.038 7 0 "[ . 1 . 2 .]" 1
151 3 16 ILE HA 3 17 GLN H 4.000 . 5.000 2.473 2.184 3.046 . 0 0 "[ . 1 . 2 .]" 1
152 3 16 ILE H 3 17 GLN QB 4.000 . 6.000 6.049 5.850 6.142 0.142 23 0 "[ . 1 . 2 .]" 1
153 3 16 ILE MD 3 17 GLN H 4.000 . 5.000 3.805 2.170 4.755 . 0 0 "[ . 1 . 2 .]" 1
154 3 16 ILE MG 3 17 GLN H 4.000 . 5.000 3.029 1.838 3.852 . 0 0 "[ . 1 . 2 .]" 1
155 3 16 ILE MG 3 17 GLN QB 4.000 . 5.000 4.311 3.330 5.267 0.267 18 0 "[ . 1 . 2 .]" 1
156 3 17 GLN HA 3 18 LEU H 4.000 . 5.000 2.316 2.156 2.399 . 0 0 "[ . 1 . 2 .]" 1
157 3 17 GLN H 3 18 LEU H 4.000 . 5.000 4.626 4.504 4.665 . 0 0 "[ . 1 . 2 .]" 1
158 3 17 GLN QG 3 18 LEU H 4.000 . 5.000 3.109 2.000 3.680 . 0 0 "[ . 1 . 2 .]" 1
159 3 17 GLN QE 3 18 LEU HG 4.000 . 6.000 5.149 4.467 6.221 0.221 22 0 "[ . 1 . 2 .]" 1
160 3 18 LEU QD 3 19 TRP HA 4.000 . 5.000 2.568 2.268 3.767 . 0 0 "[ . 1 . 2 .]" 1
161 3 18 LEU QD 3 19 TRP H 4.000 . 5.000 2.659 2.361 3.157 . 0 0 "[ . 1 . 2 .]" 1
162 3 18 LEU HG 3 19 TRP HD1 4.000 . 6.000 5.904 4.047 6.143 0.143 8 0 "[ . 1 . 2 .]" 1
163 3 18 LEU QD 3 19 TRP HD1 4.000 . 5.000 3.917 3.463 4.425 . 0 0 "[ . 1 . 2 .]" 1
164 3 18 LEU QD 3 19 TRP HE1 4.000 . 6.000 5.880 5.529 6.369 0.369 14 0 "[ . 1 . 2 .]" 1
165 3 19 TRP H 3 20 GLN H 3.000 . 3.500 2.683 2.540 2.848 . 0 0 "[ . 1 . 2 .]" 1
166 3 19 TRP QB 3 20 GLN H 4.000 . 5.000 3.561 3.476 3.640 . 0 0 "[ . 1 . 2 .]" 1
167 3 19 TRP HE1 3 20 GLN HA 4.000 . 6.000 5.855 5.451 6.084 0.084 13 0 "[ . 1 . 2 .]" 1
168 3 20 GLN H 3 21 PHE H 2.500 . 2.900 2.659 2.500 2.863 . 0 0 "[ . 1 . 2 .]" 1
169 3 21 PHE H 3 22 LEU H 2.500 . 2.900 2.721 2.561 2.797 . 0 0 "[ . 1 . 2 .]" 1
170 3 21 PHE QD 3 22 LEU QD 4.000 . 5.000 3.581 2.883 4.292 . 0 0 "[ . 1 . 2 .]" 1
171 3 21 PHE HZ 3 22 LEU QD 4.000 . 5.500 5.234 4.362 5.740 0.240 20 0 "[ . 1 . 2 .]" 1
172 3 21 PHE QB 3 22 LEU H 4.000 . 5.000 2.455 2.255 2.629 . 0 0 "[ . 1 . 2 .]" 1
173 3 22 LEU H 3 23 LEU H 2.500 . 2.900 2.741 2.617 2.828 . 0 0 "[ . 1 . 2 .]" 1
174 3 22 LEU H 3 56 TRP HH2 4.000 . 5.000 4.210 3.809 4.558 . 0 0 "[ . 1 . 2 .]" 1
175 3 22 LEU QD 3 23 LEU H 4.000 . 5.000 3.755 3.270 4.088 . 0 0 "[ . 1 . 2 .]" 1
176 3 23 LEU H 3 24 GLU H 2.500 . 2.900 2.746 2.615 2.924 0.024 5 0 "[ . 1 . 2 .]" 1
177 3 23 LEU QB 3 24 GLU H 3.000 . 3.500 2.516 2.223 2.816 . 0 0 "[ . 1 . 2 .]" 1
178 3 24 GLU H 3 25 LEU H 2.500 . 2.900 2.717 2.560 2.895 . 0 0 "[ . 1 . 2 .]" 1
179 3 24 GLU QB 3 25 LEU H 3.000 . 3.500 2.572 2.345 3.443 . 0 0 "[ . 1 . 2 .]" 1
180 3 25 LEU HG 3 26 LEU H 4.000 . 5.000 4.269 3.804 4.771 . 0 0 "[ . 1 . 2 .]" 1
181 3 25 LEU HG 3 26 LEU HA 4.000 . 5.000 4.425 3.676 5.329 0.329 19 0 "[ . 1 . 2 .]" 1
182 3 25 LEU H 3 26 LEU H 3.000 . 3.500 2.591 2.448 2.766 . 0 0 "[ . 1 . 2 .]" 1
183 3 25 LEU QD 3 26 LEU H 4.000 . 5.000 3.817 2.706 4.366 . 0 0 "[ . 1 . 2 .]" 1
184 3 26 LEU H 3 27 THR H 4.000 . 5.000 2.831 2.619 3.088 . 0 0 "[ . 1 . 2 .]" 1
185 3 27 THR HA 3 28 ASP H 4.000 . 5.000 2.784 2.379 3.591 . 0 0 "[ . 1 . 2 .]" 1
186 3 27 THR H 3 28 ASP H 3.000 . 3.500 3.224 2.526 3.550 0.050 7 0 "[ . 1 . 2 .]" 1
187 3 28 ASP H 3 29 LYS H 4.000 . 5.000 3.284 2.220 4.560 . 0 0 "[ . 1 . 2 .]" 1
188 3 28 ASP HA 3 29 LYS H 3.000 . 3.500 3.262 2.143 3.586 0.086 8 0 "[ . 1 . 2 .]" 1
189 3 28 ASP QB 3 29 LYS H 4.000 . 5.000 2.212 1.757 3.831 0.043 18 0 "[ . 1 . 2 .]" 1
190 3 29 LYS HA 3 30 SER H 3.000 . 3.500 2.707 2.328 3.541 0.041 1 0 "[ . 1 . 2 .]" 1
191 3 29 LYS QB 3 30 SER H 3.000 . 3.500 2.642 1.784 3.574 0.074 9 0 "[ . 1 . 2 .]" 1
192 3 30 SER H 3 31 CYS H 4.000 . 5.000 3.195 2.556 4.433 . 0 0 "[ . 1 . 2 .]" 1
193 3 31 CYS H 3 32 GLN H 3.000 . 3.500 2.659 1.897 3.394 . 0 0 "[ . 1 . 2 .]" 1
194 3 32 GLN HA 3 33 SER H 4.000 . 5.000 3.398 2.253 3.575 . 0 0 "[ . 1 . 2 .]" 1
195 3 32 GLN H 3 33 SER H 4.000 . 5.000 2.817 2.295 4.642 . 0 0 "[ . 1 . 2 .]" 1
196 3 32 GLN QB 3 33 SER H 4.000 . 5.000 2.838 2.364 3.896 . 0 0 "[ . 1 . 2 .]" 1
197 3 32 GLN QG 3 33 SER H 4.000 . 5.000 4.029 2.515 4.488 . 0 0 "[ . 1 . 2 .]" 1
198 3 33 SER HA 3 34 PHE H 4.000 . 5.000 3.491 3.338 3.610 . 0 0 "[ . 1 . 2 .]" 1
199 3 33 SER H 3 34 PHE H 2.500 . 2.900 2.543 2.107 2.905 0.005 21 0 "[ . 1 . 2 .]" 1
200 3 33 SER QB 3 34 PHE HA 4.000 . 5.000 4.440 4.120 4.822 . 0 0 "[ . 1 . 2 .]" 1
201 3 34 PHE H 3 35 ILE H 2.500 . 2.900 2.064 1.883 2.422 . 0 0 "[ . 1 . 2 .]" 1
202 3 34 PHE H 3 35 ILE MG 4.000 . 5.000 3.566 2.618 4.630 . 0 0 "[ . 1 . 2 .]" 1
203 3 34 PHE QB 3 35 ILE H 4.000 . 5.000 3.295 2.768 3.711 . 0 0 "[ . 1 . 2 .]" 1
204 3 34 PHE QD 3 35 ILE MD 4.000 . 6.500 6.098 5.046 6.477 . 0 0 "[ . 1 . 2 .]" 1
205 3 34 PHE QD 3 35 ILE MG 4.000 . 5.000 4.499 3.432 5.077 0.077 20 0 "[ . 1 . 2 .]" 1
206 3 35 ILE HA 3 36 SER H 2.500 . 2.900 2.715 2.568 2.851 . 0 0 "[ . 1 . 2 .]" 1
207 3 36 SER HA 3 37 TRP H 2.500 . 2.900 2.151 2.087 2.360 . 0 0 "[ . 1 . 2 .]" 1
208 3 36 SER H 3 37 TRP QB 4.000 . 5.000 5.025 4.725 5.168 0.168 3 0 "[ . 1 . 2 .]" 1
209 3 36 SER QB 3 37 TRP H 4.000 . 5.000 3.609 3.228 3.996 . 0 0 "[ . 1 . 2 .]" 1
210 3 37 TRP HA 3 38 THR H 2.500 . 2.900 2.314 2.190 2.766 . 0 0 "[ . 1 . 2 .]" 1
211 3 38 THR HA 3 39 GLY H 3.000 . 3.500 2.365 2.207 2.869 . 0 0 "[ . 1 . 2 .]" 1
212 3 38 THR H 3 39 GLY H 4.000 . 5.000 4.650 4.477 4.697 . 0 0 "[ . 1 . 2 .]" 1
213 3 39 GLY H 3 40 ASP H 4.000 . 5.000 3.064 2.154 4.170 . 0 0 "[ . 1 . 2 .]" 1
214 3 39 GLY QA 3 40 ASP H 2.500 . 2.900 2.656 2.156 2.935 0.035 10 0 "[ . 1 . 2 .]" 1
215 3 40 ASP HA 3 41 GLY H 3.000 . 3.500 3.337 2.949 3.588 0.088 3 0 "[ . 1 . 2 .]" 1
216 3 41 GLY H 3 42 TRP H 3.000 . 3.500 3.441 2.677 3.773 0.273 3 0 "[ . 1 . 2 .]" 1
217 3 41 GLY QA 3 42 TRP H 2.500 . 2.900 2.222 2.114 2.608 . 0 0 "[ . 1 . 2 .]" 1
218 3 42 TRP HA 3 43 GLU H 3.000 . 3.500 2.518 2.192 2.894 . 0 0 "[ . 1 . 2 .]" 1
219 3 42 TRP H 3 43 GLU H 4.000 . 5.000 3.051 2.062 3.826 . 0 0 "[ . 1 . 2 .]" 1
220 3 42 TRP QB 3 43 GLU HA 4.000 . 5.000 4.516 4.394 4.626 . 0 0 "[ . 1 . 2 .]" 1
221 3 42 TRP HD1 3 43 GLU HA 4.000 . 5.000 3.966 3.123 4.464 . 0 0 "[ . 1 . 2 .]" 1
222 3 43 GLU QB 3 44 PHE H 4.000 . 5.000 3.506 3.091 3.994 . 0 0 "[ . 1 . 2 .]" 1
223 3 43 GLU QB 3 44 PHE HA 4.000 . 5.000 4.393 4.193 4.681 . 0 0 "[ . 1 . 2 .]" 1
224 3 44 PHE HA 3 45 LYS H 2.500 . 2.900 2.203 2.143 2.252 . 0 0 "[ . 1 . 2 .]" 1
225 3 44 PHE H 3 45 LYS HA 4.000 . 5.000 5.013 4.844 5.392 0.392 10 0 "[ . 1 . 2 .]" 1
226 3 44 PHE QD 3 45 LYS H 4.000 . 5.000 3.574 3.233 3.726 . 0 0 "[ . 1 . 2 .]" 1
227 3 45 LYS HA 3 46 LEU H 2.500 . 2.900 2.192 2.152 2.310 . 0 0 "[ . 1 . 2 .]" 1
228 3 45 LYS HA 3 46 LEU HG 4.000 . 6.000 5.340 3.681 5.669 . 0 0 "[ . 1 . 2 .]" 1
229 3 45 LYS H 3 46 LEU QB 4.000 . 6.000 5.949 5.808 6.097 0.097 16 0 "[ . 1 . 2 .]" 1
230 3 46 LEU HA 3 47 SER H 2.500 . 2.900 2.274 2.178 2.462 . 0 0 "[ . 1 . 2 .]" 1
231 3 46 LEU QB 3 47 SER H 4.000 . 5.000 3.719 3.558 3.937 . 0 0 "[ . 1 . 2 .]" 1
232 3 47 SER HA 3 48 ASP H 4.000 . 5.000 3.595 3.556 3.620 . 0 0 "[ . 1 . 2 .]" 1
233 3 47 SER H 3 48 ASP H 2.500 . 2.900 2.716 2.534 2.941 0.041 21 0 "[ . 1 . 2 .]" 1
234 3 47 SER QB 3 48 ASP H 3.000 . 3.500 2.566 1.911 3.406 . 0 0 "[ . 1 . 2 .]" 1
235 3 47 SER QB 3 48 ASP HA 4.000 . 5.000 4.533 4.236 4.835 . 0 0 "[ . 1 . 2 .]" 1
236 3 48 ASP HA 3 49 PRO QD 4.000 . 5.000 2.159 2.125 2.325 . 0 0 "[ . 1 . 2 .]" 1
237 3 49 PRO QB 3 50 ASP H 4.000 . 5.000 4.025 3.969 4.052 . 0 0 "[ . 1 . 2 .]" 1
238 3 49 PRO QG 3 50 ASP H 4.000 . 5.000 4.673 4.145 4.977 . 0 0 "[ . 1 . 2 .]" 1
239 3 49 PRO QD 3 50 ASP H 4.000 . 5.000 3.924 3.393 4.261 . 0 0 "[ . 1 . 2 .]" 1
240 3 50 ASP H 3 51 GLU H 2.500 . 2.900 2.641 2.526 2.732 . 0 0 "[ . 1 . 2 .]" 1
241 3 50 ASP QB 3 51 GLU H 3.000 . 3.500 2.653 2.312 3.457 . 0 0 "[ . 1 . 2 .]" 1
242 3 51 GLU H 3 52 VAL MG1 4.000 . 5.500 5.646 5.589 5.718 0.218 19 0 "[ . 1 . 2 .]" 1
243 3 51 GLU H 3 52 VAL MG2 4.000 . 5.500 3.781 3.491 4.281 . 0 0 "[ . 1 . 2 .]" 1
244 3 51 GLU HA 3 52 VAL MG1 4.000 . 6.000 6.090 6.056 6.113 0.113 16 0 "[ . 1 . 2 .]" 1
245 3 51 GLU QB 3 52 VAL H 4.000 . 5.000 2.668 2.447 2.827 . 0 0 "[ . 1 . 2 .]" 1
246 3 52 VAL HB 3 53 ALA H 2.500 . 2.900 2.526 2.300 2.721 . 0 0 "[ . 1 . 2 .]" 1
247 3 52 VAL H 3 53 ALA H 2.500 . 2.900 2.687 2.544 2.785 . 0 0 "[ . 1 . 2 .]" 1
248 3 52 VAL MG1 3 53 ALA H 4.000 . 5.000 3.334 3.050 3.493 . 0 0 "[ . 1 . 2 .]" 1
249 3 52 VAL MG2 3 53 ALA H 4.000 . 5.000 3.834 3.690 3.996 . 0 0 "[ . 1 . 2 .]" 1
250 3 53 ALA MB 3 54 ARG H 2.500 . 2.900 2.432 2.250 2.585 . 0 0 "[ . 1 . 2 .]" 1
251 3 53 ALA H 3 54 ARG H 2.500 . 2.900 2.731 2.601 2.862 . 0 0 "[ . 1 . 2 .]" 1
252 3 54 ARG H 3 55 ARG H 2.500 . 2.900 2.697 2.592 2.766 . 0 0 "[ . 1 . 2 .]" 1
253 3 54 ARG QB 3 55 ARG H 4.000 . 5.000 2.532 2.367 3.522 . 0 0 "[ . 1 . 2 .]" 1
254 3 56 TRP HA 3 57 GLY H 3.000 . 3.500 3.547 3.520 3.570 0.070 6 0 "[ . 1 . 2 .]" 1
255 3 56 TRP QB 3 57 GLY H 3.000 . 3.500 2.538 2.402 2.683 . 0 0 "[ . 1 . 2 .]" 1
256 3 56 TRP HD1 3 57 GLY QA 4.000 . 5.000 3.600 3.189 4.073 . 0 0 "[ . 1 . 2 .]" 1
257 3 57 GLY H 3 58 LYS H 2.500 . 2.900 2.463 2.344 2.788 . 0 0 "[ . 1 . 2 .]" 1
258 3 57 GLY QA 3 58 LYS H 2.500 . 2.900 2.851 2.667 2.921 0.021 8 0 "[ . 1 . 2 .]" 1
259 3 58 LYS H 3 59 ARG H 2.500 . 2.900 2.703 2.577 2.797 . 0 0 "[ . 1 . 2 .]" 1
260 3 58 LYS QG 3 59 ARG H 4.000 . 5.000 3.942 2.651 4.459 . 0 0 "[ . 1 . 2 .]" 1
261 3 59 ARG HA 3 60 LYS H 3.000 . 3.500 3.486 3.387 3.544 0.044 12 0 "[ . 1 . 2 .]" 1
262 3 59 ARG H 3 60 LYS H 2.500 . 2.900 2.680 2.539 2.765 . 0 0 "[ . 1 . 2 .]" 1
263 3 59 ARG QB 3 60 LYS H 3.000 . 3.500 2.889 2.483 3.664 0.164 16 0 "[ . 1 . 2 .]" 1
264 3 60 LYS H 3 61 ASN H 3.000 . 3.500 2.529 2.347 2.852 . 0 0 "[ . 1 . 2 .]" 1
265 3 61 ASN HA 3 62 LYS H 3.000 . 3.500 2.777 2.585 3.040 . 0 0 "[ . 1 . 2 .]" 1
266 3 61 ASN QB 3 62 LYS H 4.000 . 5.000 3.891 3.720 4.012 . 0 0 "[ . 1 . 2 .]" 1
267 3 61 ASN H 3 62 LYS H 3.000 . 3.500 2.830 2.577 3.024 . 0 0 "[ . 1 . 2 .]" 1
268 3 62 LYS HA 3 63 PRO QD 3.000 . 3.500 2.121 2.054 2.188 . 0 0 "[ . 1 . 2 .]" 1
269 3 63 PRO HA 3 64 LYS H 3.000 . 3.500 3.301 2.640 3.568 0.068 1 0 "[ . 1 . 2 .]" 1
270 3 63 PRO QD 3 64 LYS H 4.000 . 5.000 3.576 2.723 4.958 . 0 0 "[ . 1 . 2 .]" 1
271 3 64 LYS HA 3 65 MET H 3.000 . 3.500 2.522 2.149 3.324 . 0 0 "[ . 1 . 2 .]" 1
272 3 64 LYS H 3 65 MET H 4.000 . 5.000 3.856 2.414 4.612 . 0 0 "[ . 1 . 2 .]" 1
273 3 64 LYS QB 3 65 MET H 4.000 . 5.000 3.406 2.587 3.954 . 0 0 "[ . 1 . 2 .]" 1
274 3 64 LYS QG 3 65 MET H 4.000 . 5.000 3.658 2.562 4.509 . 0 0 "[ . 1 . 2 .]" 1
275 3 64 LYS QE 3 65 MET H 4.000 . 5.500 5.065 3.760 5.705 0.205 17 0 "[ . 1 . 2 .]" 1
276 3 65 MET HA 3 66 ASN H 3.000 . 3.500 2.234 2.130 2.407 . 0 0 "[ . 1 . 2 .]" 1
277 3 66 ASN HA 3 67 TYR H 4.000 . 5.000 2.415 2.226 2.576 . 0 0 "[ . 1 . 2 .]" 1
278 3 66 ASN H 3 67 TYR H 4.000 . 5.000 4.631 4.533 4.670 . 0 0 "[ . 1 . 2 .]" 1
279 3 66 ASN QB 3 67 TYR H 3.000 . 4.000 2.579 2.050 3.621 . 0 0 "[ . 1 . 2 .]" 1
280 3 66 ASN QD 3 67 TYR H 4.000 . 5.000 4.498 2.807 5.070 0.070 14 0 "[ . 1 . 2 .]" 1
281 3 67 TYR H 3 68 GLU H 2.500 . 2.900 2.563 2.353 2.682 . 0 0 "[ . 1 . 2 .]" 1
282 3 67 TYR H 3 68 GLU HA 4.000 . 5.000 5.126 4.918 5.256 0.256 9 0 "[ . 1 . 2 .]" 1
283 3 67 TYR QB 3 68 GLU H 3.000 . 3.500 2.954 2.509 3.134 . 0 0 "[ . 1 . 2 .]" 1
284 3 67 TYR QB 3 68 GLU QG 4.000 . 6.000 4.339 3.465 5.962 . 0 0 "[ . 1 . 2 .]" 1
285 3 67 TYR QD 3 68 GLU H 4.000 . 5.000 4.027 3.363 4.422 . 0 0 "[ . 1 . 2 .]" 1
286 3 67 TYR QD 3 68 GLU HA 4.000 . 6.000 3.557 2.796 4.224 . 0 0 "[ . 1 . 2 .]" 1
287 3 68 GLU H 3 69 LYS H 2.500 . 2.900 2.721 2.580 2.851 . 0 0 "[ . 1 . 2 .]" 1
288 3 68 GLU QB 3 69 LYS H 3.000 . 3.500 2.752 2.580 3.486 . 0 0 "[ . 1 . 2 .]" 1
289 3 69 LYS HA 3 70 LEU H 4.000 . 5.000 3.537 3.502 3.574 . 0 0 "[ . 1 . 2 .]" 1
290 3 69 LYS HA 3 70 LEU QB 4.000 . 6.000 5.327 5.250 5.401 . 0 0 "[ . 1 . 2 .]" 1
291 3 69 LYS H 3 70 LEU H 2.500 . 2.900 2.727 2.661 2.841 . 0 0 "[ . 1 . 2 .]" 1
292 3 69 LYS QB 3 70 LEU H 4.000 . 5.000 2.907 2.469 3.600 . 0 0 "[ . 1 . 2 .]" 1
293 3 69 LYS QB 3 70 LEU QD 4.000 . 5.000 4.039 2.675 4.914 . 0 0 "[ . 1 . 2 .]" 1
294 3 69 LYS QD 3 70 LEU H 4.000 . 5.000 3.964 2.938 5.007 0.007 20 0 "[ . 1 . 2 .]" 1
295 3 69 LYS QD 3 70 LEU QD 4.000 . 5.000 4.175 2.076 5.303 0.303 9 0 "[ . 1 . 2 .]" 1
296 3 70 LEU H 3 71 SER H 2.500 . 2.900 2.652 2.515 2.721 . 0 0 "[ . 1 . 2 .]" 1
297 3 72 ARG H 3 73 GLY H 3.000 . 3.500 2.620 2.377 2.744 . 0 0 "[ . 1 . 2 .]" 1
298 3 72 ARG H 3 73 GLY QA 4.000 . 5.000 4.563 4.330 4.680 . 0 0 "[ . 1 . 2 .]" 1
299 3 73 GLY H 3 74 LEU H 2.500 . 2.900 2.586 2.417 2.795 . 0 0 "[ . 1 . 2 .]" 1
300 3 73 GLY QA 3 74 LEU H 4.000 . 5.000 2.682 2.588 2.754 . 0 0 "[ . 1 . 2 .]" 1
301 3 73 GLY QA 3 74 LEU QD 4.000 . 5.000 4.738 4.373 5.169 0.169 11 0 "[ . 1 . 2 .]" 1
302 3 74 LEU HG 3 75 ARG H 4.000 . 5.000 4.825 4.075 5.038 0.038 23 0 "[ . 1 . 2 .]" 1
303 3 74 LEU H 3 75 ARG H 2.500 . 2.900 2.742 2.564 2.888 . 0 0 "[ . 1 . 2 .]" 1
304 3 74 LEU QB 3 75 ARG H 4.000 . 5.000 2.690 2.418 3.055 . 0 0 "[ . 1 . 2 .]" 1
305 3 76 TYR H 3 77 TYR H 2.500 . 2.900 2.557 2.376 2.738 . 0 0 "[ . 1 . 2 .]" 1
306 3 76 TYR QB 3 77 TYR H 4.000 . 5.000 3.132 2.924 3.280 . 0 0 "[ . 1 . 2 .]" 1
307 3 77 TYR H 3 78 TYR H 4.000 . 5.000 2.957 2.697 3.795 . 0 0 "[ . 1 . 2 .]" 1
308 3 78 TYR H 3 79 ASP H 4.000 . 5.000 2.925 1.924 4.295 . 0 0 "[ . 1 . 2 .]" 1
309 3 78 TYR QB 3 79 ASP H 4.000 . 5.000 3.656 3.458 3.948 . 0 0 "[ . 1 . 2 .]" 1
310 3 79 ASP HA 3 80 LYS H 3.000 . 3.500 3.517 3.470 3.559 0.059 20 0 "[ . 1 . 2 .]" 1
311 3 79 ASP H 3 80 LYS H 3.000 . 3.500 2.529 2.379 2.942 . 0 0 "[ . 1 . 2 .]" 1
312 3 80 LYS HA 3 81 ASN H 4.000 . 5.000 2.500 2.208 3.580 . 0 0 "[ . 1 . 2 .]" 1
313 3 80 LYS H 3 81 ASN HA 4.000 . 5.000 4.868 4.421 5.037 0.037 15 0 "[ . 1 . 2 .]" 1
314 3 80 LYS H 3 81 ASN H 4.000 . 5.000 4.153 2.441 4.538 . 0 0 "[ . 1 . 2 .]" 1
315 3 80 LYS QB 3 81 ASN H 4.000 . 5.000 2.902 1.749 3.708 0.051 9 0 "[ . 1 . 2 .]" 1
316 3 80 LYS QG 3 81 ASN H 4.000 . 5.000 3.838 1.697 4.221 0.103 20 0 "[ . 1 . 2 .]" 1
317 3 81 ASN HA 3 82 ILE H 3.000 . 3.500 2.247 2.197 2.344 . 0 0 "[ . 1 . 2 .]" 1
318 3 81 ASN HA 3 82 ILE HB 4.000 . 5.000 4.762 4.481 5.062 0.062 22 0 "[ . 1 . 2 .]" 1
319 3 81 ASN HA 3 82 ILE MD 4.000 . 5.500 5.757 5.677 5.855 0.355 22 0 "[ . 1 . 2 .]" 1
320 3 81 ASN H 3 82 ILE H 4.000 . 5.000 3.939 3.259 4.196 . 0 0 "[ . 1 . 2 .]" 1
321 3 81 ASN QB 3 82 ILE MD 4.000 . 6.000 5.677 5.247 6.106 0.106 13 0 "[ . 1 . 2 .]" 1
322 3 81 ASN QB 3 82 ILE MG 4.000 . 5.500 5.019 4.460 5.463 . 0 0 "[ . 1 . 2 .]" 1
323 3 82 ILE HA 3 83 ILE H 4.000 . 5.000 3.552 3.459 3.604 . 0 0 "[ . 1 . 2 .]" 1
324 3 82 ILE H 3 83 ILE H 4.000 . 5.000 2.491 1.835 3.325 . 0 0 "[ . 1 . 2 .]" 1
325 3 82 ILE MD 3 83 ILE HA 4.000 . 5.500 3.618 3.062 3.876 . 0 0 "[ . 1 . 2 .]" 1
326 3 82 ILE MG 3 83 ILE HA 4.000 . 5.000 3.915 3.587 4.332 . 0 0 "[ . 1 . 2 .]" 1
327 3 82 ILE MG 3 83 ILE H 4.000 . 5.000 1.740 1.649 1.993 0.151 15 0 "[ . 1 . 2 .]" 1
328 3 82 ILE MG 3 83 ILE MG 4.000 . 5.000 2.175 2.011 2.388 . 0 0 "[ . 1 . 2 .]" 1
329 3 83 ILE HA 3 84 HIS H 2.500 . 2.900 2.176 2.128 2.233 . 0 0 "[ . 1 . 2 .]" 1
330 3 83 ILE HA 3 84 HIS HD2 4.000 . 5.000 3.435 3.038 4.026 . 0 0 "[ . 1 . 2 .]" 1
331 3 83 ILE MG 3 84 HIS H 4.000 . 5.000 3.938 3.764 4.130 . 0 0 "[ . 1 . 2 .]" 1
332 3 84 HIS HA 3 85 LYS H 2.500 . 2.900 2.312 2.175 2.481 . 0 0 "[ . 1 . 2 .]" 1
333 3 84 HIS QB 3 85 LYS H 3.000 . 3.500 2.794 2.393 3.502 0.002 10 0 "[ . 1 . 2 .]" 1
334 3 85 LYS HA 3 86 THR H 2.500 . 3.000 2.282 2.173 2.558 . 0 0 "[ . 1 . 2 .]" 1
335 3 85 LYS QG 3 86 THR H 4.000 . 5.000 3.356 1.996 4.229 . 0 0 "[ . 1 . 2 .]" 1
336 3 86 THR HA 3 87 ALA H 3.000 . 3.500 2.223 2.187 2.261 . 0 0 "[ . 1 . 2 .]" 1
337 3 86 THR HA 3 87 ALA MB 4.000 . 5.000 4.057 4.032 4.103 . 0 0 "[ . 1 . 2 .]" 1
338 3 86 THR MG 3 87 ALA H 4.000 . 5.000 2.533 2.188 2.830 . 0 0 "[ . 1 . 2 .]" 1
339 3 86 THR MG 3 87 ALA MB 4.000 . 5.000 3.698 3.389 3.960 . 0 0 "[ . 1 . 2 .]" 1
340 3 87 ALA HA 3 88 GLY H 3.000 . 3.500 3.068 2.653 3.381 . 0 0 "[ . 1 . 2 .]" 1
341 3 87 ALA MB 3 88 GLY QA 4.000 . 5.000 3.891 3.705 4.053 . 0 0 "[ . 1 . 2 .]" 1
342 3 87 ALA MB 3 88 GLY H 4.000 . 5.000 3.518 3.112 3.730 . 0 0 "[ . 1 . 2 .]" 1
343 3 88 GLY H 3 89 LYS H 3.000 . 3.500 3.170 2.487 3.814 0.314 10 0 "[ . 1 . 2 .]" 1
344 3 88 GLY QA 3 89 LYS H 2.500 . 2.900 2.329 2.127 2.782 . 0 0 "[ . 1 . 2 .]" 1
345 3 89 LYS HA 3 90 ARG H 3.000 . 3.500 2.992 2.454 3.598 0.098 18 0 "[ . 1 . 2 .]" 1
346 3 90 ARG HA 3 91 TYR H 3.000 . 3.500 3.433 2.397 3.581 0.081 18 0 "[ . 1 . 2 .]" 1
347 3 90 ARG H 3 91 TYR H 4.000 . 5.000 2.337 1.801 4.671 . 0 0 "[ . 1 . 2 .]" 1
348 3 90 ARG QB 3 91 TYR H 4.000 . 5.000 2.910 1.948 3.452 . 0 0 "[ . 1 . 2 .]" 1
349 3 90 ARG QG 3 91 TYR QE 4.000 . 5.000 4.355 2.351 5.104 0.104 15 0 "[ . 1 . 2 .]" 1
350 3 90 ARG QB 3 91 TYR QE 4.000 . 5.000 3.463 2.800 5.008 0.008 10 0 "[ . 1 . 2 .]" 1
351 3 90 ARG HA 3 91 TYR QE 4.000 . 6.000 5.857 4.116 6.269 0.269 23 0 "[ . 1 . 2 .]" 1
352 3 91 TYR HA 3 92 VAL H 4.000 . 5.000 3.168 2.771 3.414 . 0 0 "[ . 1 . 2 .]" 1
353 3 91 TYR QB 3 92 VAL MG1 4.000 . 5.000 3.928 3.152 5.189 0.189 12 0 "[ . 1 . 2 .]" 1
354 3 91 TYR H 3 92 VAL H 4.000 . 5.000 2.585 2.282 3.438 . 0 0 "[ . 1 . 2 .]" 1
355 3 91 TYR H 3 92 VAL MG1 4.000 . 5.000 3.920 3.291 5.416 0.416 12 0 "[ . 1 . 2 .]" 1
356 3 92 VAL HA 3 93 TYR H 2.500 . 3.000 2.144 2.107 2.198 . 0 0 "[ . 1 . 2 .]" 1
357 3 92 VAL MG2 3 93 TYR H 4.000 . 5.000 4.182 4.010 4.309 . 0 0 "[ . 1 . 2 .]" 1
358 3 93 TYR HA 3 94 ARG H 2.500 . 3.000 2.335 2.210 2.488 . 0 0 "[ . 1 . 2 .]" 1
359 3 93 TYR H 3 94 ARG QB 4.000 . 6.000 5.005 4.586 5.843 . 0 0 "[ . 1 . 2 .]" 1
360 3 94 ARG HA 3 95 PHE H 4.000 . 5.000 2.348 2.239 2.466 . 0 0 "[ . 1 . 2 .]" 1
361 3 94 ARG HA 3 95 PHE QE 4.000 . 5.000 3.885 3.627 4.167 . 0 0 "[ . 1 . 2 .]" 1
362 3 94 ARG QB 3 95 PHE H 4.000 . 5.000 3.165 2.420 3.607 . 0 0 "[ . 1 . 2 .]" 1
363 3 95 PHE HA 3 96 VAL H 2.500 . 2.900 2.316 2.162 2.435 . 0 0 "[ . 1 . 2 .]" 1
364 3 95 PHE QB 3 96 VAL H 4.000 . 5.000 2.659 2.423 3.112 . 0 0 "[ . 1 . 2 .]" 1
365 3 95 PHE QB 3 96 VAL MG1 4.000 . 5.000 4.276 3.989 4.561 . 0 0 "[ . 1 . 2 .]" 1
366 3 61 ASN QB 3 62 LYS QE 4.000 . 5.000 4.964 4.404 5.254 0.254 10 0 "[ . 1 . 2 .]" 1
367 3 2 ILE H 3 4 ALA MB 4.000 . 5.500 5.709 5.506 5.813 0.313 14 0 "[ . 1 . 2 .]" 1
368 3 2 ILE HB 3 4 ALA H 4.000 . 5.000 4.651 3.086 5.175 0.175 17 0 "[ . 1 . 2 .]" 1
369 3 2 ILE MD 3 6 ALA MB 4.000 . 5.500 5.142 2.361 5.745 0.245 5 0 "[ . 1 . 2 .]" 1
370 3 2 ILE MG 3 4 ALA MB 4.000 . 5.000 4.233 2.004 4.911 . 0 0 "[ . 1 . 2 .]" 1
371 3 2 ILE MG 3 6 ALA MB 4.000 . 5.000 4.265 3.054 5.306 0.306 11 0 "[ . 1 . 2 .]" 1
372 3 3 PRO QB 3 7 LEU QB 4.000 . 5.000 3.819 2.171 4.884 . 0 0 "[ . 1 . 2 .]" 1
373 3 3 PRO QB 3 7 LEU QD 3.000 . 3.300 2.591 1.873 3.433 0.133 3 0 "[ . 1 . 2 .]" 1
374 3 4 ALA HA 3 7 LEU QD 4.000 . 5.000 3.576 2.260 5.204 0.204 3 0 "[ . 1 . 2 .]" 1
375 3 4 ALA MB 3 7 LEU QD 4.000 . 5.000 4.375 3.394 5.206 0.206 11 0 "[ . 1 . 2 .]" 1
376 3 6 ALA HA 3 9 GLY QA 4.000 . 5.000 4.473 3.260 5.271 0.271 4 0 "[ . 1 . 2 .]" 1
377 3 8 ALA H 3 10 TYR H 4.000 . 5.000 4.788 3.800 5.235 0.235 15 0 "[ . 1 . 2 .]" 1
378 3 10 TYR QE 3 12 GLY QA 4.000 . 6.000 4.900 2.565 6.193 0.193 20 0 "[ . 1 . 2 .]" 1
379 3 10 TYR QE 3 14 GLY QA 4.000 . 6.000 5.434 3.540 6.253 0.253 6 0 "[ . 1 . 2 .]" 1
380 3 10 TYR QE 3 16 ILE HB 4.000 . 5.000 3.748 2.361 5.250 0.250 4 0 "[ . 1 . 2 .]" 1
381 3 10 TYR QD 3 16 ILE MD 4.000 . 5.000 3.253 2.358 4.856 . 0 0 "[ . 1 . 2 .]" 1
382 3 10 TYR QE 3 16 ILE HA 4.000 . 5.000 4.168 2.570 5.091 0.091 5 0 "[ . 1 . 2 .]" 1
383 3 11 THR HA 3 13 SER H 4.000 . 5.000 4.106 3.099 5.148 0.148 13 0 "[ . 1 . 2 .]" 1
384 3 11 THR H 3 13 SER H 4.000 . 5.000 4.200 3.340 5.228 0.228 13 0 "[ . 1 . 2 .]" 1
385 3 16 ILE MD 3 20 GLN QE 4.000 . 5.500 3.744 1.740 5.556 0.060 15 0 "[ . 1 . 2 .]" 1
386 3 16 ILE MD 3 21 PHE H 4.000 . 5.000 4.358 3.083 5.379 0.379 4 0 "[ . 1 . 2 .]" 1
387 3 16 ILE MD 3 21 PHE HA 4.000 . 5.000 3.566 2.135 4.963 . 0 0 "[ . 1 . 2 .]" 1
388 3 16 ILE MG 3 20 GLN QE 4.000 . 5.000 4.476 2.882 5.140 0.140 20 0 "[ . 1 . 2 .]" 1
389 3 16 ILE MG 3 21 PHE QE 4.000 . 5.500 5.010 4.324 5.657 0.157 20 0 "[ . 1 . 2 .]" 1
390 3 17 GLN QB 3 20 GLN H 4.000 . 5.000 2.521 2.252 3.359 . 0 0 "[ . 1 . 2 .]" 1
391 3 17 GLN QG 3 19 TRP H 4.000 . 5.000 4.021 2.328 4.502 . 0 0 "[ . 1 . 2 .]" 1
392 3 17 GLN QG 3 19 TRP HE1 3.000 . 3.500 2.766 2.166 3.369 . 0 0 "[ . 1 . 2 .]" 1
393 3 17 GLN HA 3 19 TRP HE1 4.000 . 6.000 5.930 5.476 6.298 0.298 22 0 "[ . 1 . 2 .]" 1
394 3 18 LEU HA 3 21 PHE QB 4.000 . 5.000 3.141 2.395 3.643 . 0 0 "[ . 1 . 2 .]" 1
395 3 18 LEU H 3 21 PHE QB 4.000 . 5.000 4.947 4.642 5.118 0.118 5 0 "[ . 1 . 2 .]" 1
396 3 18 LEU QD 3 21 PHE QB 4.000 . 5.000 4.012 3.006 4.811 . 0 0 "[ . 1 . 2 .]" 1
397 3 18 LEU QD 3 21 PHE H 4.000 . 5.000 4.628 3.951 5.022 0.022 6 0 "[ . 1 . 2 .]" 1
398 3 18 LEU QD 3 21 PHE QD 4.000 . 5.000 3.972 2.888 4.660 . 0 0 "[ . 1 . 2 .]" 1
399 3 18 LEU QD 3 21 PHE QE 4.000 . 5.500 5.195 4.090 5.725 0.225 21 0 "[ . 1 . 2 .]" 1
400 3 18 LEU QD 3 22 LEU HA 4.000 . 5.500 5.039 4.405 5.531 0.031 11 0 "[ . 1 . 2 .]" 1
401 3 18 LEU QD 3 22 LEU HG 4.000 . 5.000 4.642 3.129 5.087 0.087 12 0 "[ . 1 . 2 .]" 1
402 3 18 LEU QD 3 22 LEU H 4.000 . 5.000 3.752 3.225 4.377 . 0 0 "[ . 1 . 2 .]" 1
403 3 18 LEU QD 3 22 LEU QB 3.000 . 3.300 2.948 2.470 3.580 0.280 14 0 "[ . 1 . 2 .]" 1
404 3 18 LEU QD 3 22 LEU MD1 4.000 . 5.500 4.041 2.255 5.172 . 0 0 "[ . 1 . 2 .]" 1
405 3 18 LEU QD 3 22 LEU MD2 4.000 . 5.500 3.476 2.776 5.113 . 0 0 "[ . 1 . 2 .]" 1
406 3 19 TRP HA 3 23 LEU MD2 4.000 . 5.500 5.469 3.455 5.810 0.310 1 0 "[ . 1 . 2 .]" 1
407 3 19 TRP HH2 3 23 LEU QD 4.000 . 5.000 4.364 3.842 5.252 0.252 14 0 "[ . 1 . 2 .]" 1
408 3 19 TRP HE3 3 23 LEU QD 4.000 . 5.000 2.508 2.033 3.044 . 0 0 "[ . 1 . 2 .]" 1
409 3 20 GLN H 3 23 LEU QB 4.000 . 5.000 4.614 4.323 5.088 0.088 2 0 "[ . 1 . 2 .]" 1
410 3 21 PHE HA 3 24 GLU H 4.000 . 5.000 3.636 3.385 3.971 . 0 0 "[ . 1 . 2 .]" 1
411 3 21 PHE HA 3 24 GLU QB 4.000 . 5.000 2.895 2.453 4.220 . 0 0 "[ . 1 . 2 .]" 1
412 3 21 PHE HZ 3 25 LEU MD1 4.000 . 5.000 4.413 2.381 5.147 0.147 6 0 "[ . 1 . 2 .]" 1
413 3 21 PHE HZ 3 25 LEU MD2 4.000 . 5.000 3.354 2.273 4.738 . 0 0 "[ . 1 . 2 .]" 1
414 3 22 LEU HA 3 26 LEU H 4.000 . 5.000 4.073 3.611 4.787 . 0 0 "[ . 1 . 2 .]" 1
415 3 22 LEU QD 3 26 LEU QD 4.000 . 5.500 2.922 2.030 3.855 . 0 0 "[ . 1 . 2 .]" 1
416 3 23 LEU HA 3 26 LEU QB 4.000 . 5.000 2.395 2.128 2.738 . 0 0 "[ . 1 . 2 .]" 1
417 3 23 LEU HA 3 26 LEU MD1 4.000 . 5.000 3.387 2.237 4.846 . 0 0 "[ . 1 . 2 .]" 1
418 3 23 LEU HA 3 26 LEU MD2 4.000 . 5.000 3.566 2.921 4.626 . 0 0 "[ . 1 . 2 .]" 1
419 3 23 LEU H 3 26 LEU QB 4.000 . 5.000 4.575 4.198 5.205 0.205 23 0 "[ . 1 . 2 .]" 1
420 3 23 LEU QD 3 27 THR MG 4.000 . 5.000 3.048 2.165 4.075 . 0 0 "[ . 1 . 2 .]" 1
421 3 24 GLU HA 3 27 THR MG 4.000 . 5.000 4.337 3.519 5.001 0.001 19 0 "[ . 1 . 2 .]" 1
422 3 25 LEU HA 3 28 ASP H 4.000 . 5.000 4.183 3.408 4.843 . 0 0 "[ . 1 . 2 .]" 1
423 3 29 LYS QD 3 32 GLN QB 4.000 . 6.000 6.046 5.109 6.463 0.463 20 0 "[ . 1 . 2 .]" 1
424 3 29 LYS QG 3 31 CYS H 4.000 . 5.000 3.567 1.752 5.312 0.312 1 0 "[ . 1 . 2 .]" 1
425 3 30 SER HA 3 32 GLN H 4.000 . 5.000 4.048 3.155 5.142 0.142 17 0 "[ . 1 . 2 .]" 1
426 3 30 SER QB 3 34 PHE QE 4.000 . 5.000 4.932 2.652 5.285 0.285 11 0 "[ . 1 . 2 .]" 1
427 3 32 GLN QG 3 36 SER QB 4.000 . 6.000 5.398 4.311 6.354 0.354 13 0 "[ . 1 . 2 .]" 1
428 3 32 GLN HA 3 34 PHE H 4.000 . 5.000 4.199 3.351 4.871 . 0 0 "[ . 1 . 2 .]" 1
429 3 32 GLN HA 3 35 ILE H 4.000 . 6.000 3.544 3.195 4.219 . 0 0 "[ . 1 . 2 .]" 1
430 3 32 GLN H 3 34 PHE H 4.000 . 5.000 4.203 3.478 5.102 0.102 6 0 "[ . 1 . 2 .]" 1
431 3 32 GLN QG 3 35 ILE MG 4.000 . 5.000 4.937 4.148 5.256 0.256 14 0 "[ . 1 . 2 .]" 1
432 3 35 ILE MG 3 37 TRP HD1 4.000 . 5.500 4.106 3.343 5.354 . 0 0 "[ . 1 . 2 .]" 1
433 3 35 ILE MD 3 67 TYR QE 4.000 . 6.000 5.547 5.096 6.072 0.072 16 0 "[ . 1 . 2 .]" 1
434 3 38 THR H 3 43 GLU H 4.000 . 5.000 4.636 3.997 5.076 0.076 9 0 "[ . 1 . 2 .]" 1
435 3 37 TRP HH2 3 42 TRP HE1 4.000 . 5.000 4.105 3.200 4.841 . 0 0 "[ . 1 . 2 .]" 1
436 3 37 TRP HZ2 3 42 TRP HA 4.000 . 6.000 5.371 4.699 6.111 0.111 10 0 "[ . 1 . 2 .]" 1
437 3 37 TRP HZ2 3 42 TRP HE1 4.000 . 5.000 4.942 4.312 5.204 0.204 5 0 "[ . 1 . 2 .]" 1
438 3 41 GLY QA 3 43 GLU H 4.000 . 5.000 4.479 3.709 5.100 0.100 15 0 "[ . 1 . 2 .]" 1
439 3 42 TRP HA 3 44 PHE H 4.000 . 6.000 5.513 4.265 5.885 . 0 0 "[ . 1 . 2 .]" 1
440 3 43 GLU QB 3 45 LYS H 4.000 . 6.000 5.257 4.837 5.951 . 0 0 "[ . 1 . 2 .]" 1
441 3 44 PHE HZ 3 46 LEU MD2 4.000 . 5.500 5.069 3.631 5.567 0.067 21 0 "[ . 1 . 2 .]" 1
442 3 46 LEU H 3 49 PRO QD 4.000 . 6.000 5.487 5.158 5.665 . 0 0 "[ . 1 . 2 .]" 1
443 3 46 LEU QB 3 48 ASP H 4.000 . 5.000 4.585 3.917 4.976 . 0 0 "[ . 1 . 2 .]" 1
444 3 46 LEU HG 3 49 PRO QB 4.000 . 5.000 3.693 2.943 4.610 . 0 0 "[ . 1 . 2 .]" 1
445 3 46 LEU QD 3 48 ASP H 4.000 . 5.500 5.274 4.345 5.578 0.078 4 0 "[ . 1 . 2 .]" 1
446 3 46 LEU QD 3 49 PRO HA 4.000 . 5.500 4.633 3.256 5.338 . 0 0 "[ . 1 . 2 .]" 1
447 3 46 LEU QD 3 49 PRO QB 4.000 . 5.000 2.896 1.992 3.538 . 0 0 "[ . 1 . 2 .]" 1
448 3 49 PRO HA 3 52 VAL HB 4.000 . 5.000 2.915 2.492 3.335 . 0 0 "[ . 1 . 2 .]" 1
449 3 49 PRO HA 3 52 VAL H 4.000 . 5.000 3.214 2.955 3.372 . 0 0 "[ . 1 . 2 .]" 1
450 3 49 PRO QB 3 51 GLU H 4.000 . 5.000 4.883 4.619 5.094 0.094 12 0 "[ . 1 . 2 .]" 1
451 3 49 PRO QB 3 52 VAL H 4.000 . 5.000 3.836 3.581 4.340 . 0 0 "[ . 1 . 2 .]" 1
452 3 50 ASP HA 3 53 ALA H 4.000 . 5.000 3.957 3.531 4.300 . 0 0 "[ . 1 . 2 .]" 1
453 3 50 ASP HA 3 53 ALA MB 4.000 . 5.000 3.233 2.769 3.692 . 0 0 "[ . 1 . 2 .]" 1
454 3 51 GLU QB 3 54 ARG QB 4.000 . 5.000 4.389 4.015 5.253 0.253 9 0 "[ . 1 . 2 .]" 1
455 3 51 GLU QB 3 55 ARG H 4.000 . 5.000 4.641 4.113 5.208 0.208 4 0 "[ . 1 . 2 .]" 1
456 3 52 VAL HA 3 56 TRP QB 4.000 . 5.000 4.466 4.139 4.778 . 0 0 "[ . 1 . 2 .]" 1
457 3 52 VAL HB 3 55 ARG H 4.000 . 5.500 5.549 5.424 5.613 0.113 6 0 "[ . 1 . 2 .]" 1
458 3 52 VAL HB 3 56 TRP H 4.000 . 5.500 5.567 5.414 5.676 0.176 3 0 "[ . 1 . 2 .]" 1
459 3 52 VAL MG1 3 56 TRP HZ3 4.000 . 5.000 3.950 3.079 4.709 . 0 0 "[ . 1 . 2 .]" 1
460 3 53 ALA HA 3 55 ARG H 4.000 . 5.000 4.534 4.391 4.711 . 0 0 "[ . 1 . 2 .]" 1
461 3 53 ALA HA 3 56 TRP H 4.000 . 5.000 3.467 3.117 3.856 . 0 0 "[ . 1 . 2 .]" 1
462 3 53 ALA HA 3 56 TRP HE3 4.000 . 6.000 5.065 4.069 5.980 . 0 0 "[ . 1 . 2 .]" 1
463 3 53 ALA MB 3 67 TYR H 4.000 . 5.000 4.128 3.149 5.020 0.020 7 0 "[ . 1 . 2 .]" 1
464 3 56 TRP HA 3 58 LYS H 4.000 . 5.000 4.409 4.064 4.881 . 0 0 "[ . 1 . 2 .]" 1
465 3 57 GLY QA 3 60 LYS QB 4.000 . 5.000 3.079 2.315 4.624 . 0 0 "[ . 1 . 2 .]" 1
466 3 58 LYS HA 3 60 LYS H 4.000 . 5.000 3.896 3.448 4.193 . 0 0 "[ . 1 . 2 .]" 1
467 3 58 LYS HA 3 61 ASN H 4.000 . 5.000 3.445 3.096 3.972 . 0 0 "[ . 1 . 2 .]" 1
468 3 58 LYS HA 3 62 LYS H 4.000 . 5.000 2.952 2.202 3.746 . 0 0 "[ . 1 . 2 .]" 1
469 3 58 LYS H 3 60 LYS H 4.000 . 5.000 4.110 3.800 4.787 . 0 0 "[ . 1 . 2 .]" 1
470 3 67 TYR HA 3 70 LEU QD 4.000 . 5.000 2.963 2.376 3.586 . 0 0 "[ . 1 . 2 .]" 1
471 3 67 TYR H 3 70 LEU QB 4.000 . 5.500 5.723 5.506 5.815 0.315 18 0 "[ . 1 . 2 .]" 1
472 3 67 TYR QD 3 70 LEU QD 4.000 . 5.000 2.985 2.247 4.553 . 0 0 "[ . 1 . 2 .]" 1
473 3 67 TYR QE 3 70 LEU QD 4.000 . 5.000 2.923 2.192 4.808 . 0 0 "[ . 1 . 2 .]" 1
474 3 67 TYR H 3 70 LEU QD 4.000 . 5.500 5.312 4.844 5.623 0.123 20 0 "[ . 1 . 2 .]" 1
475 3 67 TYR H 3 69 LYS H 4.000 . 6.000 4.413 3.950 4.756 . 0 0 "[ . 1 . 2 .]" 1
476 3 67 TYR QB 3 69 LYS H 4.000 . 5.000 4.835 4.532 5.070 0.070 13 0 "[ . 1 . 2 .]" 1
477 3 68 GLU HA 3 72 ARG H 4.000 . 5.000 4.145 3.817 4.736 . 0 0 "[ . 1 . 2 .]" 1
478 3 69 LYS HA 3 72 ARG H 4.000 . 6.000 3.495 3.321 3.816 . 0 0 "[ . 1 . 2 .]" 1
479 3 69 LYS HA 3 72 ARG QB 4.000 . 5.000 2.784 2.348 3.539 . 0 0 "[ . 1 . 2 .]" 1
480 3 70 LEU HA 3 72 ARG H 4.000 . 5.000 4.423 4.180 4.706 . 0 0 "[ . 1 . 2 .]" 1
481 3 70 LEU HA 3 73 GLY H 3.000 . 3.500 3.362 3.007 3.532 0.032 6 0 "[ . 1 . 2 .]" 1
482 3 70 LEU QD 3 73 GLY QA 4.000 . 6.000 4.355 3.460 4.955 . 0 0 "[ . 1 . 2 .]" 1
483 3 70 LEU QD 3 74 LEU QD 4.000 . 5.000 2.664 2.161 3.466 . 0 0 "[ . 1 . 2 .]" 1
484 3 70 LEU QB 3 75 ARG H 4.000 . 6.000 5.678 5.079 6.145 0.145 8 0 "[ . 1 . 2 .]" 1
485 3 70 LEU H 3 72 ARG QB 4.000 . 6.000 5.050 4.752 5.601 . 0 0 "[ . 1 . 2 .]" 1
486 3 71 SER HA 3 75 ARG H 4.000 . 5.000 3.493 3.048 4.149 . 0 0 "[ . 1 . 2 .]" 1
487 3 72 ARG QB 3 74 LEU H 4.000 . 5.000 4.843 4.670 5.014 0.014 15 0 "[ . 1 . 2 .]" 1
488 3 73 GLY QA 3 75 ARG H 4.000 . 5.000 4.070 3.570 4.349 . 0 0 "[ . 1 . 2 .]" 1
489 3 74 LEU HA 3 77 TYR H 3.000 . 3.500 3.253 2.873 3.461 . 0 0 "[ . 1 . 2 .]" 1
490 3 74 LEU H 3 77 TYR QB 4.000 . 5.000 4.525 4.062 4.869 . 0 0 "[ . 1 . 2 .]" 1
491 3 74 LEU HA 3 77 TYR QD 4.000 . 5.000 3.906 3.340 4.165 . 0 0 "[ . 1 . 2 .]" 1
492 3 74 LEU QB 3 77 TYR QD 4.000 . 6.000 5.388 4.903 5.710 . 0 0 "[ . 1 . 2 .]" 1
493 3 74 LEU QD 3 77 TYR QD 3.000 . 3.800 3.320 2.675 4.001 0.201 14 0 "[ . 1 . 2 .]" 1
494 3 74 LEU QD 3 77 TYR QE 4.000 . 5.000 4.541 4.069 5.234 0.234 16 0 "[ . 1 . 2 .]" 1
495 3 74 LEU QD 3 77 TYR QB 4.000 . 5.000 2.364 2.068 2.957 . 0 0 "[ . 1 . 2 .]" 1
496 3 74 LEU QD 3 78 TYR H 4.000 . 5.500 4.939 4.504 5.659 0.159 7 0 "[ . 1 . 2 .]" 1
497 3 74 LEU QD 3 78 TYR QB 4.000 . 5.500 5.594 5.181 5.912 0.412 21 0 "[ . 1 . 2 .]" 1
498 3 75 ARG HA 3 78 TYR QD 4.000 . 6.000 3.634 2.889 4.757 . 0 0 "[ . 1 . 2 .]" 1
499 3 75 ARG QG 3 77 TYR H 4.000 . 5.000 4.595 3.972 5.182 0.182 22 0 "[ . 1 . 2 .]" 1
500 3 77 TYR QE 3 79 ASP QB 4.000 . 6.000 5.234 4.113 5.750 . 0 0 "[ . 1 . 2 .]" 1
501 3 77 TYR HA 3 82 ILE MG 4.000 . 5.500 5.514 5.079 5.819 0.319 21 0 "[ . 1 . 2 .]" 1
502 3 77 TYR QE 3 82 ILE HA 4.000 . 6.000 6.106 5.801 6.330 0.330 13 0 "[ . 1 . 2 .]" 1
503 3 77 TYR QE 3 82 ILE MD 4.000 . 5.000 4.644 3.787 5.098 0.098 10 0 "[ . 1 . 2 .]" 1
504 3 77 TYR QE 3 82 ILE QG 4.000 . 6.000 3.631 2.921 4.330 . 0 0 "[ . 1 . 2 .]" 1
505 3 77 TYR QD 3 82 ILE MG 3.000 . 3.800 2.659 2.163 3.193 . 0 0 "[ . 1 . 2 .]" 1
506 3 77 TYR QE 3 82 ILE MG 4.000 . 5.500 2.145 2.015 2.247 . 0 0 "[ . 1 . 2 .]" 1
507 3 78 TYR QD 3 83 ILE MG 4.000 . 5.500 4.441 3.262 5.469 . 0 0 "[ . 1 . 2 .]" 1
508 3 79 ASP HA 3 81 ASN H 4.000 . 6.000 6.172 5.966 6.492 0.492 9 0 "[ . 1 . 2 .]" 1
509 3 82 ILE MD 3 84 HIS HD2 4.000 . 5.500 5.212 4.891 5.463 . 0 0 "[ . 1 . 2 .]" 1
510 3 82 ILE MG 3 84 HIS HD2 4.000 . 5.000 4.267 3.732 5.144 0.144 13 0 "[ . 1 . 2 .]" 1
511 3 86 THR HA 3 88 GLY H 4.000 . 6.000 3.819 3.452 4.342 . 0 0 "[ . 1 . 2 .]" 1
512 3 86 THR MG 3 88 GLY QA 4.000 . 5.500 2.680 2.432 3.225 . 0 0 "[ . 1 . 2 .]" 1
513 3 88 GLY QA 3 92 VAL MG2 4.000 . 5.500 2.892 2.198 5.450 . 0 0 "[ . 1 . 2 .]" 1
514 3 89 LYS QG 3 91 TYR H 4.000 . 6.000 3.899 2.150 5.788 . 0 0 "[ . 1 . 2 .]" 1
515 3 89 LYS QG 3 91 TYR QE 4.000 . 6.000 5.469 4.515 6.120 0.120 9 0 "[ . 1 . 2 .]" 1
516 3 90 ARG QB 3 92 VAL H 4.000 . 5.000 4.594 3.196 4.832 . 0 0 "[ . 1 . 2 .]" 1
517 3 90 ARG QB 3 92 VAL MG2 4.000 . 5.000 4.716 2.243 5.169 0.169 12 0 "[ . 1 . 2 .]" 1
518 3 93 TYR QE 3 95 PHE QE 4.000 . 6.000 6.163 6.036 6.311 0.311 9 0 "[ . 1 . 2 .]" 1
519 3 1 VAL HA 3 29 LYS QB 4.000 . 5.000 4.901 4.362 5.155 0.155 23 0 "[ . 1 . 2 .]" 1
520 3 1 VAL MG2 3 29 LYS QB 4.000 . 5.500 4.580 2.838 5.691 0.191 18 0 "[ . 1 . 2 .]" 1
521 3 1 VAL MG2 3 35 ILE MG 4.000 . 7.000 6.932 6.478 7.129 0.129 17 0 "[ . 1 . 2 .]" 1
522 3 2 ILE MD 3 25 LEU MD2 4.000 . 5.000 4.590 2.290 5.349 0.349 3 0 "[ . 1 . 2 .]" 1
523 3 3 PRO HA 3 29 LYS QB 4.000 . 6.000 5.600 3.629 6.071 0.071 2 0 "[ . 1 . 2 .]" 1
524 3 3 PRO QB 3 29 LYS QG 4.000 . 5.000 4.685 2.951 5.146 0.146 17 0 "[ . 1 . 2 .]" 1
525 3 4 ALA MB 3 25 LEU MD2 4.000 . 5.000 4.025 1.835 5.207 0.207 3 0 "[ . 1 . 2 .]" 1
526 3 7 LEU QD 3 25 LEU MD1 4.000 . 5.000 4.554 1.992 5.251 0.251 1 0 "[ . 1 . 2 .]" 1
527 3 7 LEU QD 3 29 LYS QB 4.000 . 5.000 4.567 2.328 5.257 0.257 18 0 "[ . 1 . 2 .]" 1
528 3 8 ALA MB 3 16 ILE MD 4.000 . 5.000 3.890 2.511 5.224 0.224 18 0 "[ . 1 . 2 .]" 1
529 3 8 ALA MB 3 16 ILE MG 4.000 . 5.500 5.133 3.821 5.663 0.163 23 0 "[ . 1 . 2 .]" 1
530 3 10 TYR QD 3 21 PHE HA 4.000 . 6.000 5.604 5.063 6.089 0.089 6 0 "[ . 1 . 2 .]" 1
531 3 10 TYR QD 3 21 PHE QD 4.000 . 5.000 4.816 4.141 5.207 0.207 9 0 "[ . 1 . 2 .]" 1
532 3 17 GLN QE 3 19 TRP HE1 4.000 . 5.000 3.561 1.928 4.148 . 0 0 "[ . 1 . 2 .]" 1
533 3 18 LEU HG 3 56 TRP HE1 4.000 . 6.500 5.312 4.715 6.706 0.206 17 0 "[ . 1 . 2 .]" 1
534 3 18 LEU HG 3 56 TRP HZ2 4.000 . 5.000 3.008 2.336 4.386 . 0 0 "[ . 1 . 2 .]" 1
535 3 18 LEU HG 3 56 TRP HH2 4.000 . 6.000 3.371 2.298 5.116 . 0 0 "[ . 1 . 2 .]" 1
536 3 18 LEU HG 3 70 LEU QD 4.000 . 5.000 5.141 4.981 5.399 0.399 17 0 "[ . 1 . 2 .]" 1
537 3 18 LEU HG 3 74 LEU QD 4.000 . 5.000 4.674 3.949 5.105 0.105 12 0 "[ . 1 . 2 .]" 1
538 3 18 LEU HG 3 77 TYR QE 4.000 . 5.000 4.138 2.293 4.982 . 0 0 "[ . 1 . 2 .]" 1
539 3 18 LEU QD 3 56 TRP HE1 4.000 . 5.500 3.630 2.749 5.081 . 0 0 "[ . 1 . 2 .]" 1
540 3 18 LEU QD 3 56 TRP HZ2 4.000 . 5.000 2.172 1.868 3.190 . 0 0 "[ . 1 . 2 .]" 1
541 3 18 LEU QD 3 56 TRP HH2 4.000 . 5.000 2.370 2.019 2.758 . 0 0 "[ . 1 . 2 .]" 1
542 3 18 LEU QD 3 56 TRP HZ3 4.000 . 5.000 4.126 3.431 4.488 . 0 0 "[ . 1 . 2 .]" 1
543 3 18 LEU QD 3 70 LEU QD 4.000 . 5.000 3.598 2.839 3.908 . 0 0 "[ . 1 . 2 .]" 1
544 3 18 LEU QD 3 74 LEU QD 3.000 . 3.800 2.822 2.447 3.454 . 0 0 "[ . 1 . 2 .]" 1
545 3 18 LEU QD 3 74 LEU HG 4.000 . 5.000 4.317 2.802 5.163 0.163 19 0 "[ . 1 . 2 .]" 1
546 3 18 LEU QD 3 77 TYR QD 4.000 . 5.000 3.151 2.364 4.078 . 0 0 "[ . 1 . 2 .]" 1
547 3 18 LEU QD 3 77 TYR QE 3.000 . 3.800 2.717 2.089 3.591 . 0 0 "[ . 1 . 2 .]" 1
548 3 18 LEU QD 3 83 ILE MG 3.000 . 3.800 3.634 3.045 3.880 0.080 1 0 "[ . 1 . 2 .]" 1
549 3 18 LEU QD 3 93 TYR QE 4.000 . 6.500 6.313 5.438 6.656 0.156 22 0 "[ . 1 . 2 .]" 1
550 3 19 TRP QB 3 77 TYR QE 3.000 . 3.300 2.718 2.329 3.411 0.111 21 0 "[ . 1 . 2 .]" 1
551 3 19 TRP QB 3 82 ILE MG 3.000 . 3.800 2.796 2.142 3.359 . 0 0 "[ . 1 . 2 .]" 1
552 3 19 TRP QB 3 83 ILE MG 4.000 . 5.000 3.429 3.077 3.702 . 0 0 "[ . 1 . 2 .]" 1
553 3 19 TRP H 3 77 TYR QE 4.000 . 5.000 3.777 3.324 4.326 . 0 0 "[ . 1 . 2 .]" 1
554 3 19 TRP HD1 3 77 TYR QE 4.000 . 5.000 2.817 2.427 3.319 . 0 0 "[ . 1 . 2 .]" 1
555 3 19 TRP HD1 3 82 ILE HB 4.000 . 6.000 4.827 4.396 5.322 . 0 0 "[ . 1 . 2 .]" 1
556 3 19 TRP HD1 3 82 ILE MG 4.000 . 5.000 3.502 2.474 3.998 . 0 0 "[ . 1 . 2 .]" 1
557 3 19 TRP HE1 3 82 ILE MG 4.000 . 5.000 4.646 3.886 5.125 0.125 2 0 "[ . 1 . 2 .]" 1
558 3 19 TRP HE1 3 82 ILE MD 4.000 . 5.000 5.069 4.757 5.332 0.332 6 0 "[ . 1 . 2 .]" 1
559 3 19 TRP HE1 3 77 TYR QE 4.000 . 5.000 4.834 4.361 5.101 0.101 22 0 "[ . 1 . 2 .]" 1
560 3 19 TRP HE1 3 82 ILE HB 4.000 . 6.000 5.043 4.716 5.297 . 0 0 "[ . 1 . 2 .]" 1
561 3 19 TRP HZ3 3 23 LEU QD 4.000 . 5.000 2.466 2.017 3.481 . 0 0 "[ . 1 . 2 .]" 1
562 3 19 TRP HE3 3 83 ILE MG 4.000 . 6.000 6.158 6.046 6.403 0.403 20 0 "[ . 1 . 2 .]" 1
563 3 19 TRP HZ3 3 22 LEU MD1 4.000 . 5.000 3.666 3.020 4.279 . 0 0 "[ . 1 . 2 .]" 1
564 3 21 PHE QD 3 56 TRP HH2 4.000 . 5.000 3.420 3.022 3.901 . 0 0 "[ . 1 . 2 .]" 1
565 3 19 TRP HA 3 21 PHE QD 4.000 . 5.000 5.109 4.931 5.219 0.219 9 0 "[ . 1 . 2 .]" 1
566 3 21 PHE QD 3 52 VAL MG1 4.000 . 6.000 5.591 5.050 6.091 0.091 9 0 "[ . 1 . 2 .]" 1
567 3 21 PHE QE 3 56 TRP HE3 4.000 . 5.000 2.772 2.377 3.375 . 0 0 "[ . 1 . 2 .]" 1
568 3 21 PHE HZ 3 52 VAL MG2 4.000 . 5.500 5.438 5.019 5.649 0.149 9 0 "[ . 1 . 2 .]" 1
569 3 21 PHE HZ 3 56 TRP QB 4.000 . 6.000 5.721 5.070 6.158 0.158 7 0 "[ . 1 . 2 .]" 1
570 3 21 PHE HZ 3 56 TRP HZ3 4.000 . 5.000 4.866 4.338 5.087 0.087 18 0 "[ . 1 . 2 .]" 1
571 3 22 LEU QB 3 56 TRP HE3 4.000 . 6.000 5.307 4.638 6.170 0.170 3 0 "[ . 1 . 2 .]" 1
572 3 22 LEU HG 3 56 TRP HZ3 4.000 . 6.000 4.294 2.287 5.254 . 0 0 "[ . 1 . 2 .]" 1
573 3 22 LEU HG 3 74 LEU QD 4.000 . 5.000 4.927 3.162 5.356 0.356 10 0 "[ . 1 . 2 .]" 1
574 3 22 LEU HG 3 95 PHE QE 4.000 . 5.000 3.799 2.827 5.096 0.096 1 0 "[ . 1 . 2 .]" 1
575 3 22 LEU QD 3 44 PHE QE 4.000 . 5.500 3.810 3.079 4.552 . 0 0 "[ . 1 . 2 .]" 1
576 3 22 LEU QD 3 52 VAL MG1 4.000 . 5.500 3.412 2.847 4.148 . 0 0 "[ . 1 . 2 .]" 1
577 3 22 LEU QD 3 56 TRP HE1 4.000 . 6.000 6.023 5.701 6.165 0.165 9 0 "[ . 1 . 2 .]" 1
578 3 22 LEU QD 3 56 TRP HE3 4.000 . 5.000 3.874 3.140 4.860 . 0 0 "[ . 1 . 2 .]" 1
579 3 22 LEU QD 3 56 TRP HZ3 4.000 . 5.000 2.332 2.041 3.241 . 0 0 "[ . 1 . 2 .]" 1
580 3 22 LEU QD 3 56 TRP HZ2 4.000 . 5.000 4.279 3.824 4.762 . 0 0 "[ . 1 . 2 .]" 1
581 3 22 LEU QD 3 56 TRP HH2 4.000 . 5.000 2.665 2.265 3.403 . 0 0 "[ . 1 . 2 .]" 1
582 3 22 LEU QD 3 70 LEU QD 4.000 . 5.000 3.370 2.922 3.694 . 0 0 "[ . 1 . 2 .]" 1
583 3 22 LEU QD 3 74 LEU MD2 4.000 . 5.000 3.474 2.667 4.956 . 0 0 "[ . 1 . 2 .]" 1
584 3 22 LEU QD 3 83 ILE QG 4.000 . 5.500 3.940 2.705 4.961 . 0 0 "[ . 1 . 2 .]" 1
585 3 22 LEU QD 3 95 PHE QE 4.000 . 5.000 2.676 2.110 3.256 . 0 0 "[ . 1 . 2 .]" 1
586 3 23 LEU QB 3 82 ILE QG 4.000 . 6.000 4.980 4.035 5.738 . 0 0 "[ . 1 . 2 .]" 1
587 3 23 LEU QD 3 37 TRP HZ2 4.000 . 5.500 4.621 4.094 5.398 . 0 0 "[ . 1 . 2 .]" 1
588 3 23 LEU QD 3 42 TRP HH2 4.000 . 6.500 3.121 2.580 3.502 . 0 0 "[ . 1 . 2 .]" 1
589 3 23 LEU QD 3 42 TRP HE3 4.000 . 6.000 5.967 5.518 6.175 0.175 12 0 "[ . 1 . 2 .]" 1
590 3 23 LEU QD 3 42 TRP HZ3 4.000 . 5.000 4.959 4.459 5.146 0.146 20 0 "[ . 1 . 2 .]" 1
591 3 25 LEU QD 3 44 PHE HZ 4.000 . 5.000 4.608 4.087 5.003 0.003 17 0 "[ . 1 . 2 .]" 1
592 3 25 LEU QD 3 44 PHE QE 4.000 . 5.000 4.961 4.440 5.294 0.294 3 0 "[ . 1 . 2 .]" 1
593 3 25 LEU QD 3 52 VAL HA 4.000 . 5.000 4.110 3.390 4.789 . 0 0 "[ . 1 . 2 .]" 1
594 3 25 LEU QD 3 52 VAL MG1 4.000 . 5.000 3.163 2.266 3.825 . 0 0 "[ . 1 . 2 .]" 1
595 3 25 LEU QD 3 52 VAL MG2 4.000 . 5.000 2.607 2.111 3.435 . 0 0 "[ . 1 . 2 .]" 1
596 3 25 LEU QD 3 52 VAL HB 4.000 . 5.500 4.938 4.131 5.550 0.050 11 0 "[ . 1 . 2 .]" 1
597 3 25 LEU QD 3 56 TRP HZ3 4.000 . 5.500 4.690 3.685 5.326 . 0 0 "[ . 1 . 2 .]" 1
598 3 26 LEU HA 3 37 TRP HE1 4.000 . 5.000 3.508 1.948 4.466 . 0 0 "[ . 1 . 2 .]" 1
599 3 26 LEU QB 3 37 TRP HZ2 4.000 . 5.000 3.640 2.195 4.652 . 0 0 "[ . 1 . 2 .]" 1
600 3 26 LEU HG 3 37 TRP HZ2 4.000 . 5.000 3.668 2.264 5.034 0.034 2 0 "[ . 1 . 2 .]" 1
601 3 26 LEU H 3 37 TRP HE1 4.000 . 6.000 5.564 4.319 6.078 0.078 21 0 "[ . 1 . 2 .]" 1
602 3 26 LEU QD 3 35 ILE MD 3.000 . 4.300 4.177 3.891 4.441 0.141 14 0 "[ . 1 . 2 .]" 1
603 3 26 LEU QD 3 35 ILE MG 4.000 . 5.500 4.677 3.981 5.562 0.062 16 0 "[ . 1 . 2 .]" 1
604 3 26 LEU QD 3 37 TRP HA 4.000 . 5.000 4.905 4.542 5.136 0.136 18 0 "[ . 1 . 2 .]" 1
605 3 26 LEU QD 3 37 TRP QB 4.000 . 5.500 4.989 4.206 5.538 0.038 18 0 "[ . 1 . 2 .]" 1
606 3 26 LEU QD 3 37 TRP HD1 4.000 . 5.500 4.276 3.464 5.221 . 0 0 "[ . 1 . 2 .]" 1
607 3 26 LEU QD 3 37 TRP HE1 4.000 . 5.000 2.855 1.892 4.030 . 0 0 "[ . 1 . 2 .]" 1
608 3 26 LEU QD 3 37 TRP HZ2 4.000 . 5.000 2.230 2.008 2.915 . 0 0 "[ . 1 . 2 .]" 1
609 3 26 LEU QD 3 37 TRP HE3 4.000 . 5.000 4.895 4.155 5.111 0.111 18 0 "[ . 1 . 2 .]" 1
610 3 26 LEU QD 3 37 TRP HH2 3.000 . 4.300 3.246 2.851 3.609 . 0 0 "[ . 1 . 2 .]" 1
611 3 26 LEU QD 3 42 TRP HD1 4.000 . 5.000 4.641 3.230 5.245 0.245 9 0 "[ . 1 . 2 .]" 1
612 3 26 LEU QD 3 42 TRP HE3 4.000 . 5.500 5.522 5.271 5.697 0.197 3 0 "[ . 1 . 2 .]" 1
613 3 26 LEU QD 3 42 TRP HZ3 4.000 . 5.500 5.167 4.665 5.545 0.045 10 0 "[ . 1 . 2 .]" 1
614 3 26 LEU QD 3 44 PHE HA 4.000 . 5.000 4.154 3.797 4.482 . 0 0 "[ . 1 . 2 .]" 1
615 3 26 LEU QD 3 44 PHE QD 3.000 . 3.800 2.527 2.195 2.705 . 0 0 "[ . 1 . 2 .]" 1
616 3 26 LEU QD 3 44 PHE QE 4.000 . 5.000 2.687 2.260 2.935 . 0 0 "[ . 1 . 2 .]" 1
617 3 26 LEU QD 3 44 PHE HZ 4.000 . 5.000 3.243 2.747 3.899 . 0 0 "[ . 1 . 2 .]" 1
618 3 26 LEU QD 3 45 LYS HA 4.000 . 6.500 6.248 5.764 6.603 0.103 20 0 "[ . 1 . 2 .]" 1
619 3 26 LEU QD 3 45 LYS H 4.000 . 5.500 5.199 4.904 5.526 0.026 20 0 "[ . 1 . 2 .]" 1
620 3 26 LEU QD 3 46 LEU QD 4.000 . 5.000 3.970 3.459 4.566 . 0 0 "[ . 1 . 2 .]" 1
621 3 26 LEU QD 3 82 ILE MD 4.000 . 5.500 5.432 5.121 5.743 0.243 10 0 "[ . 1 . 2 .]" 1
622 3 26 LEU QD 3 95 PHE QB 4.000 . 5.000 3.755 3.236 4.818 . 0 0 "[ . 1 . 2 .]" 1
623 3 27 THR MG 3 37 TRP HH2 4.000 . 5.000 4.712 3.059 5.173 0.173 1 0 "[ . 1 . 2 .]" 1
624 3 27 THR MG 3 37 TRP HE1 3.000 . 4.000 3.555 1.958 4.364 0.364 13 0 "[ . 1 . 2 .]" 1
625 3 29 LYS QE 3 37 TRP HD1 4.000 . 6.000 5.872 4.440 6.254 0.254 18 0 "[ . 1 . 2 .]" 1
626 3 31 CYS HA 3 37 TRP HD1 4.000 . 6.000 5.270 3.726 6.140 0.140 18 0 "[ . 1 . 2 .]" 1
627 3 31 CYS QB 3 44 PHE QE 4.000 . 5.000 3.767 3.173 4.965 . 0 0 "[ . 1 . 2 .]" 1
628 3 34 PHE HA 3 48 ASP QB 4.000 . 5.000 4.027 2.295 5.067 0.067 17 0 "[ . 1 . 2 .]" 1
629 3 34 PHE QD 3 49 PRO HA 4.000 . 6.000 5.997 5.322 6.181 0.181 16 0 "[ . 1 . 2 .]" 1
630 3 35 ILE HA 3 46 LEU HA 4.000 . 5.000 4.277 3.397 4.598 . 0 0 "[ . 1 . 2 .]" 1
631 3 35 ILE HA 3 47 SER H 4.000 . 5.000 2.886 2.322 3.317 . 0 0 "[ . 1 . 2 .]" 1
632 3 35 ILE HB 3 52 VAL MG2 4.000 . 5.000 4.165 3.685 4.646 . 0 0 "[ . 1 . 2 .]" 1
633 3 35 ILE MG 3 46 LEU QB 4.000 . 6.000 5.724 5.076 6.097 0.097 3 0 "[ . 1 . 2 .]" 1
634 3 35 ILE MD 3 46 LEU MD2 4.000 . 5.000 3.211 1.856 3.758 . 0 0 "[ . 1 . 2 .]" 1
635 3 35 ILE MG 3 49 PRO QD 4.000 . 6.000 6.017 5.576 6.236 0.236 16 0 "[ . 1 . 2 .]" 1
636 3 35 ILE MG 3 52 VAL MG2 4.000 . 5.000 4.214 3.103 4.843 . 0 0 "[ . 1 . 2 .]" 1
637 3 35 ILE MD 3 52 VAL HB 4.000 . 5.000 4.575 3.728 5.149 0.149 21 0 "[ . 1 . 2 .]" 1
638 3 35 ILE MD 3 46 LEU QD 4.000 . 5.000 2.347 1.850 2.959 . 0 0 "[ . 1 . 2 .]" 1
639 3 36 SER H 3 45 LYS H 4.000 . 5.000 4.279 3.674 4.558 . 0 0 "[ . 1 . 2 .]" 1
640 3 36 SER H 3 45 LYS QB 4.000 . 6.000 4.464 3.619 5.617 . 0 0 "[ . 1 . 2 .]" 1
641 3 36 SER H 3 45 LYS QD 4.000 . 6.000 5.566 4.203 6.113 0.113 18 0 "[ . 1 . 2 .]" 1
642 3 36 SER H 3 46 LEU HA 4.000 . 5.000 3.747 3.201 4.305 . 0 0 "[ . 1 . 2 .]" 1
643 3 37 TRP HA 3 44 PHE HA 3.000 . 3.300 3.266 3.160 3.433 0.133 10 0 "[ . 1 . 2 .]" 1
644 3 37 TRP HA 3 44 PHE H 4.000 . 6.000 6.100 5.968 6.248 0.248 14 0 "[ . 1 . 2 .]" 1
645 3 37 TRP HA 3 44 PHE QB 4.000 . 5.000 4.742 4.392 5.007 0.007 2 0 "[ . 1 . 2 .]" 1
646 3 37 TRP HA 3 45 LYS H 4.000 . 5.000 3.697 3.386 4.257 . 0 0 "[ . 1 . 2 .]" 1
647 3 37 TRP HA 3 44 PHE QD 4.000 . 5.000 2.863 2.389 3.429 . 0 0 "[ . 1 . 2 .]" 1
648 3 37 TRP HA 3 44 PHE QE 4.000 . 5.000 3.612 3.145 4.167 . 0 0 "[ . 1 . 2 .]" 1
649 3 37 TRP QB 3 44 PHE QB 4.000 . 6.000 5.976 5.710 6.099 0.099 20 0 "[ . 1 . 2 .]" 1
650 3 37 TRP HE1 3 44 PHE QD 4.000 . 5.000 4.116 3.753 4.641 . 0 0 "[ . 1 . 2 .]" 1
651 3 37 TRP HE3 3 44 PHE QE 4.000 . 5.000 5.056 4.690 5.235 0.235 10 0 "[ . 1 . 2 .]" 1
652 3 37 TRP HZ2 3 44 PHE QD 4.000 . 5.000 4.192 3.918 4.667 . 0 0 "[ . 1 . 2 .]" 1
653 3 37 TRP HZ2 3 44 PHE QE 4.000 . 5.000 5.090 4.999 5.205 0.205 2 0 "[ . 1 . 2 .]" 1
654 3 38 THR H 3 44 PHE HA 4.000 . 5.000 3.540 3.104 4.340 . 0 0 "[ . 1 . 2 .]" 1
655 3 38 THR MG 3 44 PHE HA 4.000 . 5.000 3.988 3.296 5.127 0.127 3 0 "[ . 1 . 2 .]" 1
656 3 38 THR MG 3 44 PHE H 4.000 . 5.000 4.731 4.388 5.127 0.127 3 0 "[ . 1 . 2 .]" 1
657 3 38 THR MG 3 45 LYS QB 4.000 . 6.500 4.869 2.992 6.413 . 0 0 "[ . 1 . 2 .]" 1
658 3 42 TRP HD1 3 94 ARG HA 4.000 . 5.000 3.729 2.914 4.540 . 0 0 "[ . 1 . 2 .]" 1
659 3 42 TRP HD1 3 95 PHE QB 4.000 . 5.000 3.759 2.593 4.963 . 0 0 "[ . 1 . 2 .]" 1
660 3 42 TRP HE1 3 95 PHE QB 4.000 . 5.000 2.177 1.726 3.931 0.074 20 0 "[ . 1 . 2 .]" 1
661 3 44 PHE H 3 92 VAL HA 4.000 . 6.000 5.771 5.048 6.089 0.089 23 0 "[ . 1 . 2 .]" 1
662 3 44 PHE H 3 93 TYR H 4.000 . 5.000 4.484 3.792 4.895 . 0 0 "[ . 1 . 2 .]" 1
663 3 44 PHE H 3 94 ARG HA 3.000 . 3.500 3.356 3.145 3.511 0.011 17 0 "[ . 1 . 2 .]" 1
664 3 44 PHE H 3 94 ARG QB 4.000 . 5.000 4.176 3.140 4.999 . 0 0 "[ . 1 . 2 .]" 1
665 3 44 PHE H 3 94 ARG QD 4.000 . 5.000 4.665 2.449 5.200 0.200 14 0 "[ . 1 . 2 .]" 1
666 3 44 PHE H 3 95 PHE H 4.000 . 5.000 5.067 4.980 5.189 0.189 12 0 "[ . 1 . 2 .]" 1
667 3 44 PHE QE 3 93 TYR QD 4.000 . 5.000 5.053 4.632 5.231 0.231 14 0 "[ . 1 . 2 .]" 1
668 3 45 LYS HA 3 92 VAL HA 2.500 . 2.700 2.608 2.265 2.779 0.079 6 0 "[ . 1 . 2 .]" 1
669 3 45 LYS HA 3 92 VAL MG1 4.000 . 5.000 3.411 2.361 4.274 . 0 0 "[ . 1 . 2 .]" 1
670 3 45 LYS HA 3 92 VAL MG2 4.000 . 5.500 5.008 3.085 5.480 . 0 0 "[ . 1 . 2 .]" 1
671 3 45 LYS HA 3 93 TYR H 3.000 . 3.500 2.821 2.191 3.404 . 0 0 "[ . 1 . 2 .]" 1
672 3 45 LYS QB 3 92 VAL MG1 4.000 . 5.000 3.029 2.202 4.023 . 0 0 "[ . 1 . 2 .]" 1
673 3 46 LEU HG 3 52 VAL HB 4.000 . 6.000 5.841 5.388 6.216 0.216 18 0 "[ . 1 . 2 .]" 1
674 3 46 LEU HG 3 52 VAL MG2 4.000 . 5.500 5.114 4.455 5.581 0.081 2 0 "[ . 1 . 2 .]" 1
675 3 46 LEU QD 3 52 VAL MG1 4.000 . 5.000 3.735 2.236 4.475 . 0 0 "[ . 1 . 2 .]" 1
676 3 46 LEU QD 3 52 VAL MG2 4.000 . 5.000 4.300 2.855 4.956 . 0 0 "[ . 1 . 2 .]" 1
677 3 46 LEU QD 3 67 TYR QE 3.000 . 3.800 2.426 2.069 3.142 . 0 0 "[ . 1 . 2 .]" 1
678 3 46 LEU QD 3 67 TYR QD 4.000 . 5.000 4.058 3.342 4.522 . 0 0 "[ . 1 . 2 .]" 1
679 3 46 LEU QD 3 74 LEU QD 4.000 . 5.000 4.436 3.931 4.939 . 0 0 "[ . 1 . 2 .]" 1
680 3 46 LEU QD 3 93 TYR QD 4.000 . 5.000 2.175 1.843 2.924 . 0 0 "[ . 1 . 2 .]" 1
681 3 46 LEU QD 3 93 TYR QE 4.000 . 5.000 2.599 2.148 3.110 . 0 0 "[ . 1 . 2 .]" 1
682 3 49 PRO QD 3 67 TYR QE 4.000 . 5.000 4.648 4.036 5.116 0.116 19 0 "[ . 1 . 2 .]" 1
683 3 49 PRO QD 3 67 TYR QD 4.000 . 6.000 4.594 4.080 5.479 . 0 0 "[ . 1 . 2 .]" 1
684 3 49 PRO QD 3 91 TYR QE 4.000 . 6.000 5.502 4.698 6.114 0.114 11 0 "[ . 1 . 2 .]" 1
685 3 49 PRO QB 3 67 TYR QE 3.000 . 3.300 3.347 3.211 3.464 0.164 12 0 "[ . 1 . 2 .]" 1
686 3 49 PRO QB 3 67 TYR QD 4.000 . 5.000 3.272 2.583 4.066 . 0 0 "[ . 1 . 2 .]" 1
687 3 49 PRO QG 3 67 TYR QE 3.000 . 3.300 2.835 2.238 3.235 . 0 0 "[ . 1 . 2 .]" 1
688 3 49 PRO QG 3 67 TYR QD 4.000 . 5.000 2.905 2.238 3.865 . 0 0 "[ . 1 . 2 .]" 1
689 3 34 PHE QD 3 52 VAL MG2 4.000 . 5.000 5.011 4.670 5.192 0.192 18 0 "[ . 1 . 2 .]" 1
690 3 53 ALA HA 3 70 LEU QD 4.000 . 6.500 3.275 2.290 3.883 . 0 0 "[ . 1 . 2 .]" 1
691 3 53 ALA MB 3 70 LEU QD 3.000 . 3.800 3.558 2.577 3.924 0.124 19 0 "[ . 1 . 2 .]" 1
692 3 53 ALA MB 3 67 TYR QD 4.000 . 5.000 2.949 2.246 3.913 . 0 0 "[ . 1 . 2 .]" 1
693 3 56 TRP HD1 3 70 LEU QB 4.000 . 6.000 5.969 5.759 6.146 0.146 7 0 "[ . 1 . 2 .]" 1
694 3 56 TRP HD1 3 70 LEU HG 4.000 . 5.000 4.253 3.854 5.103 0.103 20 0 "[ . 1 . 2 .]" 1
695 3 56 TRP HD1 3 70 LEU QD 4.000 . 5.000 3.481 2.573 4.015 . 0 0 "[ . 1 . 2 .]" 1
696 3 56 TRP HE1 3 69 LYS QB 4.000 . 6.000 5.652 4.727 6.130 0.130 13 0 "[ . 1 . 2 .]" 1
697 3 56 TRP HE1 3 70 LEU HA 4.000 . 5.000 4.746 4.241 5.083 0.083 19 0 "[ . 1 . 2 .]" 1
698 3 56 TRP HE1 3 70 LEU QB 4.000 . 6.000 5.789 5.448 6.078 0.078 23 0 "[ . 1 . 2 .]" 1
699 3 56 TRP HE1 3 70 LEU QD 4.000 . 5.000 3.034 2.423 3.508 . 0 0 "[ . 1 . 2 .]" 1
700 3 56 TRP HE1 3 74 LEU QD 4.000 . 6.000 5.606 4.504 6.134 0.134 17 0 "[ . 1 . 2 .]" 1
701 3 56 TRP HE1 3 70 LEU HG 4.000 . 5.000 4.421 3.556 5.231 0.231 8 0 "[ . 1 . 2 .]" 1
702 3 56 TRP HZ2 3 74 LEU QD 4.000 . 5.000 4.211 2.677 4.975 . 0 0 "[ . 1 . 2 .]" 1
703 3 56 TRP HE3 3 70 LEU QD 4.000 . 5.000 3.557 3.050 4.180 . 0 0 "[ . 1 . 2 .]" 1
704 3 56 TRP HZ2 3 70 LEU QD 4.000 . 5.000 3.131 2.321 3.634 . 0 0 "[ . 1 . 2 .]" 1
705 3 56 TRP HH2 3 70 LEU QD 4.000 . 5.000 3.801 3.308 4.297 . 0 0 "[ . 1 . 2 .]" 1
706 3 67 TYR QD 3 93 TYR QE 4.000 . 5.000 5.158 4.876 5.476 0.476 15 0 "[ . 1 . 2 .]" 1
707 3 67 TYR QE 3 74 LEU QD 4.000 . 5.500 5.369 4.562 5.714 0.214 1 0 "[ . 1 . 2 .]" 1
708 3 67 TYR QE 3 91 TYR QE 4.000 . 5.000 4.327 3.246 5.035 0.035 3 0 "[ . 1 . 2 .]" 1
709 3 67 TYR QE 3 93 TYR QE 4.000 . 5.000 3.177 2.965 3.715 . 0 0 "[ . 1 . 2 .]" 1
710 3 70 LEU QD 3 93 TYR QB 4.000 . 6.000 6.096 5.680 6.353 0.353 8 0 "[ . 1 . 2 .]" 1
711 3 70 LEU QD 3 83 ILE MD 4.000 . 5.000 4.962 4.482 5.289 0.289 14 0 "[ . 1 . 2 .]" 1
712 3 74 LEU HA 3 83 ILE MG 4.000 . 6.000 4.530 3.942 5.225 . 0 0 "[ . 1 . 2 .]" 1
713 3 74 LEU QD 3 82 ILE MD 4.000 . 5.500 5.566 5.126 5.871 0.371 17 0 "[ . 1 . 2 .]" 1
714 3 74 LEU QD 3 83 ILE HB 4.000 . 5.000 3.970 3.604 4.394 . 0 0 "[ . 1 . 2 .]" 1
715 3 74 LEU QD 3 83 ILE QG 4.000 . 5.000 2.854 2.252 3.300 . 0 0 "[ . 1 . 2 .]" 1
716 3 74 LEU QD 3 83 ILE MG 4.000 . 5.000 2.066 1.833 2.522 . 0 0 "[ . 1 . 2 .]" 1
717 3 74 LEU QD 3 85 LYS H 4.000 . 5.500 4.704 3.416 5.561 0.061 22 0 "[ . 1 . 2 .]" 1
718 3 74 LEU QD 3 85 LYS QB 4.000 . 5.000 4.101 2.745 5.065 0.065 7 0 "[ . 1 . 2 .]" 1
719 3 74 LEU QD 3 93 TYR QB 4.000 . 5.000 4.362 3.669 5.095 0.095 18 0 "[ . 1 . 2 .]" 1
720 3 74 LEU QD 3 93 TYR QE 4.000 . 5.000 2.427 1.877 3.222 . 0 0 "[ . 1 . 2 .]" 1
721 3 74 LEU QD 3 93 TYR QD 4.000 . 5.000 3.088 2.581 3.806 . 0 0 "[ . 1 . 2 .]" 1
722 3 77 TYR HA 3 83 ILE MG 4.000 . 5.500 5.361 4.984 5.620 0.120 15 0 "[ . 1 . 2 .]" 1
723 3 77 TYR QD 3 83 ILE HB 4.000 . 5.000 4.853 4.380 5.091 0.091 7 0 "[ . 1 . 2 .]" 1
724 3 78 TYR QB 3 84 HIS HD2 4.000 . 6.000 6.105 5.985 6.220 0.220 18 0 "[ . 1 . 2 .]" 1
725 3 78 TYR QD 3 84 HIS QB 4.000 . 5.000 4.647 3.383 5.141 0.141 23 0 "[ . 1 . 2 .]" 1
726 3 81 ASN HA 3 96 VAL MG1 4.000 . 5.000 4.235 3.236 5.068 0.068 8 0 "[ . 1 . 2 .]" 1
727 3 82 ILE MD 3 96 VAL HB 4.000 . 6.000 5.885 5.336 6.105 0.105 5 0 "[ . 1 . 2 .]" 1
728 3 82 ILE MG 3 95 PHE QB 4.000 . 6.000 5.473 4.899 5.989 . 0 0 "[ . 1 . 2 .]" 1
729 3 82 ILE MG 3 95 PHE QD 4.000 . 5.000 4.418 3.501 5.127 0.127 2 0 "[ . 1 . 2 .]" 1
730 3 83 ILE HA 3 94 ARG HA 4.000 . 6.000 5.992 5.731 6.187 0.187 11 0 "[ . 1 . 2 .]" 1
731 3 83 ILE HA 3 95 PHE HA 2.500 . 2.700 2.229 2.154 2.301 . 0 0 "[ . 1 . 2 .]" 1
732 3 83 ILE HA 3 95 PHE H 4.000 . 5.000 5.050 4.907 5.117 0.117 11 0 "[ . 1 . 2 .]" 1
733 3 83 ILE HA 3 96 VAL MG1 4.000 . 5.000 3.785 2.995 4.224 . 0 0 "[ . 1 . 2 .]" 1
734 3 83 ILE HA 3 96 VAL H 3.000 . 3.500 3.264 2.397 3.640 0.140 7 0 "[ . 1 . 2 .]" 1
735 3 83 ILE H 3 95 PHE QB 4.000 . 5.500 5.594 5.431 5.758 0.258 11 0 "[ . 1 . 2 .]" 1
736 3 83 ILE MG 3 93 TYR QE 4.000 . 5.500 4.992 4.055 5.452 . 0 0 "[ . 1 . 2 .]" 1
737 3 83 ILE MG 3 94 ARG H 4.000 . 5.500 5.567 5.316 5.715 0.215 18 0 "[ . 1 . 2 .]" 1
738 3 83 ILE MG 3 95 PHE QE 4.000 . 5.000 3.652 3.226 3.960 . 0 0 "[ . 1 . 2 .]" 1
739 3 83 ILE MG 3 96 VAL MG1 4.000 . 5.500 5.387 4.776 5.672 0.172 8 0 "[ . 1 . 2 .]" 1
740 3 83 ILE MD 3 93 TYR QD 4.000 . 5.000 2.502 2.104 3.493 . 0 0 "[ . 1 . 2 .]" 1
741 3 84 HIS HA 3 96 VAL MG1 4.000 . 5.500 5.269 4.940 5.674 0.174 13 0 "[ . 1 . 2 .]" 1
742 3 84 HIS H 3 95 PHE HA 3.000 . 3.500 2.818 2.006 3.312 . 0 0 "[ . 1 . 2 .]" 1
743 3 84 HIS H 3 94 ARG QB 4.000 . 5.000 4.109 3.546 5.053 0.053 8 0 "[ . 1 . 2 .]" 1
744 3 84 HIS H 3 94 ARG H 4.000 . 5.000 3.893 3.347 4.331 . 0 0 "[ . 1 . 2 .]" 1
745 3 84 HIS H 3 96 VAL MG1 4.000 . 5.000 3.912 3.552 4.390 . 0 0 "[ . 1 . 2 .]" 1
746 3 84 HIS H 3 96 VAL MG2 4.000 . 5.500 5.357 4.855 5.776 0.276 17 0 "[ . 1 . 2 .]" 1
747 3 84 HIS QB 3 96 VAL MG1 4.000 . 5.000 3.603 2.903 4.459 . 0 0 "[ . 1 . 2 .]" 1
748 3 84 HIS HD2 3 95 PHE HA 4.000 . 5.000 4.591 4.010 4.848 . 0 0 "[ . 1 . 2 .]" 1
749 3 84 HIS HD2 3 95 PHE QB 4.000 . 6.000 6.015 5.658 6.191 0.191 23 0 "[ . 1 . 2 .]" 1
750 3 84 HIS HD2 3 96 VAL MG1 4.000 . 5.500 2.800 2.032 3.629 . 0 0 "[ . 1 . 2 .]" 1
751 3 85 LYS HA 3 93 TYR HA 3.000 . 3.500 2.941 2.334 3.480 . 0 0 "[ . 1 . 2 .]" 1
752 3 86 THR HB 3 92 VAL H 4.000 . 5.000 4.608 3.917 5.038 0.038 16 0 "[ . 1 . 2 .]" 1
753 3 86 THR H 3 93 TYR HA 3.000 . 3.500 3.115 2.745 3.438 . 0 0 "[ . 1 . 2 .]" 1
754 3 86 THR MG 3 92 VAL H 4.000 . 5.500 5.469 4.819 5.671 0.171 8 0 "[ . 1 . 2 .]" 1
755 3 86 THR MG 3 92 VAL HB 4.000 . 5.000 3.299 2.581 4.018 . 0 0 "[ . 1 . 2 .]" 1
756 3 86 THR MG 3 94 ARG QB 4.000 . 5.000 3.926 3.265 5.062 0.062 8 0 "[ . 1 . 2 .]" 1
757 3 86 THR MG 3 94 ARG QD 4.000 . 5.000 3.632 2.545 5.064 0.064 10 0 "[ . 1 . 2 .]" 1
758 3 17 GLN QG 3 77 TYR HH 4.000 . 5.000 4.259 3.254 4.642 . 0 0 "[ . 1 . 2 .]" 1
759 3 17 GLN QE 3 77 TYR HH 4.000 . 5.000 2.125 1.650 4.709 0.150 21 0 "[ . 1 . 2 .]" 1
760 3 18 LEU H 3 77 TYR HH 4.000 . 6.000 4.317 3.763 4.938 . 0 0 "[ . 1 . 2 .]" 1
761 3 18 LEU QD 3 77 TYR HH 4.000 . 6.000 3.995 3.266 4.752 . 0 0 "[ . 1 . 2 .]" 1
762 3 18 LEU HG 3 77 TYR HH 4.000 . 6.000 5.698 3.908 6.198 0.198 9 0 "[ . 1 . 2 .]" 1
763 3 19 TRP HA 3 77 TYR HH 4.000 . 6.000 5.991 5.717 6.153 0.153 23 0 "[ . 1 . 2 .]" 1
764 3 19 TRP HD1 3 77 TYR HH 3.000 . 3.500 2.375 1.918 2.921 . 0 0 "[ . 1 . 2 .]" 1
765 3 19 TRP H 3 77 TYR HH 3.000 . 3.500 3.594 3.470 3.707 0.207 17 0 "[ . 1 . 2 .]" 1
766 3 19 TRP QB 3 77 TYR HH 4.000 . 5.000 4.134 3.357 4.599 . 0 0 "[ . 1 . 2 .]" 1
767 3 19 TRP HE1 3 77 TYR HH 4.000 . 6.000 3.994 3.504 4.626 . 0 0 "[ . 1 . 2 .]" 1
768 3 77 TYR HH 3 79 ASP QB 4.000 . 6.000 5.792 4.092 6.180 0.180 7 0 "[ . 1 . 2 .]" 1
769 3 77 TYR QE 3 77 TYR HH 2.500 . 2.700 2.530 2.198 2.641 . 0 0 "[ . 1 . 2 .]" 1
770 3 77 TYR HH 3 80 LYS H 4.000 . 6.000 5.980 5.709 6.258 0.258 9 0 "[ . 1 . 2 .]" 1
771 3 77 TYR HH 3 82 ILE MG 4.000 . 6.500 4.092 3.499 4.713 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 488
_Distance_constraint_stats_list.Viol_count 1276
_Distance_constraint_stats_list.Viol_total 1249.239
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0162
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0392
_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 1 DT 3.136 0.121 19 0 "[ . 1 . 2 .]"
1 2 DC 1.776 0.121 19 0 "[ . 1 . 2 .]"
1 3 DG 1.082 0.139 12 0 "[ . 1 . 2 .]"
1 4 DA 5.375 0.176 11 0 "[ . 1 . 2 .]"
1 5 DG 1.261 0.169 8 0 "[ . 1 . 2 .]"
1 6 DC 2.408 0.173 8 0 "[ . 1 . 2 .]"
1 7 DC 2.561 0.183 21 0 "[ . 1 . 2 .]"
1 8 DG 0.833 0.063 15 0 "[ . 1 . 2 .]"
1 9 DG 1.764 0.110 15 0 "[ . 1 . 2 .]"
1 10 DA 0.405 0.110 15 0 "[ . 1 . 2 .]"
1 11 DA 1.498 0.110 17 0 "[ . 1 . 2 .]"
1 12 DG 2.707 0.174 3 0 "[ . 1 . 2 .]"
1 13 DT 3.657 0.174 3 0 "[ . 1 . 2 .]"
1 14 DT 2.954 0.131 1 0 "[ . 1 . 2 .]"
1 15 DC 1.896 0.080 17 0 "[ . 1 . 2 .]"
1 16 DG 2.284 0.128 19 0 "[ . 1 . 2 .]"
1 17 DA 0.749 0.076 1 0 "[ . 1 . 2 .]"
2 1 DT 0.950 0.118 1 0 "[ . 1 . 2 .]"
2 2 DC 2.869 0.096 18 0 "[ . 1 . 2 .]"
2 3 DG 4.728 0.131 1 0 "[ . 1 . 2 .]"
2 4 DA 0.864 0.066 13 0 "[ . 1 . 2 .]"
2 5 DA 2.424 0.124 1 0 "[ . 1 . 2 .]"
2 6 DC 0.218 0.078 16 0 "[ . 1 . 2 .]"
2 7 DT 2.240 0.185 15 0 "[ . 1 . 2 .]"
2 8 DT 4.268 0.185 15 0 "[ . 1 . 2 .]"
2 9 DC 3.226 0.181 13 0 "[ . 1 . 2 .]"
2 10 DC 1.277 0.114 6 0 "[ . 1 . 2 .]"
2 11 DG 2.168 0.162 4 0 "[ . 1 . 2 .]"
2 12 DG 1.613 0.150 17 0 "[ . 1 . 2 .]"
2 13 DC 2.351 0.164 2 0 "[ . 1 . 2 .]"
2 14 DT 2.914 0.164 2 0 "[ . 1 . 2 .]"
2 15 DC 1.798 0.087 4 0 "[ . 1 . 2 .]"
2 16 DG 1.000 0.087 4 0 "[ . 1 . 2 .]"
2 17 DA 0.075 0.041 9 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT H2'' 1 1 DT H6 2.000 . 4.000 3.983 3.919 4.019 0.019 10 0 "[ . 1 . 2 .]" 2
2 1 1 DT H2' 1 1 DT H6 2.000 . 2.500 2.539 2.450 2.596 0.096 3 0 "[ . 1 . 2 .]" 2
3 1 1 DT H6 1 1 DT M7 2.000 . 2.500 2.328 2.299 2.375 . 0 0 "[ . 1 . 2 .]" 2
4 1 1 DT H1' 1 1 DT H6 2.000 . 4.000 3.730 3.706 3.749 . 0 0 "[ . 1 . 2 .]" 2
5 1 1 DT H1' 1 1 DT H3' 2.000 . 4.000 4.045 4.022 4.059 0.059 18 0 "[ . 1 . 2 .]" 2
6 1 1 DT H1' 1 1 DT H4' 2.000 . 4.000 3.529 3.456 3.566 . 0 0 "[ . 1 . 2 .]" 2
7 1 1 DT H3' 1 1 DT H6 3.000 . 5.000 3.271 3.145 3.495 . 0 0 "[ . 1 . 2 .]" 2
8 1 2 DC H1' 1 2 DC H4' 3.000 . 4.000 3.373 3.264 3.526 . 0 0 "[ . 1 . 2 .]" 2
9 1 2 DC H2' 1 2 DC H3' 2.000 . 2.500 2.283 2.276 2.291 . 0 0 "[ . 1 . 2 .]" 2
10 1 2 DC H2'' 1 2 DC H3' 2.000 . 3.000 2.819 2.781 2.858 . 0 0 "[ . 1 . 2 .]" 2
11 1 2 DC H1' 1 2 DC H3' 3.000 . 4.000 4.011 3.971 4.057 0.057 10 0 "[ . 1 . 2 .]" 2
12 1 2 DC H3' 1 2 DC H5 3.000 . 6.000 5.770 5.363 5.977 . 0 0 "[ . 1 . 2 .]" 2
13 1 2 DC H2'' 1 2 DC H6 3.000 . 4.000 3.838 3.803 3.865 . 0 0 "[ . 1 . 2 .]" 2
14 1 2 DC H2' 1 2 DC H6 2.000 . 2.500 2.307 2.270 2.362 . 0 0 "[ . 1 . 2 .]" 2
15 1 2 DC H2' 1 2 DC H2'' 2.000 . 2.500 1.781 1.775 1.787 0.025 1 0 "[ . 1 . 2 .]" 2
16 1 2 DC H1' 1 2 DC H2'' 2.000 . 2.500 2.269 2.249 2.284 . 0 0 "[ . 1 . 2 .]" 2
17 1 2 DC H1' 1 2 DC H2' 2.000 . 3.000 2.958 2.907 2.984 . 0 0 "[ . 1 . 2 .]" 2
18 1 2 DC H1' 1 2 DC H5 3.000 . 6.000 5.467 5.459 5.479 . 0 0 "[ . 1 . 2 .]" 2
19 1 2 DC H3' 1 2 DC H6 3.000 . 5.000 3.395 3.016 3.607 . 0 0 "[ . 1 . 2 .]" 2
20 1 2 DC H1' 1 2 DC H6 3.000 . 4.000 3.755 3.738 3.769 . 0 0 "[ . 1 . 2 .]" 2
21 1 2 DC H5 1 2 DC H6 2.000 . 2.500 2.449 2.442 2.455 . 0 0 "[ . 1 . 2 .]" 2
22 1 3 DG H1' 1 3 DG H4' 3.000 . 4.000 3.513 3.446 3.578 . 0 0 "[ . 1 . 2 .]" 2
23 1 3 DG H3' 1 3 DG H4' 2.000 . 3.000 2.867 2.852 2.879 . 0 0 "[ . 1 . 2 .]" 2
24 1 3 DG H1' 1 3 DG H2'' 2.000 . 2.500 2.270 2.259 2.284 . 0 0 "[ . 1 . 2 .]" 2
25 1 3 DG H1' 1 3 DG H2' 2.000 . 3.000 2.927 2.908 2.954 . 0 0 "[ . 1 . 2 .]" 2
26 1 3 DG H3' 1 3 DG H8 3.000 . 5.000 3.586 3.387 3.758 . 0 0 "[ . 1 . 2 .]" 2
27 1 3 DG H1' 1 3 DG H8 3.000 . 4.000 3.909 3.898 3.917 . 0 0 "[ . 1 . 2 .]" 2
28 1 4 DA H1' 1 4 DA H5'' 3.000 . 5.000 5.133 5.081 5.176 0.176 11 0 "[ . 1 . 2 .]" 2
29 1 4 DA H1' 1 4 DA H5' 3.000 . 5.000 4.634 4.513 4.802 . 0 0 "[ . 1 . 2 .]" 2
30 1 4 DA H1' 1 4 DA H2'' 2.000 . 2.500 2.273 2.256 2.291 . 0 0 "[ . 1 . 2 .]" 2
31 1 4 DA H3' 1 4 DA H4' 2.000 . 3.000 2.869 2.857 2.879 . 0 0 "[ . 1 . 2 .]" 2
32 1 4 DA H1' 1 4 DA H4' 3.000 . 4.000 3.427 3.283 3.522 . 0 0 "[ . 1 . 2 .]" 2
33 1 4 DA H2'' 1 4 DA H3' 2.000 . 3.000 2.812 2.767 2.840 . 0 0 "[ . 1 . 2 .]" 2
34 1 4 DA H2' 1 4 DA H3' 2.000 . 3.000 2.282 2.271 2.291 . 0 0 "[ . 1 . 2 .]" 2
35 1 4 DA H1' 1 4 DA H3' 3.000 2.800 4.000 4.015 3.954 4.044 0.044 11 0 "[ . 1 . 2 .]" 2
36 1 4 DA H2'' 1 4 DA H8 3.000 2.800 4.000 3.960 3.920 4.035 0.035 23 0 "[ . 1 . 2 .]" 2
37 1 4 DA H2' 1 4 DA H8 2.000 . 3.000 2.374 2.315 2.471 . 0 0 "[ . 1 . 2 .]" 2
38 1 4 DA H1' 1 4 DA H2' 3.000 . 4.000 2.944 2.915 2.983 . 0 0 "[ . 1 . 2 .]" 2
39 1 4 DA H3' 1 4 DA H8 3.000 . 5.000 3.654 3.417 3.970 . 0 0 "[ . 1 . 2 .]" 2
40 1 4 DA H1' 1 4 DA H2 3.000 . 6.000 4.469 4.416 4.531 . 0 0 "[ . 1 . 2 .]" 2
41 1 4 DA H1' 1 4 DA H8 3.000 2.800 4.000 3.908 3.898 3.918 . 0 0 "[ . 1 . 2 .]" 2
42 1 5 DG H1' 1 5 DG H2'' 2.000 . 2.500 2.281 2.266 2.299 . 0 0 "[ . 1 . 2 .]" 2
43 1 5 DG H2'' 1 5 DG H3' 2.000 . 3.000 2.790 2.753 2.837 . 0 0 "[ . 1 . 2 .]" 2
44 1 5 DG H2' 1 5 DG H8 2.000 . 3.000 2.397 2.310 2.547 . 0 0 "[ . 1 . 2 .]" 2
45 1 5 DG H2'' 1 5 DG H8 3.000 . 4.000 3.958 3.890 4.067 0.067 5 0 "[ . 1 . 2 .]" 2
46 1 5 DG H1' 1 5 DG H2' 2.000 . 3.000 2.962 2.912 2.979 . 0 0 "[ . 1 . 2 .]" 2
47 1 5 DG H1' 1 5 DG H8 3.000 2.800 4.000 3.909 3.891 3.925 . 0 0 "[ . 1 . 2 .]" 2
48 1 5 DG H3' 1 5 DG H8 3.000 2.800 5.000 3.805 3.348 4.022 . 0 0 "[ . 1 . 2 .]" 2
49 1 6 DC H1' 1 6 DC H5' 3.000 . 5.000 4.551 4.447 4.814 . 0 0 "[ . 1 . 2 .]" 2
50 1 6 DC H1' 1 6 DC H4' 3.000 . 4.000 3.417 3.073 3.637 . 0 0 "[ . 1 . 2 .]" 2
51 1 6 DC H1' 1 6 DC H3' 3.000 . 4.000 4.021 3.892 4.068 0.068 9 0 "[ . 1 . 2 .]" 2
52 1 6 DC H2' 1 6 DC H6 3.000 . 4.000 2.298 2.218 2.362 . 0 0 "[ . 1 . 2 .]" 2
53 1 6 DC H1' 1 6 DC H2'' 2.000 . 2.500 2.269 2.248 2.309 . 0 0 "[ . 1 . 2 .]" 2
54 1 6 DC H1' 1 6 DC H2' 3.000 . 4.000 2.931 2.851 3.011 . 0 0 "[ . 1 . 2 .]" 2
55 1 6 DC H3' 1 6 DC H6 3.000 . 5.000 3.217 2.603 3.901 . 0 0 "[ . 1 . 2 .]" 2
56 1 6 DC H5 1 6 DC H6 2.000 . 2.500 2.445 2.435 2.453 . 0 0 "[ . 1 . 2 .]" 2
57 1 6 DC H1' 1 6 DC H6 3.000 . 4.000 3.750 3.720 3.775 . 0 0 "[ . 1 . 2 .]" 2
58 1 7 DC H1' 1 7 DC H5'' 3.000 . 5.000 5.003 4.950 5.183 0.183 21 0 "[ . 1 . 2 .]" 2
59 1 7 DC H3' 1 7 DC H5' 3.000 . 4.000 3.578 3.520 3.625 . 0 0 "[ . 1 . 2 .]" 2
60 1 7 DC H1' 1 7 DC H4' 3.000 . 4.000 3.191 3.088 3.538 . 0 0 "[ . 1 . 2 .]" 2
61 1 7 DC H1' 1 7 DC H5' 3.000 . 5.000 4.804 4.471 4.922 . 0 0 "[ . 1 . 2 .]" 2
62 1 7 DC H2' 1 7 DC H3' 2.000 . 3.000 2.291 2.276 2.303 . 0 0 "[ . 1 . 2 .]" 2
63 1 7 DC H1' 1 7 DC H3' 3.000 . 4.000 3.949 3.917 4.042 0.042 21 0 "[ . 1 . 2 .]" 2
64 1 7 DC H2' 1 7 DC H6 2.000 . 3.000 2.544 2.321 3.174 0.174 22 0 "[ . 1 . 2 .]" 2
65 1 7 DC H1' 1 7 DC H2' 2.000 . 3.000 2.985 2.923 2.999 . 0 0 "[ . 1 . 2 .]" 2
66 1 7 DC H3' 1 7 DC H6 3.000 . 5.000 3.803 3.608 4.061 . 0 0 "[ . 1 . 2 .]" 2
67 1 7 DC H5 1 7 DC H6 2.000 . 2.500 2.452 2.440 2.468 . 0 0 "[ . 1 . 2 .]" 2
68 1 7 DC H1' 1 7 DC H6 3.000 . 4.000 3.729 3.608 3.756 . 0 0 "[ . 1 . 2 .]" 2
69 1 8 DG H1' 1 8 DG H4' 3.000 . 4.000 3.440 3.254 3.583 . 0 0 "[ . 1 . 2 .]" 2
70 1 8 DG H1' 1 8 DG H3' 3.000 . 4.000 4.021 3.954 4.063 0.063 15 0 "[ . 1 . 2 .]" 2
71 1 8 DG H2'' 1 8 DG H3' 2.000 . 3.000 2.814 2.782 2.851 . 0 0 "[ . 1 . 2 .]" 2
72 1 8 DG H1' 1 8 DG H2' 2.000 . 3.000 2.944 2.892 2.992 . 0 0 "[ . 1 . 2 .]" 2
73 1 8 DG H1' 1 8 DG H2'' 2.000 . 3.000 2.275 2.254 2.300 . 0 0 "[ . 1 . 2 .]" 2
74 1 8 DG H3' 1 8 DG H8 3.000 . 5.000 3.733 3.288 4.334 . 0 0 "[ . 1 . 2 .]" 2
75 1 8 DG H1' 1 8 DG H8 3.000 . 4.000 3.891 3.747 3.913 . 0 0 "[ . 1 . 2 .]" 2
76 1 9 DG H3' 1 9 DG H4' 2.000 . 3.000 2.868 2.849 2.881 . 0 0 "[ . 1 . 2 .]" 2
77 1 9 DG H1' 1 9 DG H4' 3.000 . 4.000 3.360 3.264 3.492 . 0 0 "[ . 1 . 2 .]" 2
78 1 9 DG H2'' 1 9 DG H3' 2.000 . 3.000 2.801 2.781 2.816 . 0 0 "[ . 1 . 2 .]" 2
79 1 9 DG H2' 1 9 DG H3' 2.000 . 3.000 2.288 2.274 2.297 . 0 0 "[ . 1 . 2 .]" 2
80 1 9 DG H1' 1 9 DG H3' 3.000 . 4.000 3.994 3.958 4.038 0.038 15 0 "[ . 1 . 2 .]" 2
81 1 9 DG H2'' 1 9 DG H8 3.000 . 4.000 3.974 3.900 4.097 0.097 22 0 "[ . 1 . 2 .]" 2
82 1 9 DG H2' 1 9 DG H8 2.000 . 3.000 2.415 2.327 2.557 . 0 0 "[ . 1 . 2 .]" 2
83 1 9 DG H2' 1 9 DG H2'' 2.000 . 2.500 1.784 1.779 1.787 0.021 19 0 "[ . 1 . 2 .]" 2
84 1 9 DG H1' 1 9 DG H2'' 2.000 . 3.000 2.282 2.270 2.292 . 0 0 "[ . 1 . 2 .]" 2
85 1 9 DG H3' 1 9 DG H8 3.000 . 5.000 3.832 3.582 3.985 . 0 0 "[ . 1 . 2 .]" 2
86 1 9 DG H1' 1 9 DG H8 3.000 . 4.000 3.910 3.900 3.922 . 0 0 "[ . 1 . 2 .]" 2
87 1 10 DA H3' 1 10 DA H4' 2.000 . 3.000 2.867 2.855 2.886 . 0 0 "[ . 1 . 2 .]" 2
88 1 10 DA H1' 1 10 DA H4' 3.000 . 4.000 3.371 3.238 3.461 . 0 0 "[ . 1 . 2 .]" 2
89 1 10 DA H2'' 1 10 DA H3' 2.000 . 3.000 2.803 2.783 2.824 . 0 0 "[ . 1 . 2 .]" 2
90 1 10 DA H2' 1 10 DA H3' 2.000 . 3.000 2.288 2.281 2.296 . 0 0 "[ . 1 . 2 .]" 2
91 1 10 DA H1' 1 10 DA H3' 3.000 . 4.000 3.999 3.960 4.029 0.029 9 0 "[ . 1 . 2 .]" 2
92 1 10 DA H2'' 1 10 DA H8 3.000 . 4.000 3.961 3.908 4.044 0.044 13 0 "[ . 1 . 2 .]" 2
93 1 10 DA H2' 1 10 DA H8 2.000 . 3.000 2.394 2.333 2.528 . 0 0 "[ . 1 . 2 .]" 2
94 1 10 DA H1' 1 10 DA H2'' 2.000 . 2.500 2.280 2.265 2.293 . 0 0 "[ . 1 . 2 .]" 2
95 1 10 DA H1' 1 10 DA H2' 2.000 . 3.000 2.964 2.939 2.985 . 0 0 "[ . 1 . 2 .]" 2
96 1 10 DA H3' 1 10 DA H8 3.000 . 5.000 3.801 3.621 4.045 . 0 0 "[ . 1 . 2 .]" 2
97 1 10 DA H1' 1 10 DA H8 3.000 . 4.000 3.911 3.894 3.920 . 0 0 "[ . 1 . 2 .]" 2
98 1 10 DA H1' 1 10 DA H2 3.000 . 6.000 4.458 4.420 4.510 . 0 0 "[ . 1 . 2 .]" 2
99 1 11 DA H3' 1 11 DA H4' 2.000 . 3.000 2.866 2.854 2.876 . 0 0 "[ . 1 . 2 .]" 2
100 1 11 DA H1' 1 11 DA H4' 3.000 . 4.000 3.406 3.309 3.551 . 0 0 "[ . 1 . 2 .]" 2
101 1 11 DA H1' 1 11 DA H3' 3.000 . 4.000 4.009 3.974 4.060 0.060 9 0 "[ . 1 . 2 .]" 2
102 1 11 DA H2'' 1 11 DA H8 3.000 . 4.000 3.939 3.900 4.037 0.037 18 0 "[ . 1 . 2 .]" 2
103 1 11 DA H2' 1 11 DA H8 2.000 . 3.000 2.359 2.317 2.471 . 0 0 "[ . 1 . 2 .]" 2
104 1 11 DA H1' 1 11 DA H2' 2.000 . 3.000 2.956 2.918 2.974 . 0 0 "[ . 1 . 2 .]" 2
105 1 11 DA H1' 1 11 DA H2'' 2.000 . 2.500 2.276 2.269 2.289 . 0 0 "[ . 1 . 2 .]" 2
106 1 11 DA H3' 1 11 DA H8 3.000 . 5.000 3.736 3.393 3.906 . 0 0 "[ . 1 . 2 .]" 2
107 1 11 DA H1' 1 11 DA H8 3.000 . 4.000 3.912 3.896 3.925 . 0 0 "[ . 1 . 2 .]" 2
108 1 11 DA H1' 1 11 DA H2 3.000 . 6.000 4.456 4.397 4.527 . 0 0 "[ . 1 . 2 .]" 2
109 1 12 DG H1' 1 12 DG H4' 3.000 . 4.000 3.355 3.257 3.430 . 0 0 "[ . 1 . 2 .]" 2
110 1 12 DG H1' 1 12 DG H3' 3.000 . 4.000 3.996 3.955 4.027 0.027 22 0 "[ . 1 . 2 .]" 2
111 1 12 DG H2'' 1 12 DG H8 3.000 . 4.000 3.937 3.884 3.997 . 0 0 "[ . 1 . 2 .]" 2
112 1 12 DG H2' 1 12 DG H8 2.000 . 3.000 2.364 2.313 2.447 . 0 0 "[ . 1 . 2 .]" 2
113 1 12 DG H1' 1 12 DG H2'' 2.000 . 2.500 2.278 2.262 2.294 . 0 0 "[ . 1 . 2 .]" 2
114 1 12 DG H1' 1 12 DG H2' 2.000 . 3.000 2.962 2.932 2.985 . 0 0 "[ . 1 . 2 .]" 2
115 1 12 DG H3' 1 12 DG H8 2.000 . 4.000 3.796 3.534 3.997 . 0 0 "[ . 1 . 2 .]" 2
116 1 12 DG H1' 1 12 DG H8 3.000 . 4.000 3.914 3.900 3.929 . 0 0 "[ . 1 . 2 .]" 2
117 1 13 DT H1' 1 13 DT H5'' 3.000 . 5.000 5.060 5.004 5.167 0.167 5 0 "[ . 1 . 2 .]" 2
118 1 13 DT H1' 1 13 DT H5' 3.000 . 5.000 4.808 4.487 4.883 . 0 0 "[ . 1 . 2 .]" 2
119 1 13 DT H1' 1 13 DT H4' 3.000 . 4.000 3.336 3.214 3.472 . 0 0 "[ . 1 . 2 .]" 2
120 1 13 DT H3' 1 13 DT H4' 2.000 . 3.000 2.886 2.872 2.901 . 0 0 "[ . 1 . 2 .]" 2
121 1 13 DT H2'' 1 13 DT H3' 2.000 . 3.000 2.814 2.796 2.857 . 0 0 "[ . 1 . 2 .]" 2
122 1 13 DT H1' 1 13 DT H3' 3.000 . 4.000 3.997 3.956 4.039 0.039 5 0 "[ . 1 . 2 .]" 2
123 1 13 DT H2'' 1 13 DT H6 3.000 . 4.000 3.873 3.831 3.936 . 0 0 "[ . 1 . 2 .]" 2
124 1 13 DT H2' 1 13 DT H6 2.000 . 3.000 2.352 2.310 2.429 . 0 0 "[ . 1 . 2 .]" 2
125 1 13 DT H6 1 13 DT M7 2.000 . 2.500 2.278 2.252 2.328 . 0 0 "[ . 1 . 2 .]" 2
126 1 13 DT H2' 1 13 DT H2'' 2.000 . 2.500 1.783 1.778 1.789 0.022 5 0 "[ . 1 . 2 .]" 2
127 1 13 DT H1' 1 13 DT H2'' 2.000 . 2.500 2.271 2.251 2.286 . 0 0 "[ . 1 . 2 .]" 2
128 1 13 DT H1' 1 13 DT H2' 2.000 . 3.000 2.960 2.912 2.984 . 0 0 "[ . 1 . 2 .]" 2
129 1 13 DT H1' 1 13 DT H6 3.000 . 4.000 3.749 3.731 3.774 . 0 0 "[ . 1 . 2 .]" 2
130 1 13 DT H3 1 13 DT M7 3.000 . 5.500 4.142 4.133 4.158 . 0 0 "[ . 1 . 2 .]" 2
131 1 14 DT H1' 1 14 DT H5' 3.000 . 5.000 4.748 4.584 4.828 . 0 0 "[ . 1 . 2 .]" 2
132 1 14 DT H1' 1 14 DT H5'' 3.000 . 5.000 5.042 5.013 5.104 0.104 6 0 "[ . 1 . 2 .]" 2
133 1 14 DT H1' 1 14 DT H4' 3.000 . 4.000 3.271 3.217 3.378 . 0 0 "[ . 1 . 2 .]" 2
134 1 14 DT H2' 1 14 DT H3' 2.000 . 2.500 2.290 2.275 2.298 . 0 0 "[ . 1 . 2 .]" 2
135 1 14 DT H2'' 1 14 DT H3' 2.000 . 3.000 2.792 2.772 2.817 . 0 0 "[ . 1 . 2 .]" 2
136 1 14 DT H1' 1 14 DT H3' 3.000 . 4.000 3.964 3.939 4.001 0.001 6 0 "[ . 1 . 2 .]" 2
137 1 14 DT H2' 1 14 DT H6 2.000 . 2.500 2.326 2.288 2.389 . 0 0 "[ . 1 . 2 .]" 2
138 1 14 DT H6 1 14 DT M7 2.000 . 2.500 2.264 2.249 2.307 . 0 0 "[ . 1 . 2 .]" 2
139 1 14 DT H2' 1 14 DT M7 3.000 . 5.000 3.955 3.902 3.987 . 0 0 "[ . 1 . 2 .]" 2
140 1 14 DT H1' 1 14 DT H2' 2.000 . 3.000 2.981 2.956 2.993 . 0 0 "[ . 1 . 2 .]" 2
141 1 14 DT H3' 1 14 DT H6 3.000 . 5.000 3.639 3.441 3.749 . 0 0 "[ . 1 . 2 .]" 2
142 1 14 DT H1' 1 14 DT H6 3.000 . 4.000 3.752 3.726 3.774 . 0 0 "[ . 1 . 2 .]" 2
143 1 14 DT H3 1 14 DT M7 3.000 . 5.500 4.141 4.126 4.156 . 0 0 "[ . 1 . 2 .]" 2
144 1 15 DC H1' 1 15 DC H4' 3.000 . 4.000 3.572 3.457 3.676 . 0 0 "[ . 1 . 2 .]" 2
145 1 15 DC H2' 1 15 DC H3' 2.000 . 3.000 2.275 2.267 2.284 . 0 0 "[ . 1 . 2 .]" 2
146 1 15 DC H2'' 1 15 DC H3' 2.000 . 3.000 2.846 2.820 2.863 . 0 0 "[ . 1 . 2 .]" 2
147 1 15 DC H1' 1 15 DC H3' 3.000 . 4.000 4.059 4.032 4.080 0.080 17 0 "[ . 1 . 2 .]" 2
148 1 15 DC H3' 1 15 DC H5 3.000 . 6.000 5.382 5.120 5.668 . 0 0 "[ . 1 . 2 .]" 2
149 1 15 DC H2'' 1 15 DC H6 3.000 . 4.000 3.853 3.791 3.905 . 0 0 "[ . 1 . 2 .]" 2
150 1 15 DC H2' 1 15 DC H6 2.000 . 3.000 2.361 2.289 2.422 . 0 0 "[ . 1 . 2 .]" 2
151 1 15 DC H2' 1 15 DC H2'' 2.000 . 3.000 1.783 1.779 1.787 0.021 3 0 "[ . 1 . 2 .]" 2
152 1 15 DC H1' 1 15 DC H2'' 2.000 . 2.500 2.263 2.251 2.273 . 0 0 "[ . 1 . 2 .]" 2
153 1 15 DC H2' 1 15 DC H5 3.000 . 5.000 4.303 4.269 4.328 . 0 0 "[ . 1 . 2 .]" 2
154 1 15 DC H3' 1 15 DC H6 3.000 . 5.000 3.032 2.782 3.316 . 0 0 "[ . 1 . 2 .]" 2
155 1 15 DC H5 1 15 DC H6 2.000 . 2.500 2.449 2.442 2.454 . 0 0 "[ . 1 . 2 .]" 2
156 1 16 DG H3' 1 16 DG H4' 2.000 . 3.000 2.857 2.843 2.868 . 0 0 "[ . 1 . 2 .]" 2
157 1 16 DG H2'' 1 16 DG H3' 2.000 . 3.000 2.803 2.786 2.820 . 0 0 "[ . 1 . 2 .]" 2
158 1 16 DG H2' 1 16 DG H3' 3.000 . 4.000 2.285 2.279 2.297 . 0 0 "[ . 1 . 2 .]" 2
159 1 16 DG H1' 1 16 DG H3' 3.000 . 4.000 4.014 3.986 4.035 0.035 17 0 "[ . 1 . 2 .]" 2
160 1 16 DG H1' 1 16 DG H2'' 2.000 . 2.500 2.276 2.264 2.285 . 0 0 "[ . 1 . 2 .]" 2
161 1 16 DG H1' 1 16 DG H2' 2.000 . 3.000 2.952 2.934 2.967 . 0 0 "[ . 1 . 2 .]" 2
162 1 16 DG H3' 1 16 DG H8 3.000 . 5.000 3.738 3.605 3.863 . 0 0 "[ . 1 . 2 .]" 2
163 1 16 DG H1' 1 16 DG H8 3.000 . 4.000 3.911 3.900 3.923 . 0 0 "[ . 1 . 2 .]" 2
164 1 17 DA H2'' 1 17 DA H8 3.000 . 4.000 3.946 3.917 3.981 . 0 0 "[ . 1 . 2 .]" 2
165 1 17 DA H2' 1 17 DA H8 2.000 . 3.000 2.356 2.322 2.392 . 0 0 "[ . 1 . 2 .]" 2
166 1 17 DA H3' 1 17 DA H8 3.000 . 5.000 3.684 3.529 3.806 . 0 0 "[ . 1 . 2 .]" 2
167 2 1 DT H2'' 2 1 DT H6 3.000 . 4.500 4.158 4.057 4.280 . 0 0 "[ . 1 . 2 .]" 2
168 2 1 DT H2' 2 1 DT H6 2.000 . 3.000 2.802 2.647 3.016 0.016 12 0 "[ . 1 . 2 .]" 2
169 2 1 DT H6 2 1 DT M7 2.000 . 2.500 2.326 2.298 2.378 . 0 0 "[ . 1 . 2 .]" 2
170 2 1 DT H1' 2 1 DT H6 3.000 . 4.000 3.710 3.673 3.733 . 0 0 "[ . 1 . 2 .]" 2
171 2 2 DC H3' 2 2 DC H6 3.000 . 5.000 3.113 2.796 3.388 . 0 0 "[ . 1 . 2 .]" 2
172 2 2 DC H1' 2 2 DC H6 3.000 . 4.000 3.742 3.725 3.757 . 0 0 "[ . 1 . 2 .]" 2
173 2 2 DC H1' 2 2 DC H3' 3.000 . 4.000 4.051 4.016 4.074 0.074 17 0 "[ . 1 . 2 .]" 2
174 2 2 DC H2' 2 2 DC H4' 3.000 . 4.000 4.030 4.007 4.049 0.049 17 0 "[ . 1 . 2 .]" 2
175 2 2 DC H2'' 2 2 DC H4' 3.000 . 4.000 3.714 3.673 3.756 . 0 0 "[ . 1 . 2 .]" 2
176 2 2 DC H2' 2 2 DC H6 2.000 . 3.000 2.348 2.290 2.408 . 0 0 "[ . 1 . 2 .]" 2
177 2 2 DC H2'' 2 2 DC H6 3.000 . 4.000 3.851 3.814 3.909 . 0 0 "[ . 1 . 2 .]" 2
178 2 3 DG H3' 2 3 DG H8 3.000 . 5.000 3.638 3.447 3.749 . 0 0 "[ . 1 . 2 .]" 2
179 2 3 DG H1' 2 3 DG H8 3.000 . 4.000 3.904 3.886 3.914 . 0 0 "[ . 1 . 2 .]" 2
180 2 3 DG H1' 2 3 DG H3' 3.000 . 4.000 4.028 4.012 4.055 0.055 9 0 "[ . 1 . 2 .]" 2
181 2 3 DG H2' 2 3 DG H4' 3.000 . 4.000 4.005 3.985 4.024 0.024 13 0 "[ . 1 . 2 .]" 2
182 2 3 DG H2'' 2 3 DG H4' 3.000 . 4.000 3.773 3.740 3.822 . 0 0 "[ . 1 . 2 .]" 2
183 2 3 DG H2' 2 3 DG H8 2.000 . 3.000 2.462 2.374 2.545 . 0 0 "[ . 1 . 2 .]" 2
184 2 3 DG H2'' 2 3 DG H8 3.000 . 4.000 4.025 3.957 4.079 0.079 1 0 "[ . 1 . 2 .]" 2
185 2 4 DA H3' 2 4 DA H8 3.000 . 5.000 3.824 3.603 4.031 . 0 0 "[ . 1 . 2 .]" 2
186 2 4 DA H1' 2 4 DA H8 3.000 . 4.000 3.910 3.894 3.922 . 0 0 "[ . 1 . 2 .]" 2
187 2 4 DA H1' 2 4 DA H3' 3.000 . 4.000 3.998 3.969 4.029 0.029 12 0 "[ . 1 . 2 .]" 2
188 2 4 DA H2' 2 4 DA H4' 3.000 . 4.000 3.983 3.963 4.008 0.008 6 0 "[ . 1 . 2 .]" 2
189 2 4 DA H2'' 2 4 DA H4' 3.000 . 4.000 3.791 3.757 3.837 . 0 0 "[ . 1 . 2 .]" 2
190 2 4 DA H2' 2 4 DA H8 2.000 . 3.000 2.459 2.348 2.550 . 0 0 "[ . 1 . 2 .]" 2
191 2 4 DA H2'' 2 4 DA H8 3.000 . 4.000 4.013 3.919 4.066 0.066 13 0 "[ . 1 . 2 .]" 2
192 2 5 DA H3' 2 5 DA H4' 2.000 . 3.000 2.866 2.854 2.880 . 0 0 "[ . 1 . 2 .]" 2
193 2 5 DA H1' 2 5 DA H4' 3.000 . 4.000 3.427 3.350 3.520 . 0 0 "[ . 1 . 2 .]" 2
194 2 5 DA H2'' 2 5 DA H3' 2.000 . 3.000 2.806 2.770 2.828 . 0 0 "[ . 1 . 2 .]" 2
195 2 5 DA H2' 2 5 DA H3' 2.000 . 3.000 2.281 2.274 2.288 . 0 0 "[ . 1 . 2 .]" 2
196 2 5 DA H1' 2 5 DA H3' 3.000 . 4.000 4.017 3.970 4.046 0.046 21 0 "[ . 1 . 2 .]" 2
197 2 5 DA H1' 2 5 DA H8 3.000 . 4.000 3.910 3.895 3.923 . 0 0 "[ . 1 . 2 .]" 2
198 2 5 DA H2' 2 5 DA H8 2.000 . 3.000 2.333 2.296 2.420 . 0 0 "[ . 1 . 2 .]" 2
199 2 5 DA H2'' 2 5 DA H8 3.000 . 4.000 3.926 3.897 3.994 . 0 0 "[ . 1 . 2 .]" 2
200 2 5 DA H3' 2 5 DA H8 3.000 . 5.000 3.692 3.506 3.947 . 0 0 "[ . 1 . 2 .]" 2
201 2 6 DC H3' 2 6 DC H4' 2.000 . 3.000 2.878 2.858 2.903 . 0 0 "[ . 1 . 2 .]" 2
202 2 6 DC H1' 2 6 DC H4' 3.000 . 4.000 3.318 3.196 3.428 . 0 0 "[ . 1 . 2 .]" 2
203 2 6 DC H2'' 2 6 DC H3' 2.000 . 3.000 2.802 2.781 2.820 . 0 0 "[ . 1 . 2 .]" 2
204 2 6 DC H2' 2 6 DC H3' 2.000 . 3.000 2.284 2.272 2.299 . 0 0 "[ . 1 . 2 .]" 2
205 2 6 DC H1' 2 6 DC H3' 3.000 . 4.000 3.983 3.927 4.020 0.020 13 0 "[ . 1 . 2 .]" 2
206 2 6 DC H1' 2 6 DC H6 3.000 . 4.000 3.757 3.730 3.772 . 0 0 "[ . 1 . 2 .]" 2
207 2 6 DC H2' 2 6 DC H6 2.000 . 3.000 2.332 2.273 2.448 . 0 0 "[ . 1 . 2 .]" 2
208 2 6 DC H2'' 2 6 DC H6 3.000 . 4.000 3.851 3.779 3.926 . 0 0 "[ . 1 . 2 .]" 2
209 2 6 DC H3' 2 6 DC H6 3.000 . 5.000 3.585 3.405 3.796 . 0 0 "[ . 1 . 2 .]" 2
210 2 7 DT H1' 2 7 DT H2' 3.000 . 4.000 2.911 2.861 2.959 . 0 0 "[ . 1 . 2 .]" 2
211 2 7 DT H6 2 7 DT M7 2.000 . 3.000 2.270 2.239 2.369 . 0 0 "[ . 1 . 2 .]" 2
212 2 7 DT H3' 2 7 DT H6 3.000 . 5.000 3.055 2.671 3.513 . 0 0 "[ . 1 . 2 .]" 2
213 2 7 DT H1' 2 7 DT H6 3.000 . 4.000 3.751 3.722 3.772 . 0 0 "[ . 1 . 2 .]" 2
214 2 7 DT H2' 2 7 DT H6 2.000 . 3.000 2.303 2.272 2.395 . 0 0 "[ . 1 . 2 .]" 2
215 2 7 DT H2'' 2 7 DT H6 3.000 . 4.000 3.819 3.763 3.910 . 0 0 "[ . 1 . 2 .]" 2
216 2 7 DT H1' 2 7 DT H2'' 2.000 . 2.500 2.262 2.250 2.280 . 0 0 "[ . 1 . 2 .]" 2
217 2 7 DT H3 2 7 DT M7 3.000 . 5.500 4.138 4.120 4.150 . 0 0 "[ . 1 . 2 .]" 2
218 2 8 DT H2' 2 8 DT H2'' 2.000 . 3.000 1.778 1.772 1.784 0.028 15 0 "[ . 1 . 2 .]" 2
219 2 8 DT H1' 2 8 DT H2' 2.000 . 3.000 2.983 2.963 2.998 . 0 0 "[ . 1 . 2 .]" 2
220 2 8 DT H1' 2 8 DT H2'' 2.000 . 2.500 2.278 2.262 2.289 . 0 0 "[ . 1 . 2 .]" 2
221 2 8 DT H1' 2 8 DT M7 3.000 . 6.500 5.211 5.180 5.227 . 0 0 "[ . 1 . 2 .]" 2
222 2 8 DT H2' 2 8 DT H6 2.000 . 3.000 2.303 2.247 2.362 . 0 0 "[ . 1 . 2 .]" 2
223 2 8 DT H6 2 8 DT M7 2.000 . 3.000 2.268 2.245 2.327 . 0 0 "[ . 1 . 2 .]" 2
224 2 8 DT H1' 2 8 DT H6 3.000 . 4.000 3.762 3.745 3.792 . 0 0 "[ . 1 . 2 .]" 2
225 2 8 DT H2'' 2 8 DT H6 3.000 . 4.000 3.829 3.773 3.881 . 0 0 "[ . 1 . 2 .]" 2
226 2 8 DT H3' 2 8 DT H6 3.000 . 5.000 3.635 3.445 3.769 . 0 0 "[ . 1 . 2 .]" 2
227 2 8 DT H3 2 8 DT M7 3.000 . 5.500 4.141 4.124 4.154 . 0 0 "[ . 1 . 2 .]" 2
228 2 9 DC H1' 2 9 DC H5'' 3.000 . 5.000 5.077 5.032 5.181 0.181 13 0 "[ . 1 . 2 .]" 2
229 2 9 DC H1' 2 9 DC H5' 3.000 . 5.000 4.770 4.471 4.863 . 0 0 "[ . 1 . 2 .]" 2
230 2 9 DC H2' 2 9 DC H3' 2.000 . 3.000 2.279 2.270 2.291 . 0 0 "[ . 1 . 2 .]" 2
231 2 9 DC H1' 2 9 DC H3' 3.000 . 4.000 4.009 3.959 4.051 0.051 13 0 "[ . 1 . 2 .]" 2
232 2 9 DC H2' 2 9 DC H2'' 2.000 . 2.500 1.782 1.774 1.785 0.026 15 0 "[ . 1 . 2 .]" 2
233 2 9 DC H1' 2 9 DC H2'' 2.000 . 3.000 2.268 2.258 2.280 . 0 0 "[ . 1 . 2 .]" 2
234 2 9 DC H2'' 2 9 DC H6 3.000 . 4.000 3.859 3.785 3.906 . 0 0 "[ . 1 . 2 .]" 2
235 2 9 DC H1' 2 9 DC H2' 2.000 . 3.000 2.955 2.918 2.990 . 0 0 "[ . 1 . 2 .]" 2
236 2 9 DC H3' 2 9 DC H6 3.000 . 5.000 3.399 3.057 3.677 . 0 0 "[ . 1 . 2 .]" 2
237 2 9 DC H5 2 9 DC H6 2.000 . 2.500 2.449 2.441 2.458 . 0 0 "[ . 1 . 2 .]" 2
238 2 9 DC H1' 2 9 DC H6 3.000 . 4.000 3.743 3.709 3.781 . 0 0 "[ . 1 . 2 .]" 2
239 2 10 DC H1' 2 10 DC H2' 3.000 . 4.000 2.944 2.895 2.973 . 0 0 "[ . 1 . 2 .]" 2
240 2 10 DC H1' 2 10 DC H2'' 2.000 . 3.000 2.267 2.254 2.279 . 0 0 "[ . 1 . 2 .]" 2
241 2 10 DC H3' 2 10 DC H6 3.000 . 5.000 3.279 2.929 3.497 . 0 0 "[ . 1 . 2 .]" 2
242 2 10 DC H5 2 10 DC H6 2.000 . 2.500 2.446 2.441 2.455 . 0 0 "[ . 1 . 2 .]" 2
243 2 10 DC H1' 2 10 DC H6 3.000 . 4.000 3.755 3.730 3.773 . 0 0 "[ . 1 . 2 .]" 2
244 2 11 DG H3' 2 11 DG H4' 2.000 . 3.000 2.862 2.841 2.877 . 0 0 "[ . 1 . 2 .]" 2
245 2 11 DG H1' 2 11 DG H5' 3.000 . 5.000 4.814 4.715 4.865 . 0 0 "[ . 1 . 2 .]" 2
246 2 11 DG H1' 2 11 DG H4' 3.000 . 4.000 3.435 3.372 3.527 . 0 0 "[ . 1 . 2 .]" 2
247 2 11 DG H2' 2 11 DG H3' 2.000 . 3.000 2.284 2.272 2.292 . 0 0 "[ . 1 . 2 .]" 2
248 2 11 DG H2'' 2 11 DG H3' 2.000 . 3.000 2.804 2.788 2.822 . 0 0 "[ . 1 . 2 .]" 2
249 2 11 DG H1' 2 11 DG H3' 3.000 . 4.000 4.018 3.996 4.046 0.046 13 0 "[ . 1 . 2 .]" 2
250 2 11 DG H1' 2 11 DG H2'' 2.000 . 2.500 2.278 2.265 2.289 . 0 0 "[ . 1 . 2 .]" 2
251 2 11 DG H1' 2 11 DG H2' 3.000 . 4.000 2.950 2.926 2.971 . 0 0 "[ . 1 . 2 .]" 2
252 2 11 DG H1' 2 11 DG H8 3.000 . 4.000 3.911 3.885 3.925 . 0 0 "[ . 1 . 2 .]" 2
253 2 11 DG H2' 2 11 DG H8 2.000 . 3.000 2.476 2.341 2.676 . 0 0 "[ . 1 . 2 .]" 2
254 2 11 DG H2'' 2 11 DG H8 3.000 . 4.500 4.035 3.927 4.184 . 0 0 "[ . 1 . 2 .]" 2
255 2 11 DG H3' 2 11 DG H8 3.000 . 5.000 3.728 3.598 3.854 . 0 0 "[ . 1 . 2 .]" 2
256 2 12 DG H1' 2 12 DG H3' 3.000 . 4.000 3.962 3.933 3.989 . 0 0 "[ . 1 . 2 .]" 2
257 2 12 DG H1' 2 12 DG H2'' 2.000 . 2.500 2.292 2.281 2.306 . 0 0 "[ . 1 . 2 .]" 2
258 2 12 DG H1' 2 12 DG H2' 2.000 . 3.000 2.979 2.966 2.997 . 0 0 "[ . 1 . 2 .]" 2
259 2 12 DG H1' 2 12 DG H8 3.000 . 4.000 3.908 3.885 3.929 . 0 0 "[ . 1 . 2 .]" 2
260 2 12 DG H2' 2 12 DG H8 2.000 . 3.000 2.526 2.388 2.673 . 0 0 "[ . 1 . 2 .]" 2
261 2 12 DG H2'' 2 12 DG H8 3.000 . 4.000 4.041 3.944 4.150 0.150 17 0 "[ . 1 . 2 .]" 2
262 2 12 DG H3' 2 12 DG H8 3.000 . 5.000 4.026 3.900 4.158 . 0 0 "[ . 1 . 2 .]" 2
263 2 13 DC H2'' 2 13 DC H6 3.000 . 4.000 3.870 3.834 3.943 . 0 0 "[ . 1 . 2 .]" 2
264 2 13 DC H2' 2 13 DC H6 2.000 . 3.000 2.368 2.325 2.485 . 0 0 "[ . 1 . 2 .]" 2
265 2 13 DC H1' 2 13 DC H2' 3.000 . 4.000 2.935 2.911 2.961 . 0 0 "[ . 1 . 2 .]" 2
266 2 13 DC H5 2 13 DC H6 2.000 . 2.500 2.446 2.439 2.452 . 0 0 "[ . 1 . 2 .]" 2
267 2 13 DC H1' 2 13 DC H6 3.000 . 4.000 3.736 3.718 3.750 . 0 0 "[ . 1 . 2 .]" 2
268 2 13 DC H3' 2 13 DC H6 3.000 . 5.000 3.240 3.081 3.404 . 0 0 "[ . 1 . 2 .]" 2
269 2 14 DT H3' 2 14 DT M7 3.000 . 6.500 5.163 5.014 5.305 . 0 0 "[ . 1 . 2 .]" 2
270 2 14 DT H6 2 14 DT M7 2.000 . 2.500 2.255 2.243 2.275 . 0 0 "[ . 1 . 2 .]" 2
271 2 14 DT H1' 2 14 DT M7 3.000 . 6.500 5.213 5.204 5.231 . 0 0 "[ . 1 . 2 .]" 2
272 2 14 DT H2'' 2 14 DT H6 3.000 . 4.000 3.842 3.786 3.868 . 0 0 "[ . 1 . 2 .]" 2
273 2 14 DT H2' 2 14 DT H6 2.000 . 3.000 2.318 2.255 2.348 . 0 0 "[ . 1 . 2 .]" 2
274 2 14 DT H1' 2 14 DT H6 3.000 . 4.000 3.756 3.742 3.777 . 0 0 "[ . 1 . 2 .]" 2
275 2 14 DT H3 2 14 DT M7 3.000 . 5.500 4.146 4.133 4.157 . 0 0 "[ . 1 . 2 .]" 2
276 2 15 DC H1' 2 15 DC H4' 3.000 . 4.000 3.545 3.440 3.652 . 0 0 "[ . 1 . 2 .]" 2
277 2 15 DC H2' 2 15 DC H3' 2.000 . 3.000 2.279 2.272 2.286 . 0 0 "[ . 1 . 2 .]" 2
278 2 15 DC H2'' 2 15 DC H3' 2.000 . 3.000 2.841 2.802 2.868 . 0 0 "[ . 1 . 2 .]" 2
279 2 15 DC H1' 2 15 DC H3' 3.000 . 4.000 4.052 4.017 4.075 0.075 4 0 "[ . 1 . 2 .]" 2
280 2 15 DC H2'' 2 15 DC H6 3.000 . 4.000 3.866 3.809 3.972 . 0 0 "[ . 1 . 2 .]" 2
281 2 15 DC H2' 2 15 DC H2'' 2.000 . 2.500 1.783 1.776 1.787 0.024 14 0 "[ . 1 . 2 .]" 2
282 2 15 DC H1' 2 15 DC H2'' 2.000 . 2.500 2.264 2.253 2.276 . 0 0 "[ . 1 . 2 .]" 2
283 2 15 DC H1' 2 15 DC H2' 3.000 . 4.000 2.915 2.872 2.959 . 0 0 "[ . 1 . 2 .]" 2
284 2 15 DC H2' 2 15 DC H5 3.000 . 5.000 4.314 4.278 4.370 . 0 0 "[ . 1 . 2 .]" 2
285 2 15 DC H1' 2 15 DC H6 3.000 . 4.000 3.742 3.730 3.759 . 0 0 "[ . 1 . 2 .]" 2
286 2 15 DC H5 2 15 DC H6 2.000 . 2.500 2.451 2.444 2.458 . 0 0 "[ . 1 . 2 .]" 2
287 2 16 DG H3' 2 16 DG H4' 2.000 . 3.000 2.857 2.843 2.876 . 0 0 "[ . 1 . 2 .]" 2
288 2 16 DG H1' 2 16 DG H4' 3.000 . 4.000 3.459 3.376 3.551 . 0 0 "[ . 1 . 2 .]" 2
289 2 16 DG H2'' 2 16 DG H3' 2.000 . 3.000 2.807 2.789 2.821 . 0 0 "[ . 1 . 2 .]" 2
290 2 16 DG H2' 2 16 DG H3' 2.000 . 3.000 2.281 2.269 2.290 . 0 0 "[ . 1 . 2 .]" 2
291 2 16 DG H1' 2 16 DG H3' 3.000 . 4.000 4.022 3.998 4.043 0.043 11 0 "[ . 1 . 2 .]" 2
292 2 16 DG H1' 2 16 DG H8 3.000 . 4.000 3.907 3.891 3.915 . 0 0 "[ . 1 . 2 .]" 2
293 2 16 DG H2' 2 16 DG H8 2.000 . 3.000 2.430 2.362 2.539 . 0 0 "[ . 1 . 2 .]" 2
294 2 16 DG H2'' 2 16 DG H8 3.000 . 4.000 4.002 3.948 4.075 0.075 23 0 "[ . 1 . 2 .]" 2
295 2 16 DG H3' 2 16 DG H8 3.000 . 5.000 3.670 3.524 3.819 . 0 0 "[ . 1 . 2 .]" 2
296 2 17 DA H1' 2 17 DA H2'' 2.000 . 3.000 2.274 2.269 2.279 . 0 0 "[ . 1 . 2 .]" 2
297 2 17 DA H1' 2 17 DA H2' 2.000 . 3.000 2.936 2.915 2.948 . 0 0 "[ . 1 . 2 .]" 2
298 2 17 DA H1' 2 17 DA H8 3.000 . 4.000 3.909 3.899 3.919 . 0 0 "[ . 1 . 2 .]" 2
299 2 17 DA H2' 2 17 DA H8 2.000 . 3.000 2.332 2.299 2.357 . 0 0 "[ . 1 . 2 .]" 2
300 2 17 DA H3' 2 17 DA H8 3.000 . 5.000 3.559 3.391 3.641 . 0 0 "[ . 1 . 2 .]" 2
301 2 17 DA H2'' 2 17 DA H8 3.000 . 4.000 3.936 3.904 3.958 . 0 0 "[ . 1 . 2 .]" 2
302 1 1 DT H3 1 1 DT M7 4.000 3.500 6.000 4.143 4.132 4.155 . 0 0 "[ . 1 . 2 .]" 2
303 1 2 DC H5 2 16 DG H1 3.000 . 5.000 4.830 4.783 4.896 . 0 0 "[ . 1 . 2 .]" 2
304 1 3 DG H1 2 15 DC H5 3.000 . 5.000 4.845 4.781 4.942 . 0 0 "[ . 1 . 2 .]" 2
305 1 5 DG H1 2 13 DC H5 3.000 . 5.000 4.845 4.755 4.967 . 0 0 "[ . 1 . 2 .]" 2
306 1 7 DC H5 2 11 DG H1 3.000 . 6.500 6.231 4.475 6.662 0.162 4 0 "[ . 1 . 2 .]" 2
307 1 8 DG H1 2 10 DC H5 3.000 . 5.000 4.895 4.704 5.056 0.056 3 0 "[ . 1 . 2 .]" 2
308 1 1 DT H3 2 16 DG H1 3.000 2.300 5.000 3.908 3.780 4.123 . 0 0 "[ . 1 . 2 .]" 2
309 1 3 DG H1 2 16 DG H1 3.000 2.300 5.000 4.445 4.262 4.667 . 0 0 "[ . 1 . 2 .]" 2
310 1 4 DA H2 2 14 DT H3 2.500 . 3.500 3.476 3.162 3.571 0.071 3 0 "[ . 1 . 2 .]" 2
311 1 5 DG H1 2 12 DG H1 3.000 2.300 5.000 3.550 2.972 4.113 . 0 0 "[ . 1 . 2 .]" 2
312 1 10 DA H2 2 8 DT H3 2.000 . 3.200 2.981 2.579 3.225 0.025 11 0 "[ . 1 . 2 .]" 2
313 1 11 DA H2 2 7 DT H3 2.000 . 3.000 2.715 2.612 3.003 0.003 5 0 "[ . 1 . 2 .]" 2
314 1 11 DA H2 2 8 DT H3 3.000 . 4.000 3.984 3.480 4.110 0.110 17 0 "[ . 1 . 2 .]" 2
315 1 13 DT H3 2 5 DA H2 2.000 . 3.500 3.237 2.822 3.557 0.057 14 0 "[ . 1 . 2 .]" 2
316 1 14 DT H3 2 4 DA H2 2.000 . 3.200 3.015 2.794 3.196 . 0 0 "[ . 1 . 2 .]" 2
317 1 14 DT H3 2 3 DG H1 3.000 . 4.000 4.023 3.830 4.131 0.131 1 0 "[ . 1 . 2 .]" 2
318 1 16 DG H1 2 3 DG H1 3.000 . 4.000 4.045 3.917 4.128 0.128 19 0 "[ . 1 . 2 .]" 2
319 1 17 DA H2 2 1 DT H3 2.000 . 3.500 3.507 3.381 3.576 0.076 1 0 "[ . 1 . 2 .]" 2
320 1 16 DG H1 2 1 DT H3 3.000 . 4.000 3.955 3.795 4.118 0.118 1 0 "[ . 1 . 2 .]" 2
321 1 12 DG H1 2 5 DA H2 3.000 2.300 5.000 5.017 4.655 5.124 0.124 1 0 "[ . 1 . 2 .]" 2
322 1 14 DT H3 2 5 DA H2 3.000 . 4.000 3.579 3.100 4.072 0.072 6 0 "[ . 1 . 2 .]" 2
323 1 12 DG H1 2 7 DT H3 3.000 . 4.000 3.676 3.342 4.032 0.032 2 0 "[ . 1 . 2 .]" 2
324 1 9 DG H1 2 8 DT H3 3.000 . 4.000 4.007 3.751 4.090 0.090 1 0 "[ . 1 . 2 .]" 2
325 1 8 DG H1 2 11 DG H1 3.000 2.300 6.000 4.358 3.273 5.063 . 0 0 "[ . 1 . 2 .]" 2
326 1 3 DG H1 2 14 DT H3 3.000 . 4.000 3.914 3.617 4.139 0.139 12 0 "[ . 1 . 2 .]" 2
327 1 5 DG H1 2 14 DT H3 3.000 . 4.000 3.516 3.066 4.004 0.004 23 0 "[ . 1 . 2 .]" 2
328 1 1 DT H1' 1 2 DC H6 3.000 . 5.000 4.253 4.160 4.358 . 0 0 "[ . 1 . 2 .]" 2
329 1 1 DT H2' 1 2 DC H6 3.000 2.800 4.000 2.807 2.679 3.241 0.121 19 0 "[ . 1 . 2 .]" 2
330 1 1 DT H2'' 1 2 DC H6 2.000 . 3.000 2.329 2.290 2.385 . 0 0 "[ . 1 . 2 .]" 2
331 1 1 DT H3' 1 2 DC H6 3.000 . 5.000 4.180 4.003 4.387 . 0 0 "[ . 1 . 2 .]" 2
332 1 1 DT M7 1 2 DC H5 3.000 . 6.000 4.062 3.809 4.599 . 0 0 "[ . 1 . 2 .]" 2
333 1 2 DC H2'' 1 3 DG H8 2.000 . 3.000 2.436 2.320 2.577 . 0 0 "[ . 1 . 2 .]" 2
334 1 2 DC H1' 1 3 DG H8 3.000 . 5.000 4.402 4.250 4.654 . 0 0 "[ . 1 . 2 .]" 2
335 1 2 DC H2' 1 3 DG H8 3.000 2.800 4.000 3.488 2.928 3.922 . 0 0 "[ . 1 . 2 .]" 2
336 1 2 DC H3' 1 3 DG H8 3.000 . 5.000 4.467 4.241 4.651 . 0 0 "[ . 1 . 2 .]" 2
337 1 3 DG H3' 1 4 DA H8 3.000 . 5.000 4.429 4.284 4.561 . 0 0 "[ . 1 . 2 .]" 2
338 1 3 DG H1' 1 4 DA H8 3.000 . 5.000 4.123 3.970 4.325 . 0 0 "[ . 1 . 2 .]" 2
339 1 3 DG H2' 1 4 DA H8 3.000 2.800 3.000 2.967 2.794 3.071 0.071 1 0 "[ . 1 . 2 .]" 2
340 1 4 DA H2'' 1 5 DG H8 2.000 . 3.000 2.445 2.306 2.736 . 0 0 "[ . 1 . 2 .]" 2
341 1 4 DA H3' 1 5 DG H8 3.000 . 5.000 4.379 3.800 4.771 . 0 0 "[ . 1 . 2 .]" 2
342 1 4 DA H2' 1 5 DG H8 3.000 2.800 4.000 3.151 2.763 3.927 0.037 14 0 "[ . 1 . 2 .]" 2
343 1 4 DA H1' 1 5 DG H8 3.000 . 5.000 4.372 4.080 4.740 . 0 0 "[ . 1 . 2 .]" 2
344 1 5 DG H2'' 1 6 DC H6 2.000 . 3.000 2.294 2.238 2.366 . 0 0 "[ . 1 . 2 .]" 2
345 1 5 DG H2' 1 6 DC H6 3.000 2.800 4.000 3.206 2.631 3.760 0.169 8 0 "[ . 1 . 2 .]" 2
346 1 5 DG H3' 1 6 DC H6 3.000 . 5.000 4.634 4.187 4.899 . 0 0 "[ . 1 . 2 .]" 2
347 1 5 DG H8 1 6 DC H5 3.000 . 4.000 3.818 3.228 4.087 0.087 17 0 "[ . 1 . 2 .]" 2
348 1 5 DG H1' 1 6 DC H6 3.000 . 5.000 3.875 3.414 4.225 . 0 0 "[ . 1 . 2 .]" 2
349 1 6 DC H5 1 7 DC H5 3.000 . 5.000 4.768 4.130 5.173 0.173 8 0 "[ . 1 . 2 .]" 2
350 1 6 DC H2'' 1 7 DC H6 3.000 . 6.000 2.377 2.254 2.579 . 0 0 "[ . 1 . 2 .]" 2
351 1 6 DC H2' 1 7 DC H6 3.000 . 5.000 2.795 2.348 3.999 . 0 0 "[ . 1 . 2 .]" 2
352 1 6 DC H6 1 7 DC H5 3.000 . 5.000 4.119 3.540 4.463 . 0 0 "[ . 1 . 2 .]" 2
353 1 6 DC H1' 1 7 DC H6 3.000 . 6.500 3.972 2.360 4.379 . 0 0 "[ . 1 . 2 .]" 2
354 1 6 DC H3' 1 7 DC H6 3.000 . 6.000 4.303 3.931 4.929 . 0 0 "[ . 1 . 2 .]" 2
355 1 7 DC H2' 1 8 DG H8 3.000 . 5.000 3.067 2.275 4.130 . 0 0 "[ . 1 . 2 .]" 2
356 1 7 DC H2'' 1 8 DG H8 3.000 . 5.000 2.432 2.247 2.998 . 0 0 "[ . 1 . 2 .]" 2
357 1 7 DC H3' 1 8 DG H8 3.000 . 6.000 4.283 3.173 4.942 . 0 0 "[ . 1 . 2 .]" 2
358 1 7 DC H1' 1 8 DG H8 3.000 . 5.000 4.164 2.745 5.047 0.047 21 0 "[ . 1 . 2 .]" 2
359 1 8 DG H2' 1 9 DG H8 3.000 . 4.000 2.738 2.340 3.406 . 0 0 "[ . 1 . 2 .]" 2
360 1 8 DG H2'' 1 9 DG H8 2.000 . 3.000 2.334 2.276 2.543 . 0 0 "[ . 1 . 2 .]" 2
361 1 8 DG H1' 1 9 DG H8 3.000 . 5.000 4.009 3.414 4.577 . 0 0 "[ . 1 . 2 .]" 2
362 1 8 DG H3' 1 9 DG H8 3.000 . 5.000 4.364 4.003 5.025 0.025 19 0 "[ . 1 . 2 .]" 2
363 1 9 DG H2'' 1 10 DA H8 2.000 . 3.000 2.329 2.269 2.432 . 0 0 "[ . 1 . 2 .]" 2
364 1 9 DG H2' 1 10 DA H8 3.000 2.800 4.000 3.211 2.690 3.595 0.110 15 0 "[ . 1 . 2 .]" 2
365 1 9 DG H1' 1 10 DA H8 3.000 . 5.000 3.910 3.626 4.085 . 0 0 "[ . 1 . 2 .]" 2
366 1 9 DG H3' 1 10 DA H8 3.000 . 5.000 4.731 4.484 4.966 . 0 0 "[ . 1 . 2 .]" 2
367 1 10 DA H2' 1 11 DA H8 3.000 2.800 4.000 3.256 2.842 3.848 . 0 0 "[ . 1 . 2 .]" 2
368 1 10 DA H1' 1 11 DA H8 3.000 . 5.000 3.991 3.876 4.210 . 0 0 "[ . 1 . 2 .]" 2
369 1 10 DA H2'' 1 11 DA H8 2.000 . 3.000 2.328 2.267 2.479 . 0 0 "[ . 1 . 2 .]" 2
370 1 10 DA H3' 1 11 DA H8 3.000 . 5.000 4.681 4.332 4.811 . 0 0 "[ . 1 . 2 .]" 2
371 1 11 DA H2'' 1 12 DG H8 2.000 . 3.000 2.309 2.268 2.348 . 0 0 "[ . 1 . 2 .]" 2
372 1 11 DA H3' 1 12 DG H8 3.000 . 5.000 4.538 4.158 4.747 . 0 0 "[ . 1 . 2 .]" 2
373 1 11 DA H1' 1 12 DG H8 3.000 . 5.000 3.855 3.624 4.174 . 0 0 "[ . 1 . 2 .]" 2
374 1 11 DA H2' 1 12 DG H8 3.000 . 4.000 2.816 2.423 3.092 . 0 0 "[ . 1 . 2 .]" 2
375 1 12 DG H3' 1 13 DT M7 3.000 . 6.500 3.477 3.270 3.907 . 0 0 "[ . 1 . 2 .]" 2
376 1 12 DG H2'' 1 13 DT H6 2.000 . 3.000 2.343 2.267 2.487 . 0 0 "[ . 1 . 2 .]" 2
377 1 12 DG H2' 1 13 DT H6 3.000 2.800 4.000 3.463 3.031 3.905 . 0 0 "[ . 1 . 2 .]" 2
378 1 12 DG H8 1 13 DT M7 3.000 . 4.000 3.237 2.692 3.683 . 0 0 "[ . 1 . 2 .]" 2
379 1 12 DG H2'' 1 13 DT M7 2.000 . 3.000 2.598 2.292 2.947 . 0 0 "[ . 1 . 2 .]" 2
380 1 12 DG H2' 1 13 DT M7 3.000 . 4.000 2.210 2.119 2.365 . 0 0 "[ . 1 . 2 .]" 2
381 1 12 DG H1' 1 13 DT M7 3.000 . 6.000 4.202 3.907 4.407 . 0 0 "[ . 1 . 2 .]" 2
382 1 12 DG H3' 1 13 DT H6 3.000 . 5.000 4.662 4.409 4.885 . 0 0 "[ . 1 . 2 .]" 2
383 1 12 DG H1' 1 13 DT H6 3.000 . 5.000 4.090 3.756 4.278 . 0 0 "[ . 1 . 2 .]" 2
384 1 13 DT H3' 1 14 DT M7 3.000 . 6.500 3.480 3.042 3.936 . 0 0 "[ . 1 . 2 .]" 2
385 1 13 DT H6 1 14 DT M7 3.000 . 4.000 3.241 2.698 3.753 . 0 0 "[ . 1 . 2 .]" 2
386 1 13 DT M7 1 14 DT M7 3.000 . 6.000 3.252 2.679 3.754 . 0 0 "[ . 1 . 2 .]" 2
387 1 13 DT H1' 1 14 DT M7 3.000 . 6.500 4.344 4.162 4.520 . 0 0 "[ . 1 . 2 .]" 2
388 1 13 DT H6 1 14 DT H6 3.000 . 6.000 5.305 4.876 5.590 . 0 0 "[ . 1 . 2 .]" 2
389 1 13 DT H3' 1 14 DT H6 3.000 . 5.000 4.494 4.175 4.734 . 0 0 "[ . 1 . 2 .]" 2
390 1 13 DT H1' 1 14 DT H6 3.000 . 5.000 4.163 3.871 4.324 . 0 0 "[ . 1 . 2 .]" 2
391 1 13 DT H2' 1 14 DT H6 3.000 2.800 4.000 3.130 2.730 3.499 0.070 8 0 "[ . 1 . 2 .]" 2
392 1 13 DT H2'' 1 14 DT H6 2.000 . 3.000 2.328 2.266 2.393 . 0 0 "[ . 1 . 2 .]" 2
393 1 14 DT H2'' 1 15 DC H6 2.000 . 3.000 2.343 2.294 2.454 . 0 0 "[ . 1 . 2 .]" 2
394 1 14 DT H2' 1 15 DC H6 3.000 2.800 4.000 3.783 3.303 3.992 . 0 0 "[ . 1 . 2 .]" 2
395 1 14 DT M7 1 15 DC H5 3.000 . 6.000 4.961 4.393 5.296 . 0 0 "[ . 1 . 2 .]" 2
396 1 14 DT H1' 1 15 DC H6 3.000 . 5.000 3.986 3.689 4.292 . 0 0 "[ . 1 . 2 .]" 2
397 1 14 DT H3' 1 15 DC H6 3.000 . 5.000 4.695 4.540 4.829 . 0 0 "[ . 1 . 2 .]" 2
398 1 15 DC H2'' 1 16 DG H8 2.000 . 3.000 2.350 2.297 2.451 . 0 0 "[ . 1 . 2 .]" 2
399 1 15 DC H3' 1 16 DG H8 3.000 . 5.000 4.001 3.803 4.210 . 0 0 "[ . 1 . 2 .]" 2
400 1 15 DC H1' 1 16 DG H8 3.000 . 5.000 4.295 4.134 4.540 . 0 0 "[ . 1 . 2 .]" 2
401 1 15 DC H2' 1 16 DG H8 3.000 . 4.000 2.633 2.404 3.059 . 0 0 "[ . 1 . 2 .]" 2
402 1 16 DG H1' 1 17 DA H8 3.000 . 5.000 3.867 3.771 3.938 . 0 0 "[ . 1 . 2 .]" 2
403 1 16 DG H2' 1 17 DA H8 3.000 2.800 4.000 3.057 2.871 3.298 . 0 0 "[ . 1 . 2 .]" 2
404 1 16 DG H2'' 1 17 DA H8 2.000 . 3.000 2.313 2.281 2.343 . 0 0 "[ . 1 . 2 .]" 2
405 1 16 DG H3' 1 17 DA H8 3.000 . 5.000 4.675 4.553 4.828 . 0 0 "[ . 1 . 2 .]" 2
406 2 1 DT H1' 2 2 DC H6 3.000 . 5.000 4.270 4.103 4.476 . 0 0 "[ . 1 . 2 .]" 2
407 2 1 DT H2' 2 2 DC H6 3.000 2.800 4.000 3.371 3.029 3.616 . 0 0 "[ . 1 . 2 .]" 2
408 2 1 DT H2'' 2 2 DC H6 2.000 . 3.000 2.325 2.284 2.382 . 0 0 "[ . 1 . 2 .]" 2
409 2 1 DT H3' 2 2 DC H6 3.000 . 5.000 4.404 4.069 4.586 . 0 0 "[ . 1 . 2 .]" 2
410 2 2 DC H1' 2 3 DG H8 3.000 . 5.000 4.508 4.276 4.796 . 0 0 "[ . 1 . 2 .]" 2
411 2 2 DC H2' 2 3 DG H8 3.000 2.800 4.000 2.774 2.704 2.852 0.096 18 0 "[ . 1 . 2 .]" 2
412 2 2 DC H2'' 2 3 DG H8 2.000 . 3.000 2.454 2.312 2.693 . 0 0 "[ . 1 . 2 .]" 2
413 2 2 DC H3' 2 3 DG H8 3.000 . 5.000 3.953 3.690 4.130 . 0 0 "[ . 1 . 2 .]" 2
414 2 3 DG H1' 2 4 DA H8 3.000 . 5.000 4.144 4.007 4.274 . 0 0 "[ . 1 . 2 .]" 2
415 2 3 DG H2' 2 4 DA H8 3.000 2.800 4.000 3.299 3.027 3.525 . 0 0 "[ . 1 . 2 .]" 2
416 2 3 DG H2'' 2 4 DA H8 3.000 . 4.000 2.342 2.293 2.415 . 0 0 "[ . 1 . 2 .]" 2
417 2 3 DG H3' 2 4 DA H8 3.000 . 5.000 4.588 4.412 4.738 . 0 0 "[ . 1 . 2 .]" 2
418 2 4 DA H1' 2 5 DA H8 3.000 . 5.000 4.001 3.830 4.244 . 0 0 "[ . 1 . 2 .]" 2
419 2 4 DA H2' 2 5 DA H8 3.000 2.800 4.000 2.958 2.745 3.194 0.055 23 0 "[ . 1 . 2 .]" 2
420 2 4 DA H2'' 2 5 DA H8 2.000 . 3.000 2.302 2.242 2.359 . 0 0 "[ . 1 . 2 .]" 2
421 2 4 DA H3' 2 5 DA H8 3.000 . 5.000 4.523 4.264 4.701 . 0 0 "[ . 1 . 2 .]" 2
422 2 5 DA H1' 2 6 DC H6 3.000 . 5.000 4.349 4.093 4.670 . 0 0 "[ . 1 . 2 .]" 2
423 2 5 DA H2' 2 6 DC H6 3.000 2.800 4.000 3.100 2.722 3.531 0.078 16 0 "[ . 1 . 2 .]" 2
424 2 5 DA H2'' 2 6 DC H6 2.000 . 3.000 2.340 2.292 2.498 . 0 0 "[ . 1 . 2 .]" 2
425 2 5 DA H3' 2 6 DC H6 3.000 . 5.000 4.231 3.966 4.560 . 0 0 "[ . 1 . 2 .]" 2
426 2 6 DC H1' 2 7 DT H6 3.000 . 5.000 3.787 3.338 4.219 . 0 0 "[ . 1 . 2 .]" 2
427 2 6 DC H2' 2 7 DT H6 3.000 2.800 4.000 3.589 3.272 3.860 . 0 0 "[ . 1 . 2 .]" 2
428 2 6 DC H2'' 2 7 DT H6 2.000 . 3.000 2.304 2.240 2.523 . 0 0 "[ . 1 . 2 .]" 2
429 2 6 DC H3' 2 7 DT H6 3.000 . 5.000 4.856 4.539 4.979 . 0 0 "[ . 1 . 2 .]" 2
430 2 7 DT H6 2 8 DT M7 3.000 . 4.000 2.639 2.341 3.262 . 0 0 "[ . 1 . 2 .]" 2
431 2 7 DT H2' 2 8 DT H2'' 3.000 . 6.000 6.082 6.006 6.185 0.185 15 0 "[ . 1 . 2 .]" 2
432 2 7 DT H2' 2 8 DT H6 3.000 . 4.000 2.501 2.382 2.735 . 0 0 "[ . 1 . 2 .]" 2
433 2 7 DT H1' 2 8 DT H6 3.000 . 5.000 4.210 4.058 4.447 . 0 0 "[ . 1 . 2 .]" 2
434 2 7 DT H2'' 2 8 DT H6 2.000 . 3.000 2.387 2.316 2.515 . 0 0 "[ . 1 . 2 .]" 2
435 2 7 DT H3' 2 8 DT H6 3.000 . 5.000 4.094 3.947 4.303 . 0 0 "[ . 1 . 2 .]" 2
436 2 8 DT H2'' 2 9 DC H6 2.000 . 3.000 2.329 2.173 2.622 . 0 0 "[ . 1 . 2 .]" 2
437 2 8 DT H2' 2 9 DC H6 3.000 2.800 5.000 3.462 2.877 3.908 . 0 0 "[ . 1 . 2 .]" 2
438 2 8 DT H1' 2 9 DC H6 3.000 . 5.000 4.082 3.524 4.657 . 0 0 "[ . 1 . 2 .]" 2
439 2 8 DT H3' 2 9 DC H6 3.000 . 5.000 4.594 4.254 4.822 . 0 0 "[ . 1 . 2 .]" 2
440 2 9 DC H2' 2 10 DC H6 3.000 2.800 4.000 2.947 2.710 3.524 0.090 6 0 "[ . 1 . 2 .]" 2
441 2 9 DC H6 2 10 DC H5 3.000 . 4.000 3.750 3.274 4.070 0.070 21 0 "[ . 1 . 2 .]" 2
442 2 9 DC H1' 2 10 DC H6 3.000 . 5.000 4.099 3.833 4.303 . 0 0 "[ . 1 . 2 .]" 2
443 2 9 DC H2'' 2 10 DC H6 2.000 . 3.000 2.291 2.263 2.327 . 0 0 "[ . 1 . 2 .]" 2
444 2 9 DC H3' 2 10 DC H6 3.000 . 5.000 4.399 4.080 4.779 . 0 0 "[ . 1 . 2 .]" 2
445 2 10 DC H1' 2 11 DG H8 3.000 . 6.000 4.487 4.244 4.710 . 0 0 "[ . 1 . 2 .]" 2
446 2 10 DC H2' 2 11 DG H8 3.000 2.800 5.000 2.837 2.686 3.224 0.114 6 0 "[ . 1 . 2 .]" 2
447 2 10 DC H2'' 2 11 DG H8 2.000 . 4.000 2.446 2.323 2.684 . 0 0 "[ . 1 . 2 .]" 2
448 2 10 DC H3' 2 11 DG H8 3.000 . 6.000 4.084 3.845 4.292 . 0 0 "[ . 1 . 2 .]" 2
449 2 11 DG H1' 2 12 DG H8 3.000 . 6.000 3.767 3.232 4.251 . 0 0 "[ . 1 . 2 .]" 2
450 2 11 DG H2' 2 12 DG H8 3.000 . 5.000 3.399 2.843 3.784 . 0 0 "[ . 1 . 2 .]" 2
451 2 11 DG H2'' 2 12 DG H8 3.000 . 5.000 2.348 2.289 2.505 . 0 0 "[ . 1 . 2 .]" 2
452 2 11 DG H3' 2 12 DG H8 3.000 . 6.000 4.843 4.405 5.130 . 0 0 "[ . 1 . 2 .]" 2
453 2 12 DG H1' 2 13 DC H6 3.000 . 5.000 3.467 3.219 3.756 . 0 0 "[ . 1 . 2 .]" 2
454 2 12 DG H2' 2 13 DC H6 3.000 . 5.000 3.670 3.342 3.909 . 0 0 "[ . 1 . 2 .]" 2
455 2 12 DG H2'' 2 13 DC H6 3.000 . 5.000 2.289 2.253 2.359 . 0 0 "[ . 1 . 2 .]" 2
456 2 12 DG H3' 2 13 DC H6 3.000 . 6.000 4.947 4.837 5.083 . 0 0 "[ . 1 . 2 .]" 2
457 2 12 DG H1 2 13 DC H5 3.000 . 5.500 5.458 4.969 5.590 0.090 12 0 "[ . 1 . 2 .]" 2
458 2 13 DC H6 2 14 DT M7 2.000 . 3.000 3.031 2.866 3.122 0.122 6 0 "[ . 1 . 2 .]" 2
459 2 13 DC H1' 2 14 DT H6 3.000 . 5.000 4.202 4.080 4.295 . 0 0 "[ . 1 . 2 .]" 2
460 2 13 DC H2' 2 14 DT H6 3.000 2.800 4.000 2.799 2.636 2.978 0.164 2 0 "[ . 1 . 2 .]" 2
461 2 13 DC H2'' 2 14 DT H6 2.000 . 3.000 2.322 2.263 2.409 . 0 0 "[ . 1 . 2 .]" 2
462 2 13 DC H3' 2 14 DT H6 3.000 . 5.000 4.257 4.132 4.431 . 0 0 "[ . 1 . 2 .]" 2
463 2 14 DT H2' 2 15 DC H6 3.000 2.800 4.000 3.759 3.027 3.960 . 0 0 "[ . 1 . 2 .]" 2
464 2 14 DT M7 2 15 DC H5 3.000 . 6.500 4.953 3.942 5.251 . 0 0 "[ . 1 . 2 .]" 2
465 2 14 DT H1' 2 15 DC H6 3.000 . 5.000 3.963 3.626 4.323 . 0 0 "[ . 1 . 2 .]" 2
466 2 14 DT H2'' 2 15 DC H6 2.000 . 3.000 2.331 2.281 2.424 . 0 0 "[ . 1 . 2 .]" 2
467 2 14 DT H3' 2 15 DC H6 3.000 . 5.000 4.694 4.410 4.839 . 0 0 "[ . 1 . 2 .]" 2
468 2 15 DC H1' 2 16 DG H8 3.000 . 5.000 4.335 4.181 4.631 . 0 0 "[ . 1 . 2 .]" 2
469 2 15 DC H2' 2 16 DG H8 3.000 2.800 4.000 3.005 2.713 3.417 0.087 4 0 "[ . 1 . 2 .]" 2
470 2 15 DC H2'' 2 16 DG H8 2.000 . 3.000 2.373 2.309 2.623 . 0 0 "[ . 1 . 2 .]" 2
471 2 15 DC H3' 2 16 DG H8 3.000 . 5.000 4.262 3.896 4.492 . 0 0 "[ . 1 . 2 .]" 2
472 2 16 DG H1' 2 17 DA H8 3.000 . 5.000 3.957 3.844 4.089 . 0 0 "[ . 1 . 2 .]" 2
473 2 16 DG H2' 2 17 DA H8 3.000 2.800 4.000 2.888 2.759 2.994 0.041 9 0 "[ . 1 . 2 .]" 2
474 2 16 DG H2'' 2 17 DA H8 2.000 . 3.000 2.324 2.270 2.395 . 0 0 "[ . 1 . 2 .]" 2
475 2 16 DG H3' 2 17 DA H8 3.000 . 5.000 4.536 4.399 4.657 . 0 0 "[ . 1 . 2 .]" 2
476 1 3 DG H1 1 4 DA H2 3.000 2.300 5.000 4.058 3.396 4.735 . 0 0 "[ . 1 . 2 .]" 2
477 1 4 DA H2 1 5 DG H1 3.000 2.500 5.000 4.436 3.427 5.091 0.091 22 0 "[ . 1 . 2 .]" 2
478 1 8 DG H1 1 9 DG H1 3.000 2.300 5.000 4.075 3.464 4.591 . 0 0 "[ . 1 . 2 .]" 2
479 1 9 DG H1 1 10 DA H2 3.000 2.300 5.000 4.045 3.412 4.549 . 0 0 "[ . 1 . 2 .]" 2
480 1 10 DA H2 1 11 DA H2 3.000 2.300 5.000 3.728 3.111 4.279 . 0 0 "[ . 1 . 2 .]" 2
481 1 11 DA H2 1 12 DG H1 3.000 2.300 5.000 4.953 4.610 5.101 0.101 22 0 "[ . 1 . 2 .]" 2
482 1 12 DG H1 1 13 DT H3 3.000 . 4.000 3.982 3.685 4.174 0.174 3 0 "[ . 1 . 2 .]" 2
483 1 13 DT H3 1 14 DT H3 3.000 . 4.000 3.972 3.672 4.128 0.128 2 0 "[ . 1 . 2 .]" 2
484 1 16 DG H1 1 17 DA H2 3.000 . 4.000 3.978 3.866 4.051 0.051 12 0 "[ . 1 . 2 .]" 2
485 2 3 DG H1 2 4 DA H2 3.000 . 4.000 3.714 3.094 4.014 0.014 10 0 "[ . 1 . 2 .]" 2
486 2 4 DA H2 2 5 DA H2 3.000 . 4.000 3.801 3.499 4.062 0.062 19 0 "[ . 1 . 2 .]" 2
487 2 7 DT H3 2 8 DT H3 3.000 . 4.000 3.818 3.509 4.059 0.059 14 0 "[ . 1 . 2 .]" 2
488 2 16 DG H1 2 17 DA H2 3.000 2.300 5.000 4.742 4.431 5.020 0.020 1 0 "[ . 1 . 2 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 33
_Distance_constraint_stats_list.Viol_count 221
_Distance_constraint_stats_list.Viol_total 605.834
_Distance_constraint_stats_list.Viol_max 0.488
_Distance_constraint_stats_list.Viol_rms 0.0667
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0294
_Distance_constraint_stats_list.Viol_average_violations_only 0.1097
_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 5 DG 3.283 0.213 20 0 "[ . 1 . 2 .]"
1 6 DC 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 DC 8.037 0.488 21 0 "[ . 1 . 2 .]"
1 8 DG 0.515 0.132 10 0 "[ . 1 . 2 .]"
1 14 DT 0.259 0.079 21 0 "[ . 1 . 2 .]"
1 15 DC 0.259 0.079 21 0 "[ . 1 . 2 .]"
2 5 DA 0.729 0.213 2 0 "[ . 1 . 2 .]"
2 6 DC 1.262 0.231 16 0 "[ . 1 . 2 .]"
2 7 DT 7.982 0.359 17 0 "[ . 1 . 2 .]"
2 8 DT 6.780 0.359 17 0 "[ . 1 . 2 .]"
3 15 PRO 0.259 0.079 21 0 "[ . 1 . 2 .]"
3 18 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 56 TRP 4.615 0.359 17 0 "[ . 1 . 2 .]"
3 60 LYS 0.609 0.095 22 0 "[ . 1 . 2 .]"
3 62 LYS 1.585 0.208 8 0 "[ . 1 . 2 .]"
3 65 MET 0.107 0.051 6 0 "[ . 1 . 2 .]"
3 67 TYR 2.409 0.213 20 0 "[ . 1 . 2 .]"
3 69 LYS 0.233 0.106 17 0 "[ . 1 . 2 .]"
3 71 SER 6.382 0.488 21 0 "[ . 1 . 2 .]"
3 72 ARG 0.240 0.159 8 0 "[ . 1 . 2 .]"
3 75 ARG 0.515 0.132 10 0 "[ . 1 . 2 .]"
3 76 TYR 2.758 0.211 15 0 "[ . 1 . 2 .]"
3 77 TYR 1.262 0.231 16 0 "[ . 1 . 2 .]"
3 80 LYS 0.729 0.213 2 0 "[ . 1 . 2 .]"
3 85 LYS 1.655 0.237 2 0 "[ . 1 . 2 .]"
3 90 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 91 TYR 0.875 0.129 12 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 DT Q5' 3 15 PRO QB 4.000 . 6.000 5.336 3.478 6.079 0.079 21 0 "[ . 1 . 2 .]" 3
2 2 6 DC Q5' 3 18 LEU QD 4.000 . 5.000 3.147 2.433 4.206 . 0 0 "[ . 1 . 2 .]" 3
3 2 7 DT OP1 3 56 TRP HE1 2.000 . 2.500 2.685 2.523 2.859 0.359 17 0 "[ . 1 . 2 .]" 3
4 2 7 DT Q5' 3 60 LYS QD 4.000 . 6.000 3.304 2.186 5.224 . 0 0 "[ . 1 . 2 .]" 3
5 2 7 DT H1' 3 60 LYS QE 4.000 . 6.000 5.363 4.455 6.052 0.052 17 0 "[ . 1 . 2 .]" 3
6 2 7 DT Q5' 3 60 LYS QE 3.000 . 3.300 2.678 2.117 3.384 0.084 19 0 "[ . 1 . 2 .]" 3
7 2 7 DT H3' 3 60 LYS QE 4.000 . 6.000 3.761 2.323 5.058 . 0 0 "[ . 1 . 2 .]" 3
8 2 7 DT H2' 3 60 LYS QE 4.000 . 6.000 5.386 4.373 6.095 0.095 22 0 "[ . 1 . 2 .]" 3
9 2 7 DT H3' 3 60 LYS QD 4.000 . 5.000 4.010 3.290 5.043 0.043 9 0 "[ . 1 . 2 .]" 3
10 2 7 DT H3' 3 60 LYS QG 4.000 . 6.000 4.969 3.559 5.891 . 0 0 "[ . 1 . 2 .]" 3
11 2 7 DT H3' 3 62 LYS QE 4.000 2.800 5.000 4.181 3.311 4.653 . 0 0 "[ . 1 . 2 .]" 3
12 2 8 DT H6 3 62 LYS QE 4.000 . 6.000 6.052 5.935 6.208 0.208 8 0 "[ . 1 . 2 .]" 3
13 2 8 DT M7 3 65 MET ME 4.000 . 6.000 5.136 3.877 6.051 0.051 6 0 "[ . 1 . 2 .]" 3
14 2 8 DT Q5' 3 65 MET ME 4.000 . 5.000 3.560 2.209 4.624 . 0 0 "[ . 1 . 2 .]" 3
15 1 5 DG H3' 3 67 TYR QE 4.000 . 6.000 6.075 5.636 6.213 0.213 20 0 "[ . 1 . 2 .]" 3
16 2 8 DT M7 3 69 LYS HA 3.000 . 4.000 3.712 3.003 4.106 0.106 17 0 "[ . 1 . 2 .]" 3
17 1 7 DC H4' 3 71 SER QB 4.000 . 6.000 6.255 6.126 6.488 0.488 21 0 "[ . 1 . 2 .]" 3
18 2 8 DT H6 3 72 ARG QB 4.000 . 6.000 5.363 4.534 6.159 0.159 8 0 "[ . 1 . 2 .]" 3
19 1 8 DG N7 3 75 ARG NH1 4.000 . 4.010 3.681 2.879 4.142 0.132 10 0 "[ . 1 . 2 .]" 3
20 2 7 DT M7 3 76 TYR QD 4.000 2.800 6.000 2.780 2.619 3.022 0.181 22 0 "[ . 1 . 2 .]" 3
21 2 7 DT M7 3 76 TYR QE 3.000 . 3.800 3.842 3.546 4.011 0.211 15 0 "[ . 1 . 2 .]" 3
22 2 6 DC H2' 3 76 TYR QE 4.000 . 6.000 5.146 4.264 5.892 . 0 0 "[ . 1 . 2 .]" 3
23 2 6 DC H2' 3 77 TYR QE 4.000 . 5.000 4.519 3.794 5.034 0.034 21 0 "[ . 1 . 2 .]" 3
24 2 6 DC OP1 3 77 TYR HH 2.000 . 2.500 2.498 2.083 2.731 0.231 16 0 "[ . 1 . 2 .]" 3
25 2 5 DA H4' 3 80 LYS QD 4.000 . 6.000 5.697 4.654 6.213 0.213 2 0 "[ . 1 . 2 .]" 3
26 1 7 DC Q5' 3 85 LYS QB 4.000 . 6.000 5.148 3.644 6.128 0.128 16 0 "[ . 1 . 2 .]" 3
27 1 7 DC H3' 3 85 LYS QE 4.000 . 5.000 4.853 3.835 5.237 0.237 2 0 "[ . 1 . 2 .]" 3
28 1 7 DC Q5' 3 85 LYS QE 4.000 . 5.000 3.152 2.305 4.373 . 0 0 "[ . 1 . 2 .]" 3
29 1 5 DG H5' 3 90 ARG QB 4.000 . 6.000 3.811 2.259 5.973 . 0 0 "[ . 1 . 2 .]" 3
30 1 5 DG Q5' 3 91 TYR QE 4.000 2.800 5.000 3.986 3.555 4.365 . 0 0 "[ . 1 . 2 .]" 3
31 1 5 DG H4' 3 91 TYR QE 4.000 . 6.000 3.522 3.048 4.158 . 0 0 "[ . 1 . 2 .]" 3
32 1 5 DG H3' 3 91 TYR QE 4.000 . 5.000 3.953 3.703 4.215 . 0 0 "[ . 1 . 2 .]" 3
33 1 5 DG H3' 3 91 TYR QD 4.000 . 6.000 5.997 5.697 6.129 0.129 12 0 "[ . 1 . 2 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 219
_Distance_constraint_stats_list.Viol_total 432.683
_Distance_constraint_stats_list.Viol_max 0.325
_Distance_constraint_stats_list.Viol_rms 0.0382
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.0790
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
3 4 ALA 0.444 0.186 18 0 "[ . 1 . 2 .]"
3 8 ALA 0.444 0.186 18 0 "[ . 1 . 2 .]"
3 17 GLN 1.692 0.265 1 0 "[ . 1 . 2 .]"
3 18 LEU 0.049 0.049 5 0 "[ . 1 . 2 .]"
3 19 TRP 0.055 0.035 18 0 "[ . 1 . 2 .]"
3 20 GLN 1.692 0.265 1 0 "[ . 1 . 2 .]"
3 21 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 22 LEU 0.107 0.054 9 0 "[ . 1 . 2 .]"
3 23 LEU 1.109 0.170 16 0 "[ . 1 . 2 .]"
3 24 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 25 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 26 LEU 0.059 0.054 9 0 "[ . 1 . 2 .]"
3 27 THR 1.054 0.170 16 0 "[ . 1 . 2 .]"
3 36 SER 6.219 0.287 4 0 "[ . 1 . 2 .]"
3 44 PHE 0.144 0.058 19 0 "[ . 1 . 2 .]"
3 45 LYS 6.219 0.287 4 0 "[ . 1 . 2 .]"
3 50 ASP 1.520 0.132 2 0 "[ . 1 . 2 .]"
3 51 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 52 VAL 0.000 0.000 8 0 "[ . 1 . 2 .]"
3 53 ALA 0.129 0.104 7 0 "[ . 1 . 2 .]"
3 54 ARG 1.520 0.132 2 0 "[ . 1 . 2 .]"
3 55 ARG 0.448 0.111 19 0 "[ . 1 . 2 .]"
3 56 TRP 0.000 0.000 8 0 "[ . 1 . 2 .]"
3 57 GLY 0.129 0.104 7 0 "[ . 1 . 2 .]"
3 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 59 ARG 0.448 0.111 19 0 "[ . 1 . 2 .]"
3 66 ASN 1.704 0.325 19 0 "[ . 1 . 2 .]"
3 67 TYR 0.740 0.144 5 0 "[ . 1 . 2 .]"
3 68 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 69 LYS 1.704 0.325 19 0 "[ . 1 . 2 .]"
3 70 LEU 0.158 0.044 22 0 "[ . 1 . 2 .]"
3 71 SER 0.740 0.144 5 0 "[ . 1 . 2 .]"
3 72 ARG 0.535 0.141 6 0 "[ . 1 . 2 .]"
3 73 GLY 0.195 0.077 14 0 "[ . 1 . 2 .]"
3 74 LEU 0.158 0.044 22 0 "[ . 1 . 2 .]"
3 75 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 76 TYR 0.535 0.141 6 0 "[ . 1 . 2 .]"
3 77 TYR 0.195 0.077 14 0 "[ . 1 . 2 .]"
3 84 HIS 0.333 0.085 11 0 "[ . 1 . 2 .]"
3 86 THR 1.831 0.206 23 0 "[ . 1 . 2 .]"
3 92 VAL 1.831 0.206 23 0 "[ . 1 . 2 .]"
3 93 TYR 0.144 0.058 19 0 "[ . 1 . 2 .]"
3 94 ARG 0.333 0.085 11 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 4 ALA O 3 8 ALA N 2.800 2.400 3.800 3.097 2.387 3.947 0.147 18 0 "[ . 1 . 2 .]" 4
2 3 4 ALA O 3 8 ALA H 1.800 . 3.000 2.293 1.651 3.186 0.186 18 0 "[ . 1 . 2 .]" 4
3 3 17 GLN OE1 3 20 GLN N 2.800 2.400 3.500 3.483 2.732 3.765 0.265 1 0 "[ . 1 . 2 .]" 4
4 3 17 GLN OE1 3 20 GLN H 1.800 . 2.700 2.571 1.766 2.881 0.181 1 0 "[ . 1 . 2 .]" 4
5 3 18 LEU O 3 22 LEU N 2.800 2.400 3.500 3.106 2.608 3.472 . 0 0 "[ . 1 . 2 .]" 4
6 3 18 LEU O 3 22 LEU H 1.800 . 2.500 2.148 1.659 2.549 0.049 5 0 "[ . 1 . 2 .]" 4
7 3 19 TRP O 3 23 LEU N 2.800 2.400 3.500 2.597 2.418 2.877 . 0 0 "[ . 1 . 2 .]" 4
8 3 19 TRP O 3 23 LEU H 1.800 . 2.500 1.647 1.465 1.938 0.035 18 0 "[ . 1 . 2 .]" 4
9 3 20 GLN O 3 24 GLU N 2.800 2.400 3.500 2.866 2.531 3.120 . 0 0 "[ . 1 . 2 .]" 4
10 3 20 GLN O 3 24 GLU H 1.800 . 2.500 1.943 1.579 2.188 . 0 0 "[ . 1 . 2 .]" 4
11 3 21 PHE O 3 25 LEU N 2.800 2.400 3.500 2.960 2.641 3.248 . 0 0 "[ . 1 . 2 .]" 4
12 3 21 PHE O 3 25 LEU H 1.800 . 2.500 2.017 1.709 2.281 . 0 0 "[ . 1 . 2 .]" 4
13 3 22 LEU O 3 26 LEU N 2.800 2.400 3.500 2.801 2.416 3.425 . 0 0 "[ . 1 . 2 .]" 4
14 3 22 LEU O 3 26 LEU H 1.800 . 2.500 1.942 1.509 2.554 0.054 9 0 "[ . 1 . 2 .]" 4
15 3 23 LEU O 3 27 THR N 2.800 2.400 3.500 3.279 2.827 3.561 0.061 16 0 "[ . 1 . 2 .]" 4
16 3 23 LEU O 3 27 THR H 1.800 . 2.500 2.395 2.062 2.670 0.170 16 0 "[ . 1 . 2 .]" 4
17 3 36 SER O 3 45 LYS N 2.800 2.400 3.500 3.442 3.230 3.616 0.116 16 0 "[ . 1 . 2 .]" 4
18 3 36 SER O 3 45 LYS H 1.800 . 2.500 2.507 2.308 2.635 0.135 16 0 "[ . 1 . 2 .]" 4
19 3 36 SER N 3 45 LYS O 2.800 2.400 3.500 3.520 3.207 3.677 0.177 23 0 "[ . 1 . 2 .]" 4
20 3 36 SER H 3 45 LYS O 1.800 . 2.500 2.638 2.468 2.787 0.287 4 0 "[ . 1 . 2 .]" 4
21 3 44 PHE O 3 93 TYR N 2.800 2.400 3.500 3.097 2.662 3.424 . 0 0 "[ . 1 . 2 .]" 4
22 3 44 PHE O 3 93 TYR H 1.800 . 2.500 2.247 1.797 2.558 0.058 19 0 "[ . 1 . 2 .]" 4
23 3 50 ASP O 3 54 ARG N 2.800 2.400 3.500 3.431 3.004 3.557 0.057 2 0 "[ . 1 . 2 .]" 4
24 3 50 ASP O 3 54 ARG H 1.800 . 2.500 2.504 2.087 2.632 0.132 2 0 "[ . 1 . 2 .]" 4
25 3 51 GLU O 3 55 ARG N 2.800 2.400 3.500 2.864 2.532 3.229 . 0 0 "[ . 1 . 2 .]" 4
26 3 51 GLU O 3 55 ARG H 1.800 . 2.500 1.933 1.600 2.273 . 0 0 "[ . 1 . 2 .]" 4
27 3 52 VAL O 3 56 TRP N 2.800 2.400 3.500 2.759 2.406 2.925 . 0 0 "[ . 1 . 2 .]" 4
28 3 52 VAL O 3 56 TRP H 1.800 . 2.500 1.841 1.500 1.976 0.000 8 0 "[ . 1 . 2 .]" 4
29 3 53 ALA O 3 57 GLY N 2.800 2.400 3.500 3.177 2.832 3.604 0.104 7 0 "[ . 1 . 2 .]" 4
30 3 53 ALA O 3 57 GLY H 1.800 . 2.700 2.262 1.923 2.683 . 0 0 "[ . 1 . 2 .]" 4
31 3 54 ARG O 3 58 LYS N 2.800 2.400 3.500 2.890 2.510 3.280 . 0 0 "[ . 1 . 2 .]" 4
32 3 54 ARG O 3 58 LYS H 1.800 . 2.500 2.074 1.603 2.476 . 0 0 "[ . 1 . 2 .]" 4
33 3 55 ARG O 3 59 ARG H 1.800 . 2.500 2.376 1.997 2.611 0.111 19 0 "[ . 1 . 2 .]" 4
34 3 55 ARG O 3 59 ARG N 2.800 2.400 3.500 3.278 2.902 3.520 0.020 19 0 "[ . 1 . 2 .]" 4
35 3 66 ASN OD1 3 69 LYS N 2.800 2.400 3.500 3.107 2.437 3.644 0.144 17 0 "[ . 1 . 2 .]" 4
36 3 66 ASN OD1 3 69 LYS H 1.800 . 2.500 2.302 1.602 2.825 0.325 19 0 "[ . 1 . 2 .]" 4
37 3 67 TYR O 3 71 SER N 2.800 2.400 3.500 3.390 3.144 3.533 0.033 5 0 "[ . 1 . 2 .]" 4
38 3 67 TYR O 3 71 SER H 1.800 . 2.500 2.473 2.306 2.644 0.144 5 0 "[ . 1 . 2 .]" 4
39 3 68 GLU O 3 72 ARG N 2.800 2.400 3.500 2.943 2.661 3.381 . 0 0 "[ . 1 . 2 .]" 4
40 3 68 GLU O 3 72 ARG H 1.800 . 2.500 1.992 1.687 2.480 . 0 0 "[ . 1 . 2 .]" 4
41 3 69 LYS O 3 73 GLY N 2.800 2.400 3.500 2.783 2.418 3.178 . 0 0 "[ . 1 . 2 .]" 4
42 3 69 LYS O 3 73 GLY H 1.800 . 2.500 1.866 1.516 2.250 . 0 0 "[ . 1 . 2 .]" 4
43 3 70 LEU O 3 74 LEU N 2.800 2.400 4.000 2.506 2.371 2.793 0.029 3 0 "[ . 1 . 2 .]" 4
44 3 70 LEU O 3 74 LEU H 1.800 . 3.000 1.634 1.456 1.961 0.044 22 0 "[ . 1 . 2 .]" 4
45 3 71 SER O 3 75 ARG N 2.800 2.400 4.000 3.090 2.504 3.486 . 0 0 "[ . 1 . 2 .]" 4
46 3 71 SER O 3 75 ARG H 1.800 . 3.000 2.240 1.692 2.585 . 0 0 "[ . 1 . 2 .]" 4
47 3 72 ARG O 3 76 TYR N 2.800 2.400 4.000 3.741 2.842 4.046 0.046 11 0 "[ . 1 . 2 .]" 4
48 3 72 ARG O 3 76 TYR H 1.800 . 3.000 2.827 1.890 3.141 0.141 6 0 "[ . 1 . 2 .]" 4
49 3 73 GLY O 3 77 TYR N 2.800 2.400 4.000 3.210 2.686 3.735 . 0 0 "[ . 1 . 2 .]" 4
50 3 73 GLY O 3 77 TYR H 1.800 . 3.000 2.597 2.129 3.077 0.077 14 0 "[ . 1 . 2 .]" 4
51 3 84 HIS O 3 94 ARG N 2.800 2.400 3.800 3.331 2.728 3.674 . 0 0 "[ . 1 . 2 .]" 4
52 3 84 HIS O 3 94 ARG H 1.800 . 2.800 2.536 1.909 2.885 0.085 11 0 "[ . 1 . 2 .]" 4
53 3 84 HIS N 3 94 ARG O 2.800 2.400 3.500 3.091 2.744 3.351 . 0 0 "[ . 1 . 2 .]" 4
54 3 84 HIS H 3 94 ARG O 1.800 . 2.500 2.246 1.842 2.574 0.074 11 0 "[ . 1 . 2 .]" 4
55 3 86 THR N 3 92 VAL O 2.800 2.400 3.500 3.470 3.341 3.618 0.118 23 0 "[ . 1 . 2 .]" 4
56 3 86 THR H 3 92 VAL O 1.800 . 2.500 2.542 2.380 2.706 0.206 23 0 "[ . 1 . 2 .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 61
_Distance_constraint_stats_list.Viol_count 279
_Distance_constraint_stats_list.Viol_total 291.274
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0418
_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 1 DT 0.132 0.075 17 0 "[ . 1 . 2 .]"
1 2 DC 0.181 0.082 20 0 "[ . 1 . 2 .]"
1 3 DG 0.906 0.126 18 0 "[ . 1 . 2 .]"
1 4 DA 1.075 0.096 11 0 "[ . 1 . 2 .]"
1 5 DG 0.518 0.096 4 0 "[ . 1 . 2 .]"
1 6 DC 1.332 0.157 6 0 "[ . 1 . 2 .]"
1 7 DC 0.226 0.095 21 0 "[ . 1 . 2 .]"
1 8 DG 1.174 0.154 19 0 "[ . 1 . 2 .]"
1 9 DG 1.092 0.101 20 0 "[ . 1 . 2 .]"
1 10 DA 0.763 0.127 23 0 "[ . 1 . 2 .]"
1 11 DA 0.279 0.069 13 0 "[ . 1 . 2 .]"
1 12 DG 0.552 0.101 4 0 "[ . 1 . 2 .]"
1 13 DT 0.315 0.071 1 0 "[ . 1 . 2 .]"
1 14 DT 0.862 0.143 9 0 "[ . 1 . 2 .]"
1 15 DC 1.382 0.167 2 0 "[ . 1 . 2 .]"
1 16 DG 0.153 0.061 5 0 "[ . 1 . 2 .]"
1 17 DA 0.708 0.068 10 0 "[ . 1 . 2 .]"
2 1 DT 0.708 0.068 10 0 "[ . 1 . 2 .]"
2 2 DC 0.153 0.061 5 0 "[ . 1 . 2 .]"
2 3 DG 1.382 0.167 2 0 "[ . 1 . 2 .]"
2 4 DA 0.862 0.143 9 0 "[ . 1 . 2 .]"
2 5 DA 0.315 0.071 1 0 "[ . 1 . 2 .]"
2 6 DC 0.552 0.101 4 0 "[ . 1 . 2 .]"
2 7 DT 0.279 0.069 13 0 "[ . 1 . 2 .]"
2 8 DT 0.763 0.127 23 0 "[ . 1 . 2 .]"
2 9 DC 1.092 0.101 20 0 "[ . 1 . 2 .]"
2 10 DC 1.174 0.154 19 0 "[ . 1 . 2 .]"
2 11 DG 0.226 0.095 21 0 "[ . 1 . 2 .]"
2 12 DG 1.332 0.157 6 0 "[ . 1 . 2 .]"
2 13 DC 0.518 0.096 4 0 "[ . 1 . 2 .]"
2 14 DT 1.075 0.096 11 0 "[ . 1 . 2 .]"
2 15 DC 0.906 0.126 18 0 "[ . 1 . 2 .]"
2 16 DG 0.181 0.082 20 0 "[ . 1 . 2 .]"
2 17 DA 0.132 0.075 17 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DC N3 2 16 DG N1 2.950 2.750 3.150 2.971 2.785 3.074 . 0 0 "[ . 1 . 2 .]" 5
2 1 2 DC N3 2 16 DG H1 1.950 . 2.250 1.993 1.784 2.119 . 0 0 "[ . 1 . 2 .]" 5
3 1 2 DC N4 2 16 DG O6 2.910 2.710 3.110 2.937 2.748 3.183 0.073 23 0 "[ . 1 . 2 .]" 5
4 1 2 DC O2 2 16 DG N2 2.860 2.660 3.060 2.870 2.578 3.085 0.082 20 0 "[ . 1 . 2 .]" 5
5 1 3 DG N1 2 15 DC N3 2.950 2.750 3.150 3.023 2.947 3.148 . 0 0 "[ . 1 . 2 .]" 5
6 1 3 DG H1 2 15 DC N3 1.950 . 2.250 2.071 1.975 2.194 . 0 0 "[ . 1 . 2 .]" 5
7 1 3 DG O6 2 15 DC N4 2.910 2.710 3.110 3.121 3.027 3.236 0.126 18 0 "[ . 1 . 2 .]" 5
8 1 3 DG N2 2 15 DC O2 2.860 2.660 3.060 2.788 2.624 3.029 0.036 23 0 "[ . 1 . 2 .]" 5
9 1 5 DG N1 2 13 DC N3 2.950 2.750 3.150 3.023 2.879 3.202 0.052 8 0 "[ . 1 . 2 .]" 5
10 1 5 DG H1 2 13 DC N3 1.950 . 2.350 2.121 1.951 2.280 . 0 0 "[ . 1 . 2 .]" 5
11 1 5 DG O6 2 13 DC N4 2.910 2.710 3.110 2.975 2.681 3.183 0.073 8 0 "[ . 1 . 2 .]" 5
12 1 5 DG N2 2 13 DC O2 2.860 2.660 3.060 3.002 2.778 3.156 0.096 4 0 "[ . 1 . 2 .]" 5
13 1 6 DC N3 2 12 DG N1 2.950 2.750 3.350 2.992 2.842 3.211 . 0 0 "[ . 1 . 2 .]" 5
14 1 6 DC N3 2 12 DG H1 1.950 . 2.350 2.150 1.939 2.333 . 0 0 "[ . 1 . 2 .]" 5
15 1 6 DC N4 2 12 DG O6 2.910 2.710 3.110 3.130 2.936 3.267 0.157 6 0 "[ . 1 . 2 .]" 5
16 1 6 DC O2 2 12 DG N2 2.860 2.660 3.160 2.736 2.562 3.110 0.098 7 0 "[ . 1 . 2 .]" 5
17 1 7 DC N3 2 11 DG N1 2.950 2.750 6.150 5.114 4.417 5.809 . 0 0 "[ . 1 . 2 .]" 5
18 1 7 DC N3 2 11 DG H1 1.950 . 5.150 4.488 3.608 5.245 0.095 21 0 "[ . 1 . 2 .]" 5
19 1 7 DC N4 2 11 DG O6 2.910 2.710 6.110 5.768 4.912 6.168 0.058 9 0 "[ . 1 . 2 .]" 5
20 1 7 DC O2 2 11 DG N2 2.860 2.660 6.060 4.467 3.227 5.506 . 0 0 "[ . 1 . 2 .]" 5
21 1 8 DG N1 2 10 DC N3 2.950 2.750 3.150 2.951 2.745 3.139 0.005 5 0 "[ . 1 . 2 .]" 5
22 1 8 DG H1 2 10 DC N3 1.950 . 2.350 2.005 1.835 2.254 . 0 0 "[ . 1 . 2 .]" 5
23 1 8 DG O6 2 10 DC N4 2.910 2.710 3.110 3.094 2.705 3.264 0.154 19 0 "[ . 1 . 2 .]" 5
24 1 8 DG N2 2 10 DC O2 2.860 2.660 3.060 2.775 2.581 3.112 0.079 20 0 "[ . 1 . 2 .]" 5
25 1 9 DG N1 2 9 DC N3 2.950 2.750 3.150 2.988 2.775 3.152 0.002 2 0 "[ . 1 . 2 .]" 5
26 1 9 DG H1 2 9 DC N3 1.950 . 2.250 2.027 1.778 2.186 . 0 0 "[ . 1 . 2 .]" 5
27 1 9 DG O6 2 9 DC N4 2.910 2.710 3.110 3.058 2.636 3.211 0.101 20 0 "[ . 1 . 2 .]" 5
28 1 9 DG N2 2 9 DC O2 2.860 2.660 3.060 2.812 2.604 3.078 0.056 18 0 "[ . 1 . 2 .]" 5
29 1 12 DG N1 2 6 DC N3 2.950 2.750 3.250 3.044 2.855 3.249 . 0 0 "[ . 1 . 2 .]" 5
30 1 12 DG H1 2 6 DC N3 1.950 . 2.250 2.078 1.876 2.297 0.047 4 0 "[ . 1 . 2 .]" 5
31 1 12 DG O6 2 6 DC N4 2.910 2.710 3.110 3.039 2.831 3.211 0.101 4 0 "[ . 1 . 2 .]" 5
32 1 12 DG N2 2 6 DC O2 2.860 2.660 3.160 2.936 2.658 3.204 0.044 5 0 "[ . 1 . 2 .]" 5
33 1 15 DC N3 2 3 DG N1 2.950 2.750 3.250 3.005 2.848 3.196 . 0 0 "[ . 1 . 2 .]" 5
34 1 15 DC N3 2 3 DG H1 1.950 . 2.250 2.060 1.870 2.252 0.002 4 0 "[ . 1 . 2 .]" 5
35 1 15 DC N4 2 3 DG O6 2.910 2.710 3.110 3.131 2.919 3.277 0.167 2 0 "[ . 1 . 2 .]" 5
36 1 15 DC O2 2 3 DG N2 2.860 2.660 3.060 2.746 2.588 3.010 0.072 18 0 "[ . 1 . 2 .]" 5
37 1 16 DG N1 2 2 DC N3 2.950 2.750 3.250 3.019 2.936 3.096 . 0 0 "[ . 1 . 2 .]" 5
38 1 16 DG H1 2 2 DC N3 1.950 . 2.250 2.052 1.951 2.146 . 0 0 "[ . 1 . 2 .]" 5
39 1 16 DG O6 2 2 DC N4 2.910 2.710 3.110 2.952 2.764 3.102 . 0 0 "[ . 1 . 2 .]" 5
40 1 16 DG N2 2 2 DC O2 2.860 2.660 3.060 2.951 2.636 3.121 0.061 5 0 "[ . 1 . 2 .]" 5
41 1 1 DT N3 2 17 DA N1 2.820 2.620 3.220 3.094 2.824 3.216 . 0 0 "[ . 1 . 2 .]" 5
42 1 1 DT H3 2 17 DA N1 1.820 . 2.220 2.114 1.849 2.227 0.007 12 0 "[ . 1 . 2 .]" 5
43 1 1 DT O4 2 17 DA N6 2.950 2.750 3.150 3.008 2.790 3.225 0.075 17 0 "[ . 1 . 2 .]" 5
44 1 4 DA N1 2 14 DT N3 2.820 2.620 3.220 3.168 2.939 3.260 0.040 17 0 "[ . 1 . 2 .]" 5
45 1 4 DA N1 2 14 DT H3 1.820 . 2.220 2.200 1.952 2.289 0.069 3 0 "[ . 1 . 2 .]" 5
46 1 4 DA N6 2 14 DT O4 2.950 2.750 3.150 3.135 2.888 3.246 0.096 11 0 "[ . 1 . 2 .]" 5
47 1 10 DA N1 2 8 DT N3 2.820 2.620 3.220 2.967 2.683 3.158 . 0 0 "[ . 1 . 2 .]" 5
48 1 10 DA N1 2 8 DT H3 1.820 . 2.220 1.973 1.708 2.154 . 0 0 "[ . 1 . 2 .]" 5
49 1 10 DA N6 2 8 DT O4 2.950 2.750 3.150 3.155 2.890 3.277 0.127 23 0 "[ . 1 . 2 .]" 5
50 1 11 DA N1 2 7 DT N3 2.820 2.620 3.220 2.826 2.687 3.142 . 0 0 "[ . 1 . 2 .]" 5
51 1 11 DA N1 2 7 DT H3 1.820 . 2.220 1.844 1.719 2.158 . 0 0 "[ . 1 . 2 .]" 5
52 1 11 DA N6 2 7 DT O4 2.950 2.750 3.150 3.093 2.881 3.219 0.069 13 0 "[ . 1 . 2 .]" 5
53 1 13 DT N3 2 5 DA N1 2.820 2.620 3.220 2.996 2.783 3.186 . 0 0 "[ . 1 . 2 .]" 5
54 1 13 DT H3 2 5 DA N1 1.820 . 2.220 2.080 1.829 2.291 0.071 1 0 "[ . 1 . 2 .]" 5
55 1 13 DT O4 2 5 DA N6 2.950 2.750 3.150 3.024 2.729 3.216 0.066 16 0 "[ . 1 . 2 .]" 5
56 1 14 DT N3 2 4 DA N1 2.820 2.620 3.220 2.967 2.762 3.202 . 0 0 "[ . 1 . 2 .]" 5
57 1 14 DT H3 2 4 DA N1 1.820 . 2.220 1.973 1.780 2.195 . 0 0 "[ . 1 . 2 .]" 5
58 1 14 DT O4 2 4 DA N6 2.950 2.750 3.150 3.169 3.054 3.293 0.143 9 0 "[ . 1 . 2 .]" 5
59 1 17 DA N1 2 1 DT N3 2.820 2.620 3.220 3.169 3.024 3.275 0.055 1 0 "[ . 1 . 2 .]" 5
60 1 17 DA N1 2 1 DT H3 1.820 . 2.220 2.198 2.077 2.282 0.062 1 0 "[ . 1 . 2 .]" 5
61 1 17 DA N6 2 1 DT O4 2.950 2.750 3.150 3.127 3.002 3.218 0.068 10 0 "[ . 1 . 2 .]" 5
stop_
save_
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