NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587512 |
2ms9   |
25110 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ms9
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 657
_Distance_constraint_stats_list.Viol_count 463
_Distance_constraint_stats_list.Viol_total 511.816
_Distance_constraint_stats_list.Viol_max 0.884
_Distance_constraint_stats_list.Viol_rms 0.0564
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.1105
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 2.381 0.207 9 0 "[ . 1]"
1 2 DG 1.403 0.162 9 0 "[ . 1]"
1 3 DG 1.438 0.145 6 0 "[ . 1]"
1 4 DT 4.026 0.539 10 1 "[ . +]"
1 5 DG 4.545 0.539 10 1 "[ . +]"
1 6 DG 0.355 0.122 8 0 "[ . 1]"
1 7 DT 0.528 0.173 3 0 "[ . 1]"
1 8 DG 0.515 0.077 3 0 "[ . 1]"
1 9 DG 0.468 0.075 6 0 "[ . 1]"
1 10 DT 0.968 0.140 3 0 "[ . 1]"
1 11 DG 0.625 0.104 7 0 "[ . 1]"
1 12 DG 14.094 0.854 9 9 "[* *-****+*]"
1 13 DT 21.156 0.884 7 9 "[* *-**+***]"
1 14 DT 0.507 0.221 7 0 "[ . 1]"
1 15 DG 2.159 0.117 2 0 "[ . 1]"
1 16 DT 5.682 0.724 4 6 "[ +-* ***]"
1 17 DG 1.076 0.142 9 0 "[ . 1]"
1 18 DG 0.688 0.094 10 0 "[ . 1]"
1 19 DT 0.449 0.153 1 0 "[ . 1]"
1 20 DG 0.208 0.076 9 0 "[ . 1]"
1 21 DG 0.170 0.122 4 0 "[ . 1]"
1 22 DT 1.021 0.150 10 0 "[ . 1]"
1 23 DG 1.099 0.180 5 0 "[ . 1]"
1 24 DG 1.216 0.151 8 0 "[ . 1]"
1 25 DT 1.466 0.180 5 0 "[ . 1]"
1 26 DG 4.025 0.241 8 0 "[ . 1]"
1 27 DT 8.161 0.867 2 5 "[ + . *-**]"
1 28 DT 6.417 0.867 2 5 "[ + . *-**]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT C7 1 2 DG H1 4.000 2.800 5.700 4.622 3.683 5.210 . 0 0 "[ . 1]" 1
2 1 1 DT H1' 1 2 DG H1 5.000 4.000 7.200 4.411 3.916 5.134 0.084 5 0 "[ . 1]" 1
3 1 1 DT H2' 1 2 DG H1 6.000 4.800 7.200 5.643 4.748 6.793 0.052 3 0 "[ . 1]" 1
4 1 1 DT H2'' 1 2 DG H1 6.000 4.800 7.200 5.204 4.782 6.323 0.018 3 0 "[ . 1]" 1
5 1 1 DT H6 1 2 DG H1 5.000 3.800 6.200 4.372 3.830 4.639 . 0 0 "[ . 1]" 1
6 1 2 DG H1 1 3 DG H1 4.000 2.800 5.200 3.939 3.603 4.240 . 0 0 "[ . 1]" 1
7 1 2 DG H1 1 3 DG H2'' 5.000 3.800 6.200 5.828 5.536 6.202 0.002 1 0 "[ . 1]" 1
8 1 2 DG H1 1 3 DG H2' 5.000 3.800 6.200 5.587 4.987 6.104 . 0 0 "[ . 1]" 1
9 1 2 DG H1 1 5 DG H8 5.000 3.800 6.200 5.077 4.789 5.442 . 0 0 "[ . 1]" 1
10 1 3 DG H1 1 5 DG H1' 6.000 4.800 7.200 6.120 5.491 6.491 . 0 0 "[ . 1]" 1
11 1 3 DG H1 1 5 DG H4' 6.000 4.800 7.200 7.201 6.817 7.345 0.145 6 0 "[ . 1]" 1
12 1 3 DG H1 1 5 DG Q5' 6.000 4.800 7.200 5.928 5.381 6.262 . 0 0 "[ . 1]" 1
13 1 3 DG H1 1 5 DG H8 6.000 4.800 7.200 5.139 4.800 5.586 . 0 0 "[ . 1]" 1
14 1 3 DG H1 1 6 DG H8 5.000 3.800 6.200 4.687 4.366 5.023 . 0 0 "[ . 1]" 1
15 1 3 DG H1 1 21 DG H1 3.000 . 5.000 3.641 3.350 3.979 . 0 0 "[ . 1]" 1
16 1 1 DT C7 1 5 DG H1 4.000 2.800 5.700 4.213 3.646 4.915 . 0 0 "[ . 1]" 1
17 1 3 DG H1 1 5 DG H1 6.000 4.800 7.200 4.830 4.740 5.150 0.060 6 0 "[ . 1]" 1
18 1 5 DG H1 1 6 DG H1 3.000 . 5.000 4.370 3.964 4.821 . 0 0 "[ . 1]" 1
19 1 5 DG H1 1 7 DT C7 5.000 3.800 6.700 6.445 4.909 6.873 0.173 3 0 "[ . 1]" 1
20 1 5 DG H1 1 7 DT H1' 5.000 3.800 6.200 5.432 4.509 6.193 . 0 0 "[ . 1]" 1
21 1 5 DG H1 1 7 DT H6 6.000 4.800 7.200 6.251 5.469 6.684 . 0 0 "[ . 1]" 1
22 1 5 DG H1 1 8 DG H8 5.000 3.800 6.200 5.161 4.784 5.498 . 0 0 "[ . 1]" 1
23 1 5 DG H21 1 6 DG Q2' 3.000 . 5.000 3.685 3.170 4.405 . 0 0 "[ . 1]" 1
24 1 5 DG H21 1 7 DT C7 5.000 4.000 7.200 5.606 4.565 5.982 . 0 0 "[ . 1]" 1
25 1 5 DG H21 1 7 DT H1' 3.000 . 5.000 3.586 2.832 4.305 . 0 0 "[ . 1]" 1
26 1 5 DG H21 1 7 DT H6 5.000 4.000 7.200 4.616 3.998 4.917 0.002 6 0 "[ . 1]" 1
27 1 5 DG H21 1 8 DG H8 3.000 . 5.000 3.171 2.805 3.460 . 0 0 "[ . 1]" 1
28 1 5 DG H21 1 6 DG H1 5.000 4.000 7.200 4.526 4.041 5.142 . 0 0 "[ . 1]" 1
29 1 5 DG H22 1 6 DG H1 5.000 4.000 7.200 5.365 4.833 5.977 . 0 0 "[ . 1]" 1
30 1 6 DG H1 1 9 DG H8 5.000 3.800 6.200 5.100 4.866 5.338 . 0 0 "[ . 1]" 1
31 1 1 DT C7 1 8 DG H1 6.000 4.800 7.700 6.499 4.937 7.421 . 0 0 "[ . 1]" 1
32 1 6 DG H1 1 8 DG H1 6.000 4.800 7.200 5.142 4.775 5.426 0.025 6 0 "[ . 1]" 1
33 1 8 DG H1 1 9 DG H1 4.000 2.800 5.200 4.292 3.627 4.968 . 0 0 "[ . 1]" 1
34 1 8 DG H1 1 10 DT C7 6.000 4.800 7.700 7.419 5.620 7.777 0.077 3 0 "[ . 1]" 1
35 1 8 DG H1 1 10 DT H1' 5.000 3.800 6.200 4.247 3.878 5.498 . 0 0 "[ . 1]" 1
36 1 8 DG H1 1 10 DT Q2' 5.000 3.800 6.200 5.411 5.145 5.516 . 0 0 "[ . 1]" 1
37 1 8 DG H1 1 10 DT H6 6.000 4.800 7.200 6.262 5.012 6.666 . 0 0 "[ . 1]" 1
38 1 8 DG H1 1 11 DG H8 5.000 3.800 6.200 4.709 4.290 5.089 . 0 0 "[ . 1]" 1
39 1 8 DG H21 1 10 DT C7 5.000 4.000 7.200 6.741 5.834 7.266 0.066 5 0 "[ . 1]" 1
40 1 8 DG H21 1 10 DT H1' 3.000 . 5.000 2.344 1.958 3.792 0.042 3 0 "[ . 1]" 1
41 1 8 DG H21 1 10 DT Q2' 3.000 . 5.000 3.742 3.150 4.130 . 0 0 "[ . 1]" 1
42 1 8 DG H21 1 10 DT H6 5.000 4.000 7.200 4.938 4.196 5.332 . 0 0 "[ . 1]" 1
43 1 8 DG H21 1 11 DG H8 3.000 . 5.000 2.882 2.630 3.257 . 0 0 "[ . 1]" 1
44 1 8 DG H21 1 9 DG H1 5.000 4.000 7.200 4.484 3.925 5.257 0.075 6 0 "[ . 1]" 1
45 1 8 DG H22 1 9 DG H1 5.000 4.000 7.200 5.274 4.583 6.037 . 0 0 "[ . 1]" 1
46 1 9 DG H1 1 11 DG H8 5.000 4.000 7.200 5.358 5.104 5.721 . 0 0 "[ . 1]" 1
47 1 9 DG H1 1 12 DG H8 5.000 4.000 7.200 4.737 4.484 5.123 . 0 0 "[ . 1]" 1
48 1 1 DT C7 1 11 DG H1 5.000 3.800 6.700 6.430 4.707 6.804 0.104 7 0 "[ . 1]" 1
49 1 1 DT H1' 1 11 DG H1 6.000 4.800 7.200 5.525 4.739 6.764 0.061 9 0 "[ . 1]" 1
50 1 2 DG H8 1 11 DG H1 5.000 3.800 6.200 5.149 4.989 5.280 . 0 0 "[ . 1]" 1
51 1 11 DG H1 1 12 DG H1 4.000 2.800 5.200 3.982 3.711 4.528 . 0 0 "[ . 1]" 1
52 1 11 DG H1 1 12 DG Q2' 5.000 3.800 5.200 4.811 4.553 4.894 . 0 0 "[ . 1]" 1
53 1 11 DG H1 1 13 DT H1' 5.000 3.800 6.200 5.306 4.694 5.938 . 0 0 "[ . 1]" 1
54 1 11 DG H1 1 13 DT H4' 6.000 4.800 7.200 6.559 5.924 7.193 . 0 0 "[ . 1]" 1
55 1 11 DG H1 1 13 DT Q5' 5.000 4.000 7.200 6.219 6.142 6.276 . 0 0 "[ . 1]" 1
56 1 11 DG H1 1 13 DT H6 6.000 4.800 7.200 6.066 5.171 6.563 . 0 0 "[ . 1]" 1
57 1 2 DG H1' 1 12 DG H1 6.000 4.800 7.200 7.104 6.740 7.251 0.051 4 0 "[ . 1]" 1
58 1 3 DG H8 1 12 DG H1 5.000 4.000 7.200 4.922 4.728 5.197 . 0 0 "[ . 1]" 1
59 1 12 DG H1 1 24 DG H1 4.000 2.800 5.200 3.621 3.349 4.035 . 0 0 "[ . 1]" 1
60 1 9 DG H1 1 15 DG H1 3.000 . 5.000 3.498 3.129 3.822 . 0 0 "[ . 1]" 1
61 1 12 DG H8 1 15 DG H1 5.000 3.800 6.200 5.406 5.255 5.664 . 0 0 "[ . 1]" 1
62 1 15 DG H1 1 17 DG H8 5.000 4.000 7.200 5.352 4.895 5.687 . 0 0 "[ . 1]" 1
63 1 15 DG H1 1 18 DG H8 5.000 4.000 7.200 5.137 4.904 5.447 . 0 0 "[ . 1]" 1
64 1 15 DG H1 1 17 DG H1 6.000 4.800 7.200 4.857 4.738 5.088 0.062 1 0 "[ . 1]" 1
65 1 17 DG H1 1 17 DG H1' 6.000 4.800 7.200 5.843 5.808 5.878 . 0 0 "[ . 1]" 1
66 1 17 DG H1 1 18 DG H1 4.000 2.800 5.200 4.099 3.889 4.323 . 0 0 "[ . 1]" 1
67 1 17 DG H1 1 19 DT C7 5.000 3.800 6.700 6.213 4.216 6.733 0.033 5 0 "[ . 1]" 1
68 1 17 DG H1 1 19 DT H1' 5.000 3.800 6.200 5.517 4.814 6.046 . 0 0 "[ . 1]" 1
69 1 17 DG H1 1 19 DT H6 6.000 4.800 7.200 5.996 4.725 6.558 0.075 1 0 "[ . 1]" 1
70 1 17 DG H1 1 20 DG H8 5.000 4.000 7.200 5.177 5.002 5.371 . 0 0 "[ . 1]" 1
71 1 17 DG H21 1 19 DT C7 5.000 4.000 7.200 5.525 4.451 6.413 . 0 0 "[ . 1]" 1
72 1 17 DG H21 1 19 DT H1' 3.000 . 5.000 3.621 2.912 4.347 . 0 0 "[ . 1]" 1
73 1 17 DG H21 1 19 DT H6 5.000 4.000 7.200 4.489 3.907 4.895 0.093 9 0 "[ . 1]" 1
74 1 17 DG H21 1 20 DG H8 3.000 . 5.000 3.213 2.983 3.415 . 0 0 "[ . 1]" 1
75 1 17 DG H21 1 18 DG H1 5.000 4.000 7.200 4.225 3.934 4.436 0.066 1 0 "[ . 1]" 1
76 1 17 DG H22 1 18 DG H1 5.000 4.000 7.200 5.047 4.594 5.371 . 0 0 "[ . 1]" 1
77 1 18 DG H1 1 21 DG H8 5.000 3.800 6.200 5.067 4.817 5.224 . 0 0 "[ . 1]" 1
78 1 20 DG H1 1 21 DG H1 4.000 2.800 5.200 3.905 3.606 4.487 . 0 0 "[ . 1]" 1
79 1 20 DG H1 1 22 DT C7 5.000 4.000 7.200 6.243 4.670 7.276 0.076 9 0 "[ . 1]" 1
80 1 20 DG H1 1 22 DT H1' 5.000 4.000 7.200 5.367 4.363 6.926 . 0 0 "[ . 1]" 1
81 1 20 DG H1 1 23 DG H8 5.000 4.000 7.200 4.931 4.580 5.176 . 0 0 "[ . 1]" 1
82 1 20 DG H21 1 22 DT C7 5.000 4.000 7.200 5.921 5.210 6.521 . 0 0 "[ . 1]" 1
83 1 20 DG H21 1 22 DT H1' 3.000 . 5.000 3.577 2.387 4.858 . 0 0 "[ . 1]" 1
84 1 20 DG H21 1 22 DT H6 5.000 4.000 7.200 4.521 3.976 5.451 0.024 7 0 "[ . 1]" 1
85 1 20 DG H21 1 23 DG H8 3.000 . 5.000 3.065 2.757 3.317 . 0 0 "[ . 1]" 1
86 1 6 DG H1' 1 21 DG H1 6.000 4.800 7.200 6.844 6.387 7.046 . 0 0 "[ . 1]" 1
87 1 20 DG H21 1 21 DG H1 3.000 . 5.000 3.875 3.361 4.982 . 0 0 "[ . 1]" 1
88 1 21 DG H1 1 21 DG H1' 6.000 4.800 7.200 6.012 5.872 6.576 . 0 0 "[ . 1]" 1
89 1 21 DG H1 1 23 DG H8 5.000 4.000 7.200 5.302 5.073 5.867 . 0 0 "[ . 1]" 1
90 1 21 DG H1 1 24 DG H8 5.000 4.000 7.200 5.195 4.940 5.358 . 0 0 "[ . 1]" 1
91 1 23 DG H1 1 27 DT C7 6.000 4.800 7.700 5.648 4.812 6.715 . 0 0 "[ . 1]" 1
92 1 23 DG H1 1 24 DG H1 3.000 . 5.000 3.738 3.406 3.841 . 0 0 "[ . 1]" 1
93 1 23 DG H1 1 25 DT C7 5.000 4.000 7.200 6.934 5.716 7.230 0.030 3 0 "[ . 1]" 1
94 1 23 DG H1 1 25 DT H1' 5.000 3.800 6.200 5.037 4.683 5.565 . 0 0 "[ . 1]" 1
95 1 23 DG H1 1 26 DG H8 5.000 4.000 7.200 5.200 4.801 5.772 . 0 0 "[ . 1]" 1
96 1 23 DG H1 1 23 DG H1' 6.000 4.800 7.200 5.857 5.807 5.894 . 0 0 "[ . 1]" 1
97 1 15 DG H8 1 24 DG H1 5.000 4.000 8.000 5.024 4.742 5.185 . 0 0 "[ . 1]" 1
98 1 23 DG H21 1 24 DG H1 5.000 4.000 7.200 4.033 3.932 4.133 0.068 8 0 "[ . 1]" 1
99 1 23 DG H22 1 24 DG H1 5.000 4.000 7.200 4.912 4.705 5.095 . 0 0 "[ . 1]" 1
100 1 26 DG H1 1 27 DT C7 5.000 4.000 7.200 5.352 3.999 6.245 0.001 10 0 "[ . 1]" 1
101 1 26 DG H1 1 28 DT C7 5.000 4.000 7.200 7.312 7.210 7.441 0.241 8 0 "[ . 1]" 1
102 1 15 DG H1 1 26 DG H1 4.000 2.800 5.200 4.265 3.732 4.772 . 0 0 "[ . 1]" 1
103 1 15 DG H1' 1 26 DG H1 6.000 4.800 7.200 6.587 5.928 7.151 . 0 0 "[ . 1]" 1
104 1 15 DG H2'' 1 26 DG H1 5.000 3.800 6.200 5.675 5.042 6.158 . 0 0 "[ . 1]" 1
105 1 15 DG H2' 1 26 DG H1 5.000 3.800 6.200 5.804 5.296 6.242 0.042 6 0 "[ . 1]" 1
106 1 16 DT H1' 1 26 DG H1 6.000 4.800 7.200 6.313 4.774 7.109 0.026 2 0 "[ . 1]" 1
107 1 17 DG H8 1 26 DG H1 5.000 3.800 6.200 5.041 4.708 5.519 . 0 0 "[ . 1]" 1
108 1 1 DT C7 1 1 DT H1' 6.000 4.500 8.000 5.643 5.549 5.792 . 0 0 "[ . 1]" 1
109 1 1 DT H1' 1 1 DT H2' 2.900 . 4.000 2.993 2.922 3.036 . 0 0 "[ . 1]" 1
110 1 1 DT H1' 1 1 DT H2'' 2.900 . 4.000 2.207 1.909 2.555 . 0 0 "[ . 1]" 1
111 1 1 DT H1' 1 1 DT H3' 4.000 2.500 5.500 3.849 3.749 3.905 . 0 0 "[ . 1]" 1
112 1 1 DT H1' 1 1 DT H4' 2.900 . 4.000 2.810 2.593 2.980 . 0 0 "[ . 1]" 1
113 1 1 DT H1' 1 1 DT H5'' 5.000 3.500 6.500 4.821 4.690 4.935 . 0 0 "[ . 1]" 1
114 1 1 DT H1' 1 1 DT H5' 5.000 3.500 6.500 4.547 4.352 4.941 . 0 0 "[ . 1]" 1
115 1 1 DT H1' 1 2 DG H4' 6.000 4.500 7.500 5.602 4.470 6.107 0.030 6 0 "[ . 1]" 1
116 1 1 DT H1' 1 2 DG H5'' 5.000 3.500 6.500 5.188 3.455 6.522 0.045 2 0 "[ . 1]" 1
117 1 1 DT H1' 1 2 DG H5' 5.000 3.500 6.500 5.155 4.545 5.630 . 0 0 "[ . 1]" 1
118 1 1 DT C7 1 1 DT H2' 5.000 3.500 7.000 4.790 4.309 5.738 . 0 0 "[ . 1]" 1
119 1 1 DT C7 1 1 DT H2'' 6.000 4.500 8.000 5.706 5.089 6.589 . 0 0 "[ . 1]" 1
120 1 1 DT H2' 1 1 DT H2'' 2.900 . 4.000 1.792 1.790 1.795 0.010 9 0 "[ . 1]" 1
121 1 1 DT C7 1 1 DT H3' 5.000 3.500 7.000 6.500 5.636 7.111 0.111 5 0 "[ . 1]" 1
122 1 1 DT H2'' 1 1 DT H3' 2.900 . 4.000 2.962 2.562 3.187 . 0 0 "[ . 1]" 1
123 1 1 DT H2' 1 1 DT H3' 2.900 . 4.000 2.310 2.284 2.347 . 0 0 "[ . 1]" 1
124 1 1 DT H3' 1 1 DT H5'' 2.900 . 4.000 2.746 2.337 3.592 . 0 0 "[ . 1]" 1
125 1 1 DT H3' 1 1 DT H5' 2.900 . 4.000 3.531 2.907 3.707 . 0 0 "[ . 1]" 1
126 1 1 DT H2'' 1 1 DT H4' 4.000 2.500 5.500 3.576 3.087 3.892 . 0 0 "[ . 1]" 1
127 1 1 DT H2' 1 1 DT H4' 4.000 2.500 5.500 3.850 3.790 3.891 . 0 0 "[ . 1]" 1
128 1 1 DT H4' 1 1 DT H5'' 2.900 . 4.000 2.505 2.332 3.034 . 0 0 "[ . 1]" 1
129 1 1 DT H4' 1 1 DT H5' 2.900 . 4.000 2.515 2.415 3.031 . 0 0 "[ . 1]" 1
130 1 1 DT H2'' 1 1 DT H5'' 5.000 3.500 6.500 5.000 4.787 5.420 . 0 0 "[ . 1]" 1
131 1 1 DT H2' 1 1 DT H5'' 5.000 3.500 6.500 4.478 4.114 4.983 . 0 0 "[ . 1]" 1
132 1 1 DT H2'' 1 1 DT H5' 5.000 3.500 6.500 5.220 4.662 5.399 . 0 0 "[ . 1]" 1
133 1 1 DT H2' 1 1 DT H5' 5.000 3.500 6.500 4.649 3.410 5.176 0.090 8 0 "[ . 1]" 1
134 1 1 DT H5' 1 1 DT H5'' 2.900 . 4.000 1.776 1.774 1.777 0.026 2 0 "[ . 1]" 1
135 1 1 DT C7 1 1 DT H6 2.900 . 4.500 2.652 2.640 2.659 . 0 0 "[ . 1]" 1
136 1 1 DT H1' 1 1 DT H6 4.000 2.500 5.500 3.477 3.338 3.688 . 0 0 "[ . 1]" 1
137 1 1 DT H2' 1 1 DT H6 2.900 . 4.000 2.479 1.802 3.941 . 0 0 "[ . 1]" 1
138 1 1 DT H2'' 1 1 DT H6 4.000 2.500 5.500 3.344 2.469 4.489 0.031 8 0 "[ . 1]" 1
139 1 1 DT H3' 1 1 DT H6 4.000 2.500 5.500 4.043 3.104 4.767 . 0 0 "[ . 1]" 1
140 1 1 DT H4' 1 1 DT H6 5.000 3.500 6.500 4.826 4.095 5.368 . 0 0 "[ . 1]" 1
141 1 1 DT H5'' 1 1 DT H6 5.000 3.500 6.500 5.467 3.695 6.214 . 0 0 "[ . 1]" 1
142 1 1 DT H5' 1 1 DT H6 5.000 3.500 6.500 5.171 3.666 6.120 . 0 0 "[ . 1]" 1
143 1 2 DG H1' 1 2 DG H2'' 2.900 . 4.000 2.213 2.142 2.317 . 0 0 "[ . 1]" 1
144 1 2 DG H1' 1 2 DG H2' 4.000 2.500 5.500 3.023 3.012 3.030 . 0 0 "[ . 1]" 1
145 1 2 DG H1' 1 2 DG H3' 4.000 2.500 5.500 3.793 3.724 3.852 . 0 0 "[ . 1]" 1
146 1 2 DG H1' 1 2 DG H4' 2.900 . 4.000 2.658 2.582 2.748 . 0 0 "[ . 1]" 1
147 1 2 DG H1' 1 3 DG H2'' 6.000 4.500 7.500 6.778 6.611 7.054 . 0 0 "[ . 1]" 1
148 1 2 DG H1' 1 3 DG H2' 5.000 3.500 6.500 5.022 4.840 5.348 . 0 0 "[ . 1]" 1
149 1 2 DG H1' 1 3 DG H3' 6.000 4.500 7.500 6.005 5.462 6.699 . 0 0 "[ . 1]" 1
150 1 2 DG H1' 1 13 DT H3' 6.000 4.500 7.500 5.802 5.247 7.093 . 0 0 "[ . 1]" 1
151 1 2 DG H1' 1 13 DT H4' 5.000 3.500 6.500 3.977 3.522 4.499 . 0 0 "[ . 1]" 1
152 1 2 DG H1' 1 13 DT Q5' 6.000 4.500 7.500 5.482 5.023 6.030 . 0 0 "[ . 1]" 1
153 1 2 DG H1' 1 14 DT H4' 6.000 4.500 7.500 5.917 4.731 6.911 . 0 0 "[ . 1]" 1
154 1 2 DG H1' 1 14 DT H5' 5.000 3.500 6.500 4.735 3.771 6.182 . 0 0 "[ . 1]" 1
155 1 2 DG H1' 1 14 DT H5'' 5.000 3.500 6.500 4.676 3.487 6.521 0.021 3 0 "[ . 1]" 1
156 1 2 DG H2' 1 2 DG H2'' 2.900 . 4.000 1.793 1.790 1.797 0.010 8 0 "[ . 1]" 1
157 1 2 DG H2' 1 3 DG H2' 2.900 . 4.000 2.183 2.008 2.510 . 0 0 "[ . 1]" 1
158 1 2 DG H2' 1 3 DG H2'' 4.000 2.500 5.500 3.874 3.677 4.092 . 0 0 "[ . 1]" 1
159 1 2 DG H2'' 1 3 DG H2' 4.000 3.000 7.000 3.229 2.965 3.638 0.035 7 0 "[ . 1]" 1
160 1 2 DG H2'' 1 3 DG H2'' 4.000 3.000 7.000 4.973 4.670 5.407 . 0 0 "[ . 1]" 1
161 1 1 DT H4' 1 2 DG H3' 6.000 4.500 7.500 6.221 5.265 7.160 . 0 0 "[ . 1]" 1
162 1 2 DG H2'' 1 2 DG H3' 2.900 . 4.000 3.011 2.923 3.084 . 0 0 "[ . 1]" 1
163 1 2 DG H2' 1 2 DG H3' 2.900 . 4.000 2.315 2.284 2.340 . 0 0 "[ . 1]" 1
164 1 2 DG H3' 1 2 DG H5'' 2.900 . 4.000 2.550 2.223 2.675 . 0 0 "[ . 1]" 1
165 1 2 DG H3' 1 2 DG H5' 2.900 . 4.000 3.275 2.509 3.710 . 0 0 "[ . 1]" 1
166 1 2 DG H3' 1 3 DG H2'' 5.000 3.500 6.500 4.517 3.856 5.032 . 0 0 "[ . 1]" 1
167 1 2 DG H3' 1 3 DG H2' 4.000 2.500 5.500 3.080 2.442 3.712 0.058 6 0 "[ . 1]" 1
168 1 2 DG H3' 1 4 DT C7 6.000 4.500 8.000 7.867 7.181 8.162 0.162 9 0 "[ . 1]" 1
169 1 1 DT H4' 1 2 DG H4' 6.000 4.500 7.500 5.112 4.498 6.055 0.002 2 0 "[ . 1]" 1
170 1 2 DG H2'' 1 2 DG H4' 4.000 2.500 5.500 3.749 3.657 3.815 . 0 0 "[ . 1]" 1
171 1 2 DG H2' 1 2 DG H4' 4.000 2.500 5.500 3.856 3.829 3.879 . 0 0 "[ . 1]" 1
172 1 1 DT H4' 1 2 DG H5' 5.000 3.500 6.500 4.384 3.488 5.917 0.012 1 0 "[ . 1]" 1
173 1 1 DT H4' 1 2 DG H5'' 5.000 3.500 6.500 4.984 3.764 5.966 . 0 0 "[ . 1]" 1
174 1 1 DT H1' 1 2 DG H8 5.000 3.500 6.500 5.137 4.623 5.636 . 0 0 "[ . 1]" 1
175 1 1 DT H2'' 1 2 DG H8 6.000 4.500 7.500 6.673 5.170 7.530 0.030 8 0 "[ . 1]" 1
176 1 1 DT H4' 1 2 DG H8 6.000 4.500 7.500 5.583 4.467 6.509 0.033 6 0 "[ . 1]" 1
177 1 2 DG H1' 1 2 DG H8 2.900 . 4.000 2.606 2.569 2.647 . 0 0 "[ . 1]" 1
178 1 2 DG H2'' 1 2 DG H8 4.000 2.500 5.500 4.080 3.763 4.422 . 0 0 "[ . 1]" 1
179 1 2 DG H2' 1 2 DG H8 5.000 3.500 6.500 4.635 4.411 4.754 . 0 0 "[ . 1]" 1
180 1 2 DG H3' 1 2 DG H8 5.000 3.500 6.500 6.097 6.046 6.125 . 0 0 "[ . 1]" 1
181 1 2 DG H4' 1 2 DG H8 5.000 3.500 6.500 4.893 4.651 5.131 . 0 0 "[ . 1]" 1
182 1 2 DG H8 1 3 DG H2' 6.000 4.500 7.500 6.569 6.318 7.167 . 0 0 "[ . 1]" 1
183 1 2 DG H8 1 3 DG H8 5.000 3.500 6.500 4.913 4.447 5.522 . 0 0 "[ . 1]" 1
184 1 2 DG H8 1 13 DT H1' 2.900 . 4.000 2.594 2.016 3.320 . 0 0 "[ . 1]" 1
185 1 2 DG H8 1 13 DT H3' 5.000 3.500 6.500 4.491 3.972 5.174 . 0 0 "[ . 1]" 1
186 1 2 DG H8 1 13 DT H4' 2.900 . 4.000 2.381 2.039 2.857 . 0 0 "[ . 1]" 1
187 1 2 DG H8 1 13 DT Q5' 4.000 2.500 5.500 3.816 3.454 4.297 . 0 0 "[ . 1]" 1
188 1 2 DG H8 1 14 DT H3' 5.000 3.500 6.500 5.619 4.762 6.549 0.049 4 0 "[ . 1]" 1
189 1 2 DG H8 1 14 DT H4' 6.000 4.500 7.500 6.372 5.291 7.415 . 0 0 "[ . 1]" 1
190 1 2 DG H8 1 14 DT H5' 5.000 3.500 6.500 5.192 3.957 6.104 . 0 0 "[ . 1]" 1
191 1 2 DG H8 1 14 DT H5'' 5.000 3.500 6.500 4.721 3.739 6.141 . 0 0 "[ . 1]" 1
192 1 2 DG H2' 1 3 DG H1' 6.000 4.500 7.500 4.848 4.539 5.087 . 0 0 "[ . 1]" 1
193 1 2 DG H2'' 1 3 DG H1' 6.000 4.500 7.500 5.257 4.759 5.689 . 0 0 "[ . 1]" 1
194 1 2 DG H3' 1 3 DG H1' 5.000 3.500 6.500 5.872 5.249 6.317 . 0 0 "[ . 1]" 1
195 1 3 DG H1' 1 3 DG H2'' 2.900 . 4.000 2.378 2.158 2.593 . 0 0 "[ . 1]" 1
196 1 3 DG H1' 1 3 DG H2' 4.000 2.500 5.500 3.022 3.010 3.032 . 0 0 "[ . 1]" 1
197 1 3 DG H1' 1 3 DG H3' 4.000 2.500 5.500 3.799 3.758 3.865 . 0 0 "[ . 1]" 1
198 1 3 DG H1' 1 3 DG H4' 2.900 . 4.000 2.830 2.575 3.007 . 0 0 "[ . 1]" 1
199 1 3 DG H1' 1 3 DG Q5' 4.000 2.500 5.500 4.155 4.058 4.221 . 0 0 "[ . 1]" 1
200 1 3 DG H1' 1 24 DG H2'' 5.000 3.500 6.500 4.206 3.933 4.435 . 0 0 "[ . 1]" 1
201 1 3 DG H1' 1 24 DG H2' 5.000 3.500 6.500 4.727 4.549 5.242 . 0 0 "[ . 1]" 1
202 1 3 DG H1' 1 24 DG H3' 5.000 3.500 6.500 5.160 4.831 5.916 . 0 0 "[ . 1]" 1
203 1 3 DG H1' 1 24 DG H4' 4.000 2.500 5.500 3.167 2.895 3.804 . 0 0 "[ . 1]" 1
204 1 3 DG H2'' 1 4 DT C7 5.000 3.500 7.000 6.954 6.822 7.055 0.055 5 0 "[ . 1]" 1
205 1 2 DG H2'' 1 3 DG H3' 5.000 3.500 6.500 4.206 3.529 4.770 . 0 0 "[ . 1]" 1
206 1 2 DG H2' 1 3 DG H3' 4.000 2.500 5.500 3.674 3.016 4.369 . 0 0 "[ . 1]" 1
207 1 2 DG H3' 1 3 DG H3' 4.000 2.500 5.500 3.020 2.387 3.613 0.113 2 0 "[ . 1]" 1
208 1 2 DG H4' 1 3 DG H3' 4.000 3.000 7.000 5.811 5.270 6.314 . 0 0 "[ . 1]" 1
209 1 3 DG H2'' 1 3 DG H3' 2.900 . 4.000 2.808 2.479 3.019 . 0 0 "[ . 1]" 1
210 1 3 DG H2' 1 3 DG H3' 2.900 . 4.000 2.330 2.286 2.355 . 0 0 "[ . 1]" 1
211 1 3 DG H3' 1 3 DG H4' 4.000 2.500 5.500 2.895 2.838 2.973 . 0 0 "[ . 1]" 1
212 1 3 DG H3' 1 4 DT C7 5.000 3.500 7.000 5.858 5.438 6.099 . 0 0 "[ . 1]" 1
213 1 3 DG H3' 1 24 DG H4' 4.000 3.000 7.000 4.703 4.303 5.760 . 0 0 "[ . 1]" 1
214 1 3 DG H2'' 1 3 DG H4' 4.000 2.500 5.500 3.834 3.569 3.989 . 0 0 "[ . 1]" 1
215 1 3 DG H2' 1 3 DG H4' 4.000 2.500 5.500 3.856 3.834 3.909 . 0 0 "[ . 1]" 1
216 1 3 DG H4' 1 24 DG H2' 4.000 3.000 7.000 5.198 4.988 5.727 . 0 0 "[ . 1]" 1
217 1 3 DG H4' 1 24 DG H2'' 5.000 3.500 6.500 4.319 4.040 4.828 . 0 0 "[ . 1]" 1
218 1 3 DG H4' 1 24 DG H4' 2.900 . 4.000 2.736 1.995 3.225 . 0 0 "[ . 1]" 1
219 1 3 DG H4' 1 24 DG H5' 5.000 3.500 6.500 5.074 4.136 5.672 . 0 0 "[ . 1]" 1
220 1 3 DG H2'' 1 3 DG Q5' 4.000 2.500 5.500 4.595 4.453 4.668 . 0 0 "[ . 1]" 1
221 1 2 DG H1' 1 3 DG H8 4.000 2.500 5.500 4.141 3.713 4.845 . 0 0 "[ . 1]" 1
222 1 2 DG H2'' 1 3 DG H8 2.900 . 4.000 2.394 2.058 2.977 . 0 0 "[ . 1]" 1
223 1 2 DG H2' 1 3 DG H8 4.000 2.500 5.500 2.938 2.451 3.461 0.049 8 0 "[ . 1]" 1
224 1 2 DG H3' 1 3 DG H8 4.000 2.500 5.500 4.774 4.221 5.274 . 0 0 "[ . 1]" 1
225 1 3 DG H1' 1 3 DG H8 4.000 2.500 5.500 3.834 3.781 3.874 . 0 0 "[ . 1]" 1
226 1 3 DG H2' 1 3 DG H8 4.000 2.500 5.500 3.209 2.930 3.449 . 0 0 "[ . 1]" 1
227 1 3 DG H2'' 1 3 DG H8 5.000 3.500 6.500 4.459 4.225 4.742 . 0 0 "[ . 1]" 1
228 1 3 DG H3' 1 3 DG H8 4.000 2.500 5.500 4.729 4.352 4.919 . 0 0 "[ . 1]" 1
229 1 3 DG H4' 1 3 DG H8 5.000 3.500 6.500 4.691 4.632 4.721 . 0 0 "[ . 1]" 1
230 1 3 DG Q5' 1 3 DG H8 5.000 3.500 6.500 4.015 3.880 4.370 . 0 0 "[ . 1]" 1
231 1 3 DG H8 1 24 DG H1' 5.000 3.500 6.500 4.353 3.493 4.968 0.007 9 0 "[ . 1]" 1
232 1 4 DT C7 1 4 DT H1' 6.000 4.500 8.000 5.831 5.808 5.850 . 0 0 "[ . 1]" 1
233 1 4 DT H1' 1 4 DT H2'' 2.900 . 4.000 2.399 2.223 2.563 . 0 0 "[ . 1]" 1
234 1 4 DT H1' 1 4 DT H2' 4.000 2.500 5.500 3.013 2.996 3.036 . 0 0 "[ . 1]" 1
235 1 4 DT H1' 1 4 DT H3' 4.000 2.500 5.500 3.848 3.722 3.912 . 0 0 "[ . 1]" 1
236 1 4 DT H1' 1 4 DT H4' 2.900 . 4.000 3.273 2.918 3.574 . 0 0 "[ . 1]" 1
237 1 4 DT H1' 1 4 DT Q5' 5.000 3.500 6.500 4.266 4.185 4.346 . 0 0 "[ . 1]" 1
238 1 4 DT H1' 1 5 DG Q5' 6.000 4.500 7.500 4.571 3.961 5.051 0.539 10 1 "[ . +]" 1
239 1 4 DT H1' 1 24 DG H5' 6.000 4.500 7.500 6.095 4.445 6.814 0.055 9 0 "[ . 1]" 1
240 1 4 DT C7 1 4 DT H2' 5.000 3.500 7.000 4.699 4.535 4.887 . 0 0 "[ . 1]" 1
241 1 4 DT C7 1 4 DT H2'' 5.000 3.500 7.000 6.079 5.854 6.299 . 0 0 "[ . 1]" 1
242 1 4 DT H2'' 1 4 DT H3' 2.900 . 4.000 2.688 2.377 2.966 . 0 0 "[ . 1]" 1
243 1 4 DT H2' 1 4 DT H3' 2.900 . 4.000 2.346 2.267 2.379 . 0 0 "[ . 1]" 1
244 1 4 DT H2'' 1 4 DT H4' 2.900 . 4.000 3.979 3.722 4.131 0.131 2 0 "[ . 1]" 1
245 1 4 DT H2' 1 4 DT H4' 4.000 2.500 5.500 3.825 3.773 3.909 . 0 0 "[ . 1]" 1
246 1 3 DG H1' 1 4 DT H6 6.000 4.500 7.500 6.307 5.661 6.666 . 0 0 "[ . 1]" 1
247 1 3 DG H2'' 1 4 DT H6 6.000 4.500 7.500 5.218 5.018 5.433 . 0 0 "[ . 1]" 1
248 1 3 DG H3' 1 4 DT H6 6.000 4.500 7.500 5.165 4.773 5.459 . 0 0 "[ . 1]" 1
249 1 3 DG H4' 1 4 DT H6 6.000 4.500 7.500 5.901 4.362 6.542 0.138 9 0 "[ . 1]" 1
250 1 4 DT C7 1 4 DT H6 2.900 . 4.500 2.662 2.650 2.670 . 0 0 "[ . 1]" 1
251 1 4 DT H1' 1 4 DT H6 4.000 2.500 5.500 3.719 3.677 3.742 . 0 0 "[ . 1]" 1
252 1 4 DT H2'' 1 4 DT H6 2.900 . 4.000 3.882 3.611 4.051 0.051 6 0 "[ . 1]" 1
253 1 4 DT H2' 1 4 DT H6 2.900 . 4.000 2.400 2.151 2.652 . 0 0 "[ . 1]" 1
254 1 4 DT H3' 1 4 DT H6 4.000 2.500 5.500 4.061 3.703 4.481 . 0 0 "[ . 1]" 1
255 1 4 DT H4' 1 4 DT H6 5.000 3.500 6.500 4.345 4.055 4.565 . 0 0 "[ . 1]" 1
256 1 4 DT Q5' 1 4 DT H6 4.000 2.500 5.500 3.357 2.784 3.904 . 0 0 "[ . 1]" 1
257 1 4 DT H6 1 24 DG H4' 4.000 2.500 5.500 5.132 4.599 5.550 0.050 5 0 "[ . 1]" 1
258 1 4 DT H6 1 24 DG H5' 5.000 3.500 6.500 5.203 4.588 6.008 . 0 0 "[ . 1]" 1
259 1 4 DT H6 1 24 DG H5'' 5.000 3.500 6.500 5.677 5.179 6.036 . 0 0 "[ . 1]" 1
260 1 5 DG H1' 1 5 DG H2'' 2.900 . 4.000 2.412 2.289 2.489 . 0 0 "[ . 1]" 1
261 1 5 DG H1' 1 5 DG H2' 2.900 . 4.000 3.022 2.993 3.036 . 0 0 "[ . 1]" 1
262 1 5 DG H1' 1 5 DG H3' 4.000 2.500 5.500 3.806 3.736 3.940 . 0 0 "[ . 1]" 1
263 1 5 DG H1' 1 5 DG H4' 2.900 . 4.000 3.352 3.088 3.650 . 0 0 "[ . 1]" 1
264 1 5 DG H1' 1 6 DG H3' 4.000 3.000 7.000 3.989 3.098 4.645 . 0 0 "[ . 1]" 1
265 1 5 DG H1' 1 7 DT C7 4.000 3.000 7.000 3.412 2.927 4.694 0.073 5 0 "[ . 1]" 1
266 1 5 DG H1' 1 7 DT H6 5.000 3.500 6.500 4.841 4.528 5.328 . 0 0 "[ . 1]" 1
267 1 5 DG H2'' 1 5 DG H3' 2.900 . 4.000 2.690 2.609 2.840 . 0 0 "[ . 1]" 1
268 1 5 DG H2' 1 5 DG H3' 2.900 . 4.000 2.383 2.368 2.396 . 0 0 "[ . 1]" 1
269 1 5 DG H3' 1 5 DG H4' 2.900 . 4.000 2.749 2.694 2.810 . 0 0 "[ . 1]" 1
270 1 5 DG H3' 1 5 DG Q5' 4.000 2.500 5.500 2.567 2.238 2.866 0.262 10 0 "[ . 1]" 1
271 1 5 DG H4' 1 5 DG Q5' 2.900 . 4.000 2.315 2.177 2.449 . 0 0 "[ . 1]" 1
272 1 4 DT H2' 1 5 DG Q5' 4.000 2.500 5.500 4.805 4.332 5.096 . 0 0 "[ . 1]" 1
273 1 4 DT H2'' 1 5 DG Q5' 4.000 2.500 5.500 4.155 3.240 4.881 . 0 0 "[ . 1]" 1
274 1 1 DT C7 1 5 DG H8 6.000 4.500 8.000 6.476 5.328 7.783 . 0 0 "[ . 1]" 1
275 1 4 DT H1' 1 5 DG H8 5.000 3.500 6.500 6.420 5.904 6.714 0.214 4 0 "[ . 1]" 1
276 1 4 DT H3' 1 5 DG H8 5.000 3.500 6.500 4.750 3.705 6.100 . 0 0 "[ . 1]" 1
277 1 4 DT H4' 1 5 DG H8 4.000 2.500 5.500 3.763 2.813 5.487 . 0 0 "[ . 1]" 1
278 1 4 DT Q5' 1 5 DG H8 5.000 3.500 6.500 3.776 3.179 5.469 0.321 7 0 "[ . 1]" 1
279 1 5 DG H1' 1 5 DG H8 4.000 2.500 5.500 3.912 3.873 3.943 . 0 0 "[ . 1]" 1
280 1 5 DG H2' 1 5 DG H8 2.900 . 4.000 2.442 2.161 2.707 . 0 0 "[ . 1]" 1
281 1 5 DG H2'' 1 5 DG H8 4.000 2.500 5.500 3.854 3.497 4.133 . 0 0 "[ . 1]" 1
282 1 5 DG H3' 1 5 DG H8 4.000 2.500 5.500 4.478 4.154 4.709 . 0 0 "[ . 1]" 1
283 1 5 DG H4' 1 5 DG H8 5.000 3.500 6.500 4.828 4.559 5.142 . 0 0 "[ . 1]" 1
284 1 5 DG Q5' 1 5 DG H8 4.000 2.500 5.500 3.071 2.531 3.391 . 0 0 "[ . 1]" 1
285 1 5 DG H8 1 6 DG H8 5.000 3.500 6.500 4.844 4.348 5.429 . 0 0 "[ . 1]" 1
286 1 5 DG H8 1 7 DT C7 5.000 3.500 7.000 6.445 6.079 6.963 . 0 0 "[ . 1]" 1
287 1 6 DG H1' 1 6 DG Q2' 2.900 . 4.000 2.136 1.884 2.288 . 0 0 "[ . 1]" 1
288 1 6 DG H1' 1 6 DG H3' 4.000 2.500 5.500 3.842 3.779 3.906 . 0 0 "[ . 1]" 1
289 1 6 DG H1' 1 6 DG H4' 2.900 . 4.000 3.036 2.704 3.427 . 0 0 "[ . 1]" 1
290 1 6 DG H1' 1 6 DG H5' 5.000 3.500 6.500 4.627 4.267 4.934 . 0 0 "[ . 1]" 1
291 1 6 DG H1' 1 6 DG H5'' 5.000 3.500 6.500 4.594 4.414 4.863 . 0 0 "[ . 1]" 1
292 1 6 DG H1' 1 21 DG H4' 4.000 2.500 5.500 3.603 2.876 5.298 . 0 0 "[ . 1]" 1
293 1 6 DG Q2' 1 6 DG H3' 2.900 . 4.000 2.247 2.231 2.259 . 0 0 "[ . 1]" 1
294 1 6 DG H3' 1 6 DG H4' 2.900 . 4.000 2.857 2.741 2.991 . 0 0 "[ . 1]" 1
295 1 6 DG Q2' 1 6 DG H4' 4.000 2.500 5.500 3.430 3.234 3.522 . 0 0 "[ . 1]" 1
296 1 5 DG H1' 1 6 DG H8 4.000 2.500 5.500 3.094 2.513 3.398 . 0 0 "[ . 1]" 1
297 1 5 DG H2'' 1 6 DG H8 4.000 2.500 5.500 5.203 4.848 5.499 . 0 0 "[ . 1]" 1
298 1 5 DG H3' 1 6 DG H8 5.000 3.500 6.500 5.341 5.010 5.816 . 0 0 "[ . 1]" 1
299 1 5 DG H4' 1 6 DG H8 4.000 2.500 5.500 3.215 2.861 3.697 . 0 0 "[ . 1]" 1
300 1 6 DG H1' 1 6 DG H8 4.000 2.500 5.500 3.723 3.444 3.859 . 0 0 "[ . 1]" 1
301 1 6 DG Q2' 1 6 DG H8 4.000 3.000 7.000 3.415 3.114 3.916 . 0 0 "[ . 1]" 1
302 1 6 DG H3' 1 6 DG H8 4.000 2.500 5.500 4.886 4.145 5.238 . 0 0 "[ . 1]" 1
303 1 6 DG H4' 1 6 DG H8 5.000 3.500 6.500 4.526 4.383 4.676 . 0 0 "[ . 1]" 1
304 1 6 DG H5' 1 6 DG H8 4.000 3.000 7.000 4.312 2.878 5.510 0.122 8 0 "[ . 1]" 1
305 1 6 DG H5'' 1 6 DG H8 4.000 3.000 7.000 3.975 3.090 5.266 . 0 0 "[ . 1]" 1
306 1 7 DT H1' 1 7 DT H6 4.000 2.500 5.500 3.720 3.684 3.736 . 0 0 "[ . 1]" 1
307 1 8 DG H1' 1 8 DG H4' 2.900 . 4.000 3.244 2.868 3.709 . 0 0 "[ . 1]" 1
308 1 8 DG H1' 1 8 DG H8 4.000 2.500 5.500 3.667 3.292 3.916 . 0 0 "[ . 1]" 1
309 1 8 DG H3' 1 8 DG H8 4.000 2.500 5.500 4.999 4.044 5.530 0.030 3 0 "[ . 1]" 1
310 1 9 DG H1' 1 9 DG H3' 4.000 2.500 5.500 3.848 3.766 3.928 . 0 0 "[ . 1]" 1
311 1 9 DG H1' 1 10 DT H3' 5.000 3.500 6.500 6.123 5.573 6.548 0.048 1 0 "[ . 1]" 1
312 1 9 DG H1' 1 10 DT H4' 4.000 3.000 7.000 3.633 3.111 4.194 . 0 0 "[ . 1]" 1
313 1 9 DG H1' 1 9 DG H8 4.000 2.500 5.500 3.851 3.810 3.902 . 0 0 "[ . 1]" 1
314 1 9 DG H3' 1 9 DG H8 4.000 3.000 7.000 4.472 3.183 4.929 . 0 0 "[ . 1]" 1
315 1 9 DG H8 1 18 DG H1' 6.000 4.500 7.500 4.488 4.427 4.670 0.073 6 0 "[ . 1]" 1
316 1 9 DG H8 1 18 DG H4' 4.000 3.000 7.000 6.589 6.157 6.955 . 0 0 "[ . 1]" 1
317 1 10 DT H1' 1 10 DT H6 4.000 2.500 5.500 3.472 2.439 3.740 0.061 7 0 "[ . 1]" 1
318 1 10 DT H3' 1 10 DT H6 4.000 2.500 5.500 4.422 4.077 4.861 . 0 0 "[ . 1]" 1
319 1 10 DT H4' 1 10 DT H6 6.000 4.500 7.500 4.823 4.360 5.472 0.140 3 0 "[ . 1]" 1
320 1 9 DG H1' 1 10 DT H1' 5.000 3.500 6.500 5.373 4.448 6.337 . 0 0 "[ . 1]" 1
321 1 11 DG H1' 1 12 DG Q2' 2.900 . 4.000 2.429 1.944 3.748 . 0 0 "[ . 1]" 1
322 1 11 DG H1' 1 12 DG H3' 4.000 2.500 5.500 3.862 2.955 4.763 . 0 0 "[ . 1]" 1
323 1 11 DG H1' 1 12 DG H4' 5.000 3.500 6.500 5.567 5.113 6.130 . 0 0 "[ . 1]" 1
324 1 11 DG H1' 1 12 DG H5' 4.000 2.500 5.500 5.035 4.787 5.362 . 0 0 "[ . 1]" 1
325 1 11 DG H1' 1 12 DG H5'' 5.000 3.500 6.500 5.081 4.996 5.298 . 0 0 "[ . 1]" 1
326 1 11 DG H1' 1 13 DT C7 4.000 2.500 6.000 3.650 3.198 5.214 . 0 0 "[ . 1]" 1
327 1 11 DG H4' 1 12 DG H5' 4.000 2.500 5.500 3.656 3.007 5.526 0.026 1 0 "[ . 1]" 1
328 1 11 DG H4' 1 12 DG H5'' 4.000 2.500 5.500 4.211 3.906 5.311 . 0 0 "[ . 1]" 1
329 1 10 DT H3' 1 11 DG H8 5.000 3.500 6.500 4.236 3.534 5.113 . 0 0 "[ . 1]" 1
330 1 10 DT H4' 1 11 DG H8 5.000 3.500 6.500 3.932 3.429 4.937 0.071 9 0 "[ . 1]" 1
331 1 11 DG H1' 1 11 DG H8 4.000 2.500 5.500 3.860 3.506 3.922 . 0 0 "[ . 1]" 1
332 1 11 DG H8 1 12 DG H8 6.000 4.500 7.500 4.931 4.500 5.646 . 0 0 "[ . 1]" 1
333 1 11 DG H1' 1 12 DG H1' 5.000 3.500 6.500 5.121 4.613 5.933 . 0 0 "[ . 1]" 1
334 1 12 DG H1' 1 12 DG Q2' 2.900 . 4.000 1.995 1.913 2.062 . 0 0 "[ . 1]" 1
335 1 12 DG H1' 1 12 DG H3' 4.000 2.500 5.500 3.820 3.761 3.952 . 0 0 "[ . 1]" 1
336 1 12 DG H1' 1 12 DG H4' 2.900 . 4.000 2.946 2.686 3.247 . 0 0 "[ . 1]" 1
337 1 12 DG H1' 1 13 DT C7 5.000 3.500 7.000 6.018 5.738 6.323 . 0 0 "[ . 1]" 1
338 1 12 DG H1' 1 13 DT H4' 5.000 3.500 6.500 4.944 4.271 5.546 . 0 0 "[ . 1]" 1
339 1 12 DG H1' 1 13 DT Q5' 2.900 . 4.000 2.711 2.231 3.194 . 0 0 "[ . 1]" 1
340 1 12 DG H1' 1 15 DG H1' 2.900 . 4.000 2.446 2.164 3.198 . 0 0 "[ . 1]" 1
341 1 12 DG H1' 1 15 DG H2'' 6.000 4.500 7.500 4.625 4.383 5.069 0.117 2 0 "[ . 1]" 1
342 1 12 DG H1' 1 15 DG H3' 5.000 3.500 6.500 5.389 4.931 6.227 . 0 0 "[ . 1]" 1
343 1 12 DG H1' 1 15 DG H4' 2.900 . 4.000 3.387 3.017 4.028 0.028 7 0 "[ . 1]" 1
344 1 12 DG Q2' 1 13 DT C7 . 3.000 4.500 3.219 2.882 3.448 0.118 8 0 "[ . 1]" 1
345 1 11 DG H4' 1 12 DG H3' 6.000 4.500 7.500 4.740 4.405 5.837 0.095 7 0 "[ . 1]" 1
346 1 12 DG Q2' 1 12 DG H3' 2.900 . 4.000 2.271 2.219 2.293 . 0 0 "[ . 1]" 1
347 1 12 DG H3' 1 12 DG H5' 2.900 . 4.000 3.649 3.605 3.690 . 0 0 "[ . 1]" 1
348 1 12 DG H3' 1 12 DG H5'' 2.900 . 4.000 2.612 2.465 2.683 . 0 0 "[ . 1]" 1
349 1 12 DG H3' 1 13 DT C7 2.900 . 4.500 3.667 2.981 4.477 . 0 0 "[ . 1]" 1
350 1 12 DG H3' 1 13 DT Q5' 5.000 3.500 6.500 4.147 3.956 4.826 . 0 0 "[ . 1]" 1
351 1 11 DG H1' 1 12 DG H8 4.000 2.500 5.500 2.900 2.468 3.404 0.032 1 0 "[ . 1]" 1
352 1 11 DG H4' 1 12 DG H8 4.000 2.500 5.500 3.359 2.845 4.859 . 0 0 "[ . 1]" 1
353 1 12 DG H1' 1 12 DG H8 4.000 2.500 5.500 3.846 3.821 3.865 . 0 0 "[ . 1]" 1
354 1 12 DG Q2' 1 12 DG H8 . 3.000 4.000 2.978 2.913 3.054 0.087 1 0 "[ . 1]" 1
355 1 12 DG H3' 1 12 DG H8 4.000 2.500 5.500 4.584 4.032 4.811 . 0 0 "[ . 1]" 1
356 1 12 DG H4' 1 12 DG H8 4.000 2.500 5.500 4.651 4.507 4.720 . 0 0 "[ . 1]" 1
357 1 12 DG H5' 1 12 DG H8 4.000 2.500 5.500 4.056 3.724 4.546 . 0 0 "[ . 1]" 1
358 1 12 DG H5'' 1 12 DG H8 4.000 2.500 5.500 5.002 4.420 5.100 . 0 0 "[ . 1]" 1
359 1 12 DG H8 1 13 DT C7 5.000 3.500 7.000 5.927 5.584 6.187 . 0 0 "[ . 1]" 1
360 1 12 DG H8 1 13 DT Q5' 6.000 4.500 7.500 5.903 5.564 6.223 . 0 0 "[ . 1]" 1
361 1 1 DT H1' 1 13 DT H1' 6.000 4.500 7.500 5.338 4.293 6.357 0.207 9 0 "[ . 1]" 1
362 1 1 DT H4' 1 13 DT H1' 6.000 4.500 7.500 4.952 4.331 6.022 0.169 5 0 "[ . 1]" 1
363 1 1 DT H5' 1 13 DT H1' 6.000 4.500 7.500 5.937 4.827 7.460 . 0 0 "[ . 1]" 1
364 1 1 DT H5'' 1 13 DT H1' 6.000 4.500 7.500 6.556 4.940 7.565 0.065 9 0 "[ . 1]" 1
365 1 2 DG H1' 1 13 DT H1' 5.000 3.500 6.500 4.461 3.798 5.513 . 0 0 "[ . 1]" 1
366 1 13 DT C7 1 13 DT H1' 5.000 3.500 7.000 5.830 5.815 5.843 . 0 0 "[ . 1]" 1
367 1 13 DT H1' 1 13 DT Q5' 5.000 3.500 6.500 4.277 4.229 4.322 . 0 0 "[ . 1]" 1
368 1 13 DT C7 1 13 DT H3' 5.000 3.500 7.000 6.452 5.372 6.954 . 0 0 "[ . 1]" 1
369 1 13 DT H3' 1 13 DT Q5' 2.900 . 4.000 2.501 2.398 2.658 . 0 0 "[ . 1]" 1
370 1 13 DT C7 1 13 DT H4' 5.000 3.500 7.000 6.944 6.805 7.111 0.111 7 0 "[ . 1]" 1
371 1 13 DT H4' 1 13 DT Q5' 2.900 . 4.000 2.187 2.180 2.192 . 0 0 "[ . 1]" 1
372 1 13 DT H4' 1 14 DT H4' 5.000 3.500 6.500 4.845 4.289 5.649 . 0 0 "[ . 1]" 1
373 1 13 DT H4' 1 14 DT H5' 4.000 2.500 5.500 3.839 2.430 5.055 0.070 3 0 "[ . 1]" 1
374 1 13 DT H4' 1 14 DT H5'' 2.900 . 4.000 3.193 2.307 4.043 0.043 4 0 "[ . 1]" 1
375 1 12 DG Q2' 1 13 DT Q5' 4.000 3.000 7.000 2.317 2.146 2.536 0.854 9 9 "[* *-****+*]" 1
376 1 13 DT C7 1 13 DT Q5' 5.000 3.500 7.000 5.400 5.088 5.744 . 0 0 "[ . 1]" 1
377 1 2 DG H8 1 13 DT H6 4.000 2.500 5.500 5.121 4.784 5.514 0.014 4 0 "[ . 1]" 1
378 1 11 DG H1' 1 13 DT H6 6.000 4.500 7.500 5.104 4.726 6.843 . 0 0 "[ . 1]" 1
379 1 12 DG Q2' 1 13 DT H6 5.000 3.500 6.500 2.907 2.743 3.078 0.757 7 7 "[- ***+**1]" 1
380 1 12 DG H3' 1 13 DT H6 4.000 2.500 5.500 3.792 3.380 4.330 . 0 0 "[ . 1]" 1
381 1 12 DG H4' 1 13 DT H6 6.000 4.500 7.500 5.888 5.410 6.366 . 0 0 "[ . 1]" 1
382 1 12 DG H8 1 13 DT H6 5.000 3.500 6.500 6.496 6.442 6.540 0.040 1 0 "[ . 1]" 1
383 1 13 DT C7 1 13 DT H6 2.900 . 4.500 2.663 2.646 2.673 . 0 0 "[ . 1]" 1
384 1 13 DT H1' 1 13 DT H6 4.000 2.500 5.500 3.732 3.722 3.745 . 0 0 "[ . 1]" 1
385 1 13 DT Q2' 1 13 DT H6 4.000 3.000 7.000 2.331 2.116 2.697 0.884 7 8 "[ -***+***]" 1
386 1 13 DT H3' 1 13 DT H6 4.000 2.500 5.500 3.867 2.898 4.319 . 0 0 "[ . 1]" 1
387 1 13 DT H4' 1 13 DT H6 5.000 3.500 6.500 4.415 4.212 4.682 . 0 0 "[ . 1]" 1
388 1 13 DT Q5' 1 13 DT H6 4.000 2.500 5.500 3.423 3.186 3.789 . 0 0 "[ . 1]" 1
389 1 13 DT H6 1 14 DT H3' 4.000 3.000 7.000 6.487 5.853 7.051 0.051 7 0 "[ . 1]" 1
390 1 14 DT H1' 1 14 DT H3' 4.000 2.500 5.500 3.838 3.796 3.901 . 0 0 "[ . 1]" 1
391 1 14 DT H1' 1 14 DT H4' 2.900 . 4.000 3.121 2.780 3.380 . 0 0 "[ . 1]" 1
392 1 14 DT C7 1 14 DT H1' 6.000 4.500 8.000 5.817 5.749 5.835 . 0 0 "[ . 1]" 1
393 1 14 DT C7 1 14 DT H2' 4.000 2.500 6.000 4.755 4.463 4.855 . 0 0 "[ . 1]" 1
394 1 14 DT C7 1 14 DT H2'' 6.000 4.500 8.000 5.990 5.087 6.152 . 0 0 "[ . 1]" 1
395 1 13 DT Q5' 1 14 DT H3' 2.900 . 4.000 2.481 1.988 3.060 . 0 0 "[ . 1]" 1
396 1 14 DT C7 1 14 DT H3' 6.000 4.500 8.000 6.694 6.358 6.895 . 0 0 "[ . 1]" 1
397 1 13 DT Q5' 1 14 DT H4' 5.000 3.500 6.500 4.616 4.111 5.128 . 0 0 "[ . 1]" 1
398 1 14 DT C7 1 14 DT H5' 6.000 4.500 8.000 6.219 5.331 7.369 . 0 0 "[ . 1]" 1
399 1 14 DT C7 1 14 DT H5'' 6.000 4.500 8.000 6.584 5.590 7.488 . 0 0 "[ . 1]" 1
400 1 13 DT H4' 1 14 DT H6 6.000 4.500 7.500 6.023 4.528 7.256 . 0 0 "[ . 1]" 1
401 1 13 DT Q5' 1 14 DT H6 6.000 4.500 7.500 5.209 4.279 6.297 0.221 7 0 "[ . 1]" 1
402 1 14 DT C7 1 14 DT H6 2.900 . 4.500 2.663 2.659 2.668 . 0 0 "[ . 1]" 1
403 1 14 DT H1' 1 14 DT H6 4.000 2.500 5.500 3.710 3.624 3.732 . 0 0 "[ . 1]" 1
404 1 14 DT H2' 1 14 DT H6 2.900 . 4.000 2.447 1.815 2.691 . 0 0 "[ . 1]" 1
405 1 14 DT H2'' 1 14 DT H6 2.900 . 4.000 3.814 2.689 4.004 0.004 8 0 "[ . 1]" 1
406 1 14 DT H3' 1 14 DT H6 4.000 2.500 5.500 4.123 3.825 4.323 . 0 0 "[ . 1]" 1
407 1 14 DT H4' 1 14 DT H6 5.000 3.500 6.500 4.475 4.229 5.163 . 0 0 "[ . 1]" 1
408 1 14 DT H5' 1 14 DT H6 4.000 2.500 5.500 3.922 3.131 4.829 . 0 0 "[ . 1]" 1
409 1 14 DT H5'' 1 14 DT H6 4.000 2.500 5.500 4.178 3.162 5.414 . 0 0 "[ . 1]" 1
410 1 12 DG H4' 1 15 DG H1' 4.000 2.500 5.500 3.240 2.772 3.955 . 0 0 "[ . 1]" 1
411 1 15 DG H1' 1 15 DG H2'' 2.900 . 4.000 2.244 1.917 2.397 . 0 0 "[ . 1]" 1
412 1 15 DG H1' 1 15 DG H2' 4.000 2.500 5.500 3.021 3.009 3.030 . 0 0 "[ . 1]" 1
413 1 15 DG H1' 1 15 DG H3' 4.000 2.500 5.500 3.827 3.784 3.915 . 0 0 "[ . 1]" 1
414 1 15 DG H1' 1 15 DG H4' 2.900 . 4.000 3.213 2.853 3.403 . 0 0 "[ . 1]" 1
415 1 15 DG H1' 1 15 DG H5' 4.000 3.000 7.000 4.872 4.478 5.005 . 0 0 "[ . 1]" 1
416 1 15 DG H1' 1 15 DG H5'' 4.000 3.000 7.000 4.368 4.301 4.585 . 0 0 "[ . 1]" 1
417 1 13 DT Q5' 1 15 DG H1' 5.000 3.500 6.500 4.616 3.747 5.358 . 0 0 "[ . 1]" 1
418 1 15 DG H2' 1 15 DG H2'' 2.900 . 4.000 1.792 1.788 1.796 0.012 10 0 "[ . 1]" 1
419 1 15 DG H2'' 1 15 DG H3' 2.900 . 4.000 2.895 2.763 3.114 . 0 0 "[ . 1]" 1
420 1 15 DG H2' 1 15 DG H3' 2.900 . 4.000 2.357 2.306 2.393 . 0 0 "[ . 1]" 1
421 1 15 DG H3' 1 15 DG H5' 2.900 . 4.000 2.406 2.158 2.568 . 0 0 "[ . 1]" 1
422 1 15 DG H3' 1 26 DG H4' 5.000 3.500 6.500 4.038 3.609 4.692 . 0 0 "[ . 1]" 1
423 1 15 DG H2' 1 15 DG H4' 2.900 . 4.000 3.832 3.790 3.893 . 0 0 "[ . 1]" 1
424 1 15 DG H2'' 1 15 DG H4' 4.000 2.500 5.500 4.048 3.809 4.148 . 0 0 "[ . 1]" 1
425 1 12 DG H1' 1 15 DG H8 6.000 4.500 7.500 4.611 4.460 5.091 0.040 2 0 "[ . 1]" 1
426 1 15 DG H1' 1 15 DG H8 4.000 2.500 5.500 3.867 3.755 3.904 . 0 0 "[ . 1]" 1
427 1 15 DG H2'' 1 15 DG H8 4.000 2.500 5.500 4.217 3.902 4.539 . 0 0 "[ . 1]" 1
428 1 15 DG H2' 1 15 DG H8 4.000 2.500 5.500 2.998 2.777 3.438 . 0 0 "[ . 1]" 1
429 1 15 DG H3' 1 15 DG H8 5.000 3.500 6.500 4.656 4.323 4.780 . 0 0 "[ . 1]" 1
430 1 15 DG H4' 1 15 DG H8 5.000 3.500 6.500 4.597 4.543 4.637 . 0 0 "[ . 1]" 1
431 1 15 DG H5' 1 15 DG H8 4.000 2.500 5.500 4.365 3.475 5.073 . 0 0 "[ . 1]" 1
432 1 15 DG H5'' 1 15 DG H8 4.000 2.500 5.500 2.957 2.409 3.985 0.091 8 0 "[ . 1]" 1
433 1 15 DG H8 1 26 DG H1' 4.000 2.500 5.500 3.684 3.330 4.139 . 0 0 "[ . 1]" 1
434 1 15 DG H8 1 26 DG H2'' 6.000 4.500 7.500 5.681 5.337 5.957 . 0 0 "[ . 1]" 1
435 1 15 DG H8 1 26 DG H2' 6.000 4.500 7.500 5.292 5.042 5.694 . 0 0 "[ . 1]" 1
436 1 15 DG H8 1 26 DG H4' 5.000 3.500 6.500 4.070 3.522 4.877 . 0 0 "[ . 1]" 1
437 1 16 DT H1' 1 16 DT Q2' 2.900 . 4.000 2.271 2.144 2.362 . 0 0 "[ . 1]" 1
438 1 16 DT H1' 1 16 DT H3' 4.000 2.500 5.500 3.849 3.725 3.999 . 0 0 "[ . 1]" 1
439 1 16 DT H1' 1 16 DT H4' 2.900 . 4.000 3.203 2.790 3.645 . 0 0 "[ . 1]" 1
440 1 12 DG H4' 1 16 DT H6 6.000 4.500 7.500 6.843 5.965 7.597 0.097 7 0 "[ . 1]" 1
441 1 15 DG H1' 1 16 DT H6 6.000 4.500 7.500 5.185 4.586 5.732 . 0 0 "[ . 1]" 1
442 1 15 DG H2'' 1 16 DT H6 4.000 3.000 7.000 3.110 2.933 3.538 0.067 2 0 "[ . 1]" 1
443 1 15 DG H2' 1 16 DT H6 5.000 3.500 6.500 3.933 3.422 4.393 0.078 7 0 "[ . 1]" 1
444 1 15 DG H3' 1 16 DT H6 5.000 3.500 6.500 4.283 3.450 5.056 0.050 1 0 "[ . 1]" 1
445 1 15 DG Q5' 1 16 DT H6 5.000 3.500 7.000 5.789 5.127 6.225 . 0 0 "[ . 1]" 1
446 1 15 DG H8 1 16 DT H6 6.000 4.500 7.500 6.746 6.633 7.053 . 0 0 "[ . 1]" 1
447 1 16 DT C7 1 16 DT H6 2.900 . 4.500 2.652 2.626 2.671 . 0 0 "[ . 1]" 1
448 1 16 DT H1' 1 16 DT H6 4.000 2.500 5.500 3.514 2.725 3.779 . 0 0 "[ . 1]" 1
449 1 16 DT Q2' 1 16 DT H6 4.000 3.000 7.000 2.961 2.276 4.162 0.724 4 6 "[ +-* ***]" 1
450 1 16 DT H3' 1 16 DT H6 4.000 2.500 5.500 4.300 3.804 5.668 0.168 1 0 "[ . 1]" 1
451 1 16 DT H4' 1 16 DT H6 5.000 3.500 6.500 4.392 4.087 4.597 . 0 0 "[ . 1]" 1
452 1 16 DT H6 1 17 DG H8 6.000 4.500 7.500 5.011 4.358 6.375 0.142 9 0 "[ . 1]" 1
453 1 16 DT H6 1 26 DG H1' 6.000 4.500 7.500 4.733 4.439 4.946 0.061 3 0 "[ . 1]" 1
454 1 16 DT H6 1 27 DT C7 5.000 3.500 7.000 7.022 6.401 7.196 0.196 2 0 "[ . 1]" 1
455 1 16 DT C7 1 27 DT C7 5.000 3.800 7.200 5.487 4.456 7.382 0.182 2 0 "[ . 1]" 1
456 1 17 DG H1' 1 17 DG H2'' 2.900 . 4.000 2.406 2.198 2.494 . 0 0 "[ . 1]" 1
457 1 17 DG H1' 1 17 DG H2' 2.900 . 4.000 3.028 3.013 3.037 . 0 0 "[ . 1]" 1
458 1 17 DG H1' 1 17 DG H3' 2.900 . 4.000 3.795 3.749 3.844 . 0 0 "[ . 1]" 1
459 1 17 DG H1' 1 18 DG H3' 5.000 3.500 6.500 3.848 3.443 4.624 0.057 4 0 "[ . 1]" 1
460 1 17 DG H1' 1 18 DG H4' 6.000 4.500 7.500 5.098 4.621 5.510 . 0 0 "[ . 1]" 1
461 1 17 DG H2'' 1 17 DG H3' 2.900 . 4.000 2.719 2.621 2.885 . 0 0 "[ . 1]" 1
462 1 17 DG H2' 1 17 DG H3' 2.900 . 4.000 2.372 2.347 2.395 . 0 0 "[ . 1]" 1
463 1 16 DT H1' 1 17 DG H8 4.000 2.500 5.500 2.936 2.476 4.272 0.024 5 0 "[ . 1]" 1
464 1 17 DG H1' 1 17 DG H8 4.000 2.500 5.500 3.912 3.903 3.935 . 0 0 "[ . 1]" 1
465 1 17 DG H2' 1 17 DG H8 2.900 . 4.000 2.548 2.363 2.755 . 0 0 "[ . 1]" 1
466 1 17 DG H2'' 1 17 DG H8 4.000 2.500 5.500 3.958 3.762 4.095 . 0 0 "[ . 1]" 1
467 1 17 DG H3' 1 17 DG H8 5.000 3.500 6.500 4.516 4.405 4.642 . 0 0 "[ . 1]" 1
468 1 17 DG H4' 1 17 DG H8 5.000 3.500 6.500 4.794 4.499 4.969 . 0 0 "[ . 1]" 1
469 1 17 DG H8 1 19 DT C7 5.000 3.500 7.000 6.310 4.995 6.697 . 0 0 "[ . 1]" 1
470 1 17 DG H1' 1 18 DG H1' 6.000 4.500 7.500 4.812 4.501 5.040 . 0 0 "[ . 1]" 1
471 1 18 DG H1' 1 18 DG H2'' 2.900 . 4.000 2.132 1.987 2.388 . 0 0 "[ . 1]" 1
472 1 18 DG H1' 1 18 DG H2' 2.900 . 4.000 3.000 2.945 3.027 . 0 0 "[ . 1]" 1
473 1 18 DG H1' 1 18 DG H3' 2.900 . 4.000 3.861 3.777 3.922 . 0 0 "[ . 1]" 1
474 1 18 DG H1' 1 18 DG H4' 4.000 2.500 5.500 2.823 2.719 2.997 . 0 0 "[ . 1]" 1
475 1 18 DG H3' 1 18 DG H4' 4.000 2.500 5.500 2.941 2.850 3.023 . 0 0 "[ . 1]" 1
476 1 10 DT H4' 1 18 DG H8 6.000 4.500 7.500 6.696 5.911 7.393 . 0 0 "[ . 1]" 1
477 1 17 DG H1' 1 18 DG H8 4.000 2.500 5.500 2.782 2.466 3.008 0.034 1 0 "[ . 1]" 1
478 1 17 DG H3' 1 18 DG H8 6.000 4.500 7.500 5.271 5.047 5.404 . 0 0 "[ . 1]" 1
479 1 17 DG H4' 1 18 DG H8 4.000 3.000 7.000 3.197 2.906 3.428 0.094 10 0 "[ . 1]" 1
480 1 17 DG H5' 1 18 DG H8 4.000 2.500 5.500 4.091 3.692 4.579 . 0 0 "[ . 1]" 1
481 1 17 DG H5'' 1 18 DG H8 4.000 2.500 5.500 4.915 4.050 5.400 . 0 0 "[ . 1]" 1
482 1 18 DG H1' 1 18 DG H8 4.000 2.500 5.500 3.650 3.346 3.875 . 0 0 "[ . 1]" 1
483 1 18 DG H2'' 1 18 DG H8 4.000 2.500 5.500 4.499 4.133 4.878 . 0 0 "[ . 1]" 1
484 1 18 DG H2' 1 18 DG H8 4.000 2.500 5.500 3.637 2.956 4.364 . 0 0 "[ . 1]" 1
485 1 18 DG H3' 1 18 DG H8 5.000 3.500 6.500 4.757 4.181 5.459 . 0 0 "[ . 1]" 1
486 1 18 DG H4' 1 18 DG H8 5.000 3.500 6.500 4.606 4.505 4.709 . 0 0 "[ . 1]" 1
487 1 18 DG Q5' 1 18 DG H8 5.000 3.500 6.500 4.072 3.909 4.192 . 0 0 "[ . 1]" 1
488 1 18 DG H8 1 19 DT C7 5.000 3.500 7.000 6.058 5.373 7.044 0.044 1 0 "[ . 1]" 1
489 1 19 DT H1' 1 19 DT H6 4.000 2.500 5.500 3.556 2.347 3.748 0.153 1 0 "[ . 1]" 1
490 1 20 DG H1' 1 20 DG H2'' 2.900 . 4.000 2.359 1.955 2.592 . 0 0 "[ . 1]" 1
491 1 20 DG H1' 1 20 DG H2' 2.900 . 4.000 3.022 2.985 3.036 . 0 0 "[ . 1]" 1
492 1 20 DG H1' 1 20 DG H3' 4.000 2.500 5.500 3.805 3.725 3.951 . 0 0 "[ . 1]" 1
493 1 20 DG H1' 1 20 DG H4' 2.900 . 4.000 3.252 2.979 3.669 . 0 0 "[ . 1]" 1
494 1 20 DG H1' 1 20 DG H8 4.000 2.500 5.500 3.824 3.469 3.920 . 0 0 "[ . 1]" 1
495 1 20 DG H2' 1 20 DG H8 4.000 2.500 5.500 3.067 2.503 4.134 . 0 0 "[ . 1]" 1
496 1 20 DG H2'' 1 20 DG H8 4.000 3.000 7.000 4.284 3.899 4.720 . 0 0 "[ . 1]" 1
497 1 20 DG H3' 1 20 DG H8 5.000 3.500 6.500 4.803 4.490 5.227 . 0 0 "[ . 1]" 1
498 1 20 DG H4' 1 20 DG H8 4.000 2.500 5.500 4.623 4.055 4.826 . 0 0 "[ . 1]" 1
499 1 6 DG H4' 1 21 DG H1' 5.000 3.500 6.500 4.164 3.485 4.842 0.015 4 0 "[ . 1]" 1
500 1 21 DG H1' 1 21 DG H8 4.000 2.500 5.500 3.752 3.194 3.891 . 0 0 "[ . 1]" 1
501 1 21 DG H3' 1 21 DG H8 5.000 3.500 6.500 4.828 4.412 5.746 . 0 0 "[ . 1]" 1
502 1 21 DG H4' 1 21 DG H8 5.000 3.500 6.500 4.646 4.508 4.800 . 0 0 "[ . 1]" 1
503 1 21 DG H5' 1 21 DG H8 4.000 3.000 7.000 4.256 2.878 5.734 0.122 4 0 "[ . 1]" 1
504 1 21 DG H5'' 1 21 DG H8 4.000 3.000 7.000 4.864 4.176 5.353 . 0 0 "[ . 1]" 1
505 1 22 DT H1' 1 22 DT H6 4.000 2.500 5.500 2.889 2.350 3.730 0.150 10 0 "[ . 1]" 1
506 1 23 DG H1' 1 23 DG Q2' 2.900 . 4.000 2.356 2.330 2.393 . 0 0 "[ . 1]" 1
507 1 23 DG H1' 1 23 DG H3' 4.000 2.500 5.500 3.812 3.786 3.851 . 0 0 "[ . 1]" 1
508 1 23 DG H1' 1 23 DG H4' 2.900 . 4.000 3.253 2.925 3.443 . 0 0 "[ . 1]" 1
509 1 23 DG H1' 1 24 DG H3' 4.000 2.500 5.500 4.095 2.882 4.451 . 0 0 "[ . 1]" 1
510 1 23 DG H1' 1 24 DG H4' 6.000 4.500 7.500 5.609 4.996 5.845 . 0 0 "[ . 1]" 1
511 1 23 DG H1' 1 24 DG H5' 4.000 2.500 5.500 5.102 4.801 5.329 . 0 0 "[ . 1]" 1
512 1 23 DG H1' 1 24 DG H5'' 5.000 3.500 6.500 5.209 5.115 5.289 . 0 0 "[ . 1]" 1
513 1 23 DG H1' 1 25 DT C7 4.000 3.000 7.000 3.379 2.933 4.054 0.067 3 0 "[ . 1]" 1
514 1 23 DG Q2' 1 25 DT C7 4.000 3.000 7.000 3.035 2.820 3.415 0.180 5 0 "[ . 1]" 1
515 1 23 DG H1' 1 25 DT H4' 6.000 4.500 7.500 7.300 5.850 7.561 0.061 7 0 "[ . 1]" 1
516 1 23 DG H3' 1 24 DG H5' 5.000 3.500 6.500 5.750 5.224 6.149 . 0 0 "[ . 1]" 1
517 1 23 DG H4' 1 24 DG H5' 2.900 . 4.000 3.345 2.623 4.011 0.011 5 0 "[ . 1]" 1
518 1 23 DG H4' 1 24 DG H5'' 4.000 2.500 5.500 3.998 3.670 4.297 . 0 0 "[ . 1]" 1
519 1 23 DG H4' 1 25 DT C7 5.000 3.500 7.000 5.624 5.088 6.888 . 0 0 "[ . 1]" 1
520 1 23 DG H5' 1 24 DG H5' 5.000 3.500 6.500 5.146 4.236 6.003 . 0 0 "[ . 1]" 1
521 1 23 DG H5'' 1 24 DG H5' 5.000 3.500 6.500 5.401 4.508 6.365 . 0 0 "[ . 1]" 1
522 1 23 DG H1' 1 23 DG H8 4.000 2.500 5.500 3.908 3.886 3.929 . 0 0 "[ . 1]" 1
523 1 23 DG H3' 1 23 DG H8 4.000 3.000 7.000 4.472 4.334 4.575 . 0 0 "[ . 1]" 1
524 1 23 DG H4' 1 23 DG H8 4.000 3.000 7.000 4.772 4.575 4.911 . 0 0 "[ . 1]" 1
525 1 23 DG H5' 1 23 DG H8 4.000 2.500 5.500 4.033 3.702 4.404 . 0 0 "[ . 1]" 1
526 1 23 DG H5'' 1 23 DG H8 4.000 2.500 5.500 4.645 4.327 5.250 . 0 0 "[ . 1]" 1
527 1 3 DG H1' 1 24 DG H1' 2.900 . 4.000 2.108 1.787 2.405 0.013 8 0 "[ . 1]" 1
528 1 3 DG H2'' 1 24 DG H1' 5.000 3.500 6.500 4.433 4.181 4.778 . 0 0 "[ . 1]" 1
529 1 3 DG H3' 1 24 DG H1' 6.000 4.500 7.500 5.130 4.984 5.455 . 0 0 "[ . 1]" 1
530 1 3 DG H4' 1 24 DG H1' 2.900 . 4.000 2.961 2.749 3.152 . 0 0 "[ . 1]" 1
531 1 23 DG H1' 1 24 DG H1' 5.000 3.500 6.500 4.916 4.395 5.259 . 0 0 "[ . 1]" 1
532 1 24 DG H1' 1 24 DG H2'' 2.900 . 4.000 2.139 1.848 2.220 . 0 0 "[ . 1]" 1
533 1 24 DG H1' 1 24 DG H2' 4.000 2.500 5.500 3.024 2.993 3.032 . 0 0 "[ . 1]" 1
534 1 24 DG H1' 1 24 DG H3' 4.000 2.500 5.500 3.781 3.731 3.895 . 0 0 "[ . 1]" 1
535 1 24 DG H1' 1 24 DG H4' 2.900 . 4.000 3.008 2.701 3.172 . 0 0 "[ . 1]" 1
536 1 24 DG H1' 1 25 DT H5' 4.000 2.500 5.500 3.282 2.478 5.561 0.061 9 0 "[ . 1]" 1
537 1 24 DG H1' 1 25 DT H5'' 4.000 2.500 5.500 4.331 3.992 5.559 0.059 10 0 "[ . 1]" 1
538 1 24 DG H2' 1 24 DG H3' 2.900 . 4.000 2.360 2.275 2.405 . 0 0 "[ . 1]" 1
539 1 24 DG H2'' 1 24 DG H3' 4.000 2.500 5.500 3.018 2.939 3.204 . 0 0 "[ . 1]" 1
540 1 24 DG H3' 1 24 DG H5'' 4.000 2.500 5.500 2.593 2.494 2.799 0.006 3 0 "[ . 1]" 1
541 1 24 DG H3' 1 24 DG H5' 4.000 2.500 5.500 3.664 3.639 3.695 . 0 0 "[ . 1]" 1
542 1 3 DG H2' 1 24 DG H4' 5.000 3.500 6.500 5.378 5.067 6.286 . 0 0 "[ . 1]" 1
543 1 3 DG H2'' 1 24 DG H4' 5.000 3.500 6.500 4.418 3.955 5.306 . 0 0 "[ . 1]" 1
544 1 4 DT H2' 1 24 DG H4' 5.000 3.500 6.500 4.720 3.682 5.274 . 0 0 "[ . 1]" 1
545 1 4 DT H2'' 1 24 DG H4' 5.000 3.500 6.500 6.009 4.576 6.562 0.062 6 0 "[ . 1]" 1
546 1 24 DG H2' 1 24 DG H4' 2.900 . 4.000 3.830 3.783 3.883 . 0 0 "[ . 1]" 1
547 1 24 DG H2'' 1 24 DG H4' 4.000 2.500 5.500 3.975 3.444 4.126 . 0 0 "[ . 1]" 1
548 1 24 DG H4' 1 24 DG H5' 2.900 . 4.000 2.471 2.431 2.536 . 0 0 "[ . 1]" 1
549 1 24 DG H2'' 1 24 DG H5' 4.000 2.500 5.500 5.282 5.157 5.358 . 0 0 "[ . 1]" 1
550 1 24 DG H2' 1 24 DG H5' 4.000 2.500 5.500 4.285 3.921 4.987 . 0 0 "[ . 1]" 1
551 1 4 DT H2' 1 24 DG H5'' 6.000 4.500 7.500 4.662 4.466 5.060 0.034 3 0 "[ . 1]" 1
552 1 4 DT H2'' 1 24 DG H5'' 6.000 4.500 7.500 5.528 4.844 6.301 . 0 0 "[ . 1]" 1
553 1 24 DG H2'' 1 24 DG H5'' 5.000 3.500 6.500 5.066 5.024 5.144 . 0 0 "[ . 1]" 1
554 1 24 DG H2' 1 24 DG H5'' 5.000 3.500 6.500 4.104 3.939 4.741 . 0 0 "[ . 1]" 1
555 1 24 DG H5' 1 24 DG H5'' 2.900 . 4.000 1.777 1.775 1.779 0.025 9 0 "[ . 1]" 1
556 1 3 DG H1' 1 24 DG H8 4.000 2.500 5.500 4.279 3.689 4.601 . 0 0 "[ . 1]" 1
557 1 3 DG H4' 1 24 DG H8 5.000 3.500 6.500 6.220 5.518 6.522 0.022 8 0 "[ . 1]" 1
558 1 23 DG H1' 1 24 DG H8 4.000 2.500 5.500 3.003 2.645 3.508 . 0 0 "[ . 1]" 1
559 1 23 DG H3' 1 24 DG H8 5.000 3.500 6.500 5.341 5.206 5.630 . 0 0 "[ . 1]" 1
560 1 23 DG H4' 1 24 DG H8 4.000 3.000 7.000 3.160 2.849 3.504 0.151 8 0 "[ . 1]" 1
561 1 23 DG H5' 1 24 DG H8 5.000 3.500 6.500 3.886 3.517 4.406 . 0 0 "[ . 1]" 1
562 1 23 DG H5'' 1 24 DG H8 5.000 3.500 6.500 5.039 4.696 5.477 . 0 0 "[ . 1]" 1
563 1 24 DG H1' 1 24 DG H8 4.000 2.500 5.500 3.824 3.728 3.888 . 0 0 "[ . 1]" 1
564 1 24 DG H2'' 1 24 DG H8 4.000 2.500 5.500 4.202 3.994 4.426 . 0 0 "[ . 1]" 1
565 1 24 DG H2' 1 24 DG H8 4.000 2.500 5.500 3.213 2.932 3.600 . 0 0 "[ . 1]" 1
566 1 24 DG H3' 1 24 DG H8 5.000 3.500 6.500 4.822 4.227 5.100 . 0 0 "[ . 1]" 1
567 1 24 DG H4' 1 24 DG H8 5.000 3.500 6.500 4.636 4.570 4.714 . 0 0 "[ . 1]" 1
568 1 24 DG H5'' 1 24 DG H8 4.000 2.500 5.500 5.020 4.846 5.281 . 0 0 "[ . 1]" 1
569 1 24 DG H5' 1 24 DG H8 4.000 2.500 5.500 3.977 3.664 4.314 . 0 0 "[ . 1]" 1
570 1 25 DT C7 1 25 DT H1' 5.000 3.500 7.000 5.796 5.478 5.849 . 0 0 "[ . 1]" 1
571 1 25 DT H1' 1 26 DG H3' 5.000 3.500 6.500 5.637 3.846 6.394 . 0 0 "[ . 1]" 1
572 1 25 DT H1' 1 27 DT C7 5.000 3.500 7.000 4.452 3.978 4.730 . 0 0 "[ . 1]" 1
573 1 25 DT H2' 1 27 DT C7 6.000 4.500 8.000 7.039 5.931 7.508 . 0 0 "[ . 1]" 1
574 1 25 DT H2'' 1 27 DT C7 6.000 4.500 8.000 5.733 4.718 6.298 . 0 0 "[ . 1]" 1
575 1 23 DG H1' 1 25 DT H6 5.000 3.500 6.500 4.370 3.536 4.774 . 0 0 "[ . 1]" 1
576 1 24 DG H1' 1 25 DT H6 5.000 3.500 6.500 5.140 4.526 6.289 . 0 0 "[ . 1]" 1
577 1 24 DG H3' 1 25 DT H6 4.000 2.500 5.500 3.902 3.342 5.253 . 0 0 "[ . 1]" 1
578 1 24 DG H4' 1 25 DT H6 6.000 4.500 7.500 6.140 5.298 7.518 0.018 9 0 "[ . 1]" 1
579 1 25 DT C7 1 25 DT H6 2.900 . 4.500 2.666 2.654 2.684 . 0 0 "[ . 1]" 1
580 1 25 DT H1' 1 25 DT H6 4.000 2.500 5.500 3.677 3.255 3.752 . 0 0 "[ . 1]" 1
581 1 25 DT H2' 1 25 DT H6 2.900 . 4.000 2.538 2.168 3.989 . 0 0 "[ . 1]" 1
582 1 25 DT H2'' 1 25 DT H6 4.000 3.000 7.000 3.947 3.640 4.856 . 0 0 "[ . 1]" 1
583 1 25 DT H3' 1 25 DT H6 4.000 2.500 5.500 4.117 3.573 5.304 . 0 0 "[ . 1]" 1
584 1 25 DT H4' 1 25 DT H6 5.000 3.500 6.500 4.425 4.152 4.686 . 0 0 "[ . 1]" 1
585 1 25 DT H5' 1 25 DT H6 5.000 3.500 6.500 3.922 3.490 4.981 0.010 8 0 "[ . 1]" 1
586 1 25 DT H5'' 1 25 DT H6 5.000 3.500 6.500 4.173 3.456 4.837 0.044 10 0 "[ . 1]" 1
587 1 25 DT H6 1 26 DG H8 6.000 4.500 7.500 5.754 5.450 6.192 . 0 0 "[ . 1]" 1
588 1 25 DT H6 1 27 DT C7 6.000 4.500 8.000 7.746 6.201 8.077 0.077 7 0 "[ . 1]" 1
589 1 15 DG H1' 1 26 DG H1' 6.000 4.500 7.500 5.339 5.086 5.512 . 0 0 "[ . 1]" 1
590 1 15 DG H2' 1 26 DG H1' 4.000 2.500 5.500 2.456 2.389 2.541 0.111 10 0 "[ . 1]" 1
591 1 15 DG H2'' 1 26 DG H1' 4.000 2.500 5.500 3.943 3.600 4.257 . 0 0 "[ . 1]" 1
592 1 15 DG H3' 1 26 DG H1' 5.000 3.500 6.500 3.762 3.411 4.102 0.089 10 0 "[ . 1]" 1
593 1 15 DG H5' 1 26 DG H1' 4.000 3.000 7.000 4.403 3.045 5.043 . 0 0 "[ . 1]" 1
594 1 15 DG H5'' 1 26 DG H1' 4.000 3.000 7.000 3.757 3.152 4.702 . 0 0 "[ . 1]" 1
595 1 26 DG H1' 1 26 DG H2'' 2.900 . 4.000 2.378 2.270 2.502 . 0 0 "[ . 1]" 1
596 1 26 DG H1' 1 26 DG H2' 4.000 2.500 5.500 2.992 2.778 3.027 . 0 0 "[ . 1]" 1
597 1 26 DG H1' 1 26 DG H3' 4.000 2.500 5.500 3.849 3.775 3.935 . 0 0 "[ . 1]" 1
598 1 26 DG H1' 1 26 DG H4' 2.900 . 4.000 3.270 2.964 3.453 . 0 0 "[ . 1]" 1
599 1 26 DG H1' 1 27 DT C7 6.000 4.500 8.000 4.576 4.399 5.033 0.101 2 0 "[ . 1]" 1
600 1 26 DG H1' 1 27 DT H4' 5.000 3.500 6.500 6.374 6.017 6.616 0.116 4 0 "[ . 1]" 1
601 1 26 DG H2' 1 27 DT C7 5.000 3.500 7.000 3.772 3.507 4.022 . 0 0 "[ . 1]" 1
602 1 26 DG H2'' 1 27 DT C7 5.000 3.500 7.000 3.728 3.406 4.780 0.094 2 0 "[ . 1]" 1
603 1 26 DG H2'' 1 26 DG H3' 2.900 . 4.000 2.743 2.543 3.015 . 0 0 "[ . 1]" 1
604 1 26 DG H2' 1 26 DG H3' 2.900 . 4.000 2.349 2.307 2.383 . 0 0 "[ . 1]" 1
605 1 26 DG H3' 1 27 DT C7 4.000 2.500 6.000 5.858 5.596 6.068 0.068 10 0 "[ . 1]" 1
606 1 15 DG H5' 1 26 DG H3' 4.000 2.500 5.500 5.329 4.412 5.605 0.105 8 0 "[ . 1]" 1
607 1 15 DG H5'' 1 26 DG H3' 4.000 2.500 5.500 4.960 4.315 5.551 0.051 5 0 "[ . 1]" 1
608 1 15 DG H8 1 26 DG H8 4.000 2.500 5.500 4.336 3.883 4.778 . 0 0 "[ . 1]" 1
609 1 25 DT H1' 1 26 DG H8 2.900 . 4.000 2.610 1.991 2.962 . 0 0 "[ . 1]" 1
610 1 25 DT H3' 1 26 DG H8 5.000 3.500 6.500 4.719 4.242 5.254 . 0 0 "[ . 1]" 1
611 1 25 DT H4' 1 26 DG H8 4.000 2.500 5.500 2.887 2.404 3.591 0.096 6 0 "[ . 1]" 1
612 1 26 DG H1' 1 26 DG H8 4.000 2.500 5.500 3.908 3.878 3.920 . 0 0 "[ . 1]" 1
613 1 26 DG H2' 1 26 DG H8 2.900 . 4.000 2.527 2.355 2.938 . 0 0 "[ . 1]" 1
614 1 26 DG H2'' 1 26 DG H8 4.000 2.500 5.500 3.994 3.837 4.208 . 0 0 "[ . 1]" 1
615 1 26 DG H3' 1 26 DG H8 4.000 2.500 5.500 4.179 2.477 4.663 0.023 8 0 "[ . 1]" 1
616 1 26 DG H4' 1 26 DG H8 5.000 3.500 6.500 4.761 4.589 4.907 . 0 0 "[ . 1]" 1
617 1 26 DG H8 1 27 DT C7 5.000 3.500 7.000 4.322 3.988 4.854 . 0 0 "[ . 1]" 1
618 1 27 DT H1' 1 27 DT H3' 4.000 2.500 5.500 3.900 3.767 4.020 . 0 0 "[ . 1]" 1
619 1 27 DT H1' 1 27 DT H4' 2.900 . 4.000 3.003 2.574 3.493 . 0 0 "[ . 1]" 1
620 1 27 DT H1' 1 27 DT H5' 5.000 3.500 6.500 4.673 4.239 5.141 . 0 0 "[ . 1]" 1
621 1 27 DT H1' 1 27 DT H5'' 5.000 3.500 6.500 4.690 4.367 4.949 . 0 0 "[ . 1]" 1
622 1 27 DT C7 1 27 DT H1' 6.000 4.500 8.000 5.774 5.672 5.817 . 0 0 "[ . 1]" 1
623 1 27 DT H1' 1 28 DT C7 5.000 3.500 7.000 4.307 3.458 4.939 0.042 6 0 "[ . 1]" 1
624 1 27 DT H1' 1 28 DT Q5' 6.000 4.500 7.500 4.363 3.633 5.924 0.867 2 4 "[ + . - **]" 1
625 1 27 DT C7 1 27 DT H4' 5.000 3.500 7.000 6.914 6.620 7.093 0.093 8 0 "[ . 1]" 1
626 1 27 DT H4' 1 28 DT C7 6.000 4.500 8.000 6.336 4.864 7.446 . 0 0 "[ . 1]" 1
627 1 27 DT H4' 1 28 DT Q5' 5.000 3.500 6.500 4.174 2.955 5.840 0.545 8 1 "[ . + 1]" 1
628 1 27 DT C7 1 27 DT H5' 6.000 4.500 8.000 6.594 4.703 7.466 . 0 0 "[ . 1]" 1
629 1 27 DT C7 1 27 DT H5'' 6.000 4.500 8.000 6.182 4.592 7.662 . 0 0 "[ . 1]" 1
630 1 16 DT C7 1 27 DT H6 5.000 3.500 7.000 4.485 3.461 5.584 0.039 5 0 "[ . 1]" 1
631 1 26 DG H1' 1 27 DT H6 6.000 4.500 7.500 4.467 4.422 4.542 0.078 9 0 "[ . 1]" 1
632 1 26 DG H2' 1 27 DT H6 4.000 2.500 5.500 3.734 2.788 4.707 . 0 0 "[ . 1]" 1
633 1 26 DG H2'' 1 27 DT H6 4.000 2.500 5.500 2.797 2.457 3.462 0.043 10 0 "[ . 1]" 1
634 1 26 DG H3' 1 27 DT H6 5.000 3.500 6.500 5.055 4.575 5.727 . 0 0 "[ . 1]" 1
635 1 26 DG H8 1 27 DT H6 6.000 4.500 7.500 5.545 4.687 6.178 . 0 0 "[ . 1]" 1
636 1 27 DT C7 1 27 DT H6 2.900 . 4.500 2.657 2.634 2.684 . 0 0 "[ . 1]" 1
637 1 27 DT H1' 1 27 DT H6 4.000 2.500 5.500 3.668 3.539 3.722 . 0 0 "[ . 1]" 1
638 1 27 DT H2' 1 27 DT H6 2.900 . 4.000 2.655 2.076 3.805 . 0 0 "[ . 1]" 1
639 1 27 DT H2'' 1 27 DT H6 4.000 2.500 5.500 3.958 3.611 4.529 . 0 0 "[ . 1]" 1
640 1 27 DT H3' 1 27 DT H6 4.000 2.500 5.500 3.530 2.512 4.574 . 0 0 "[ . 1]" 1
641 1 27 DT H4' 1 27 DT H6 5.000 3.500 6.500 4.350 3.966 4.620 . 0 0 "[ . 1]" 1
642 1 27 DT H5' 1 27 DT H6 4.000 2.500 5.500 4.328 2.522 5.235 . 0 0 "[ . 1]" 1
643 1 27 DT H5'' 1 27 DT H6 4.000 2.500 5.500 3.846 2.500 5.204 . 0 0 "[ . 1]" 1
644 1 27 DT H6 1 28 DT C7 6.000 4.500 8.000 5.163 4.376 6.474 0.124 9 0 "[ . 1]" 1
645 1 28 DT C7 1 28 DT H1' 6.000 4.500 8.000 5.706 4.911 5.862 . 0 0 "[ . 1]" 1
646 1 28 DT H1' 1 28 DT H3' 4.000 2.500 5.500 3.785 3.727 3.873 . 0 0 "[ . 1]" 1
647 1 28 DT H1' 1 28 DT H4' 2.900 . 4.000 2.790 2.551 3.039 . 0 0 "[ . 1]" 1
648 1 28 DT C7 1 28 DT H3' 6.000 4.500 8.000 6.679 4.939 7.376 . 0 0 "[ . 1]" 1
649 1 28 DT H3' 1 28 DT Q5' 2.900 . 4.000 2.569 2.233 2.863 . 0 0 "[ . 1]" 1
650 1 27 DT H3' 1 28 DT H6 5.000 3.500 6.500 5.758 4.445 6.263 . 0 0 "[ . 1]" 1
651 1 27 DT H4' 1 28 DT H6 5.000 3.500 6.500 5.150 3.366 6.332 0.134 8 0 "[ . 1]" 1
652 1 28 DT C7 1 28 DT H6 2.900 . 4.500 2.674 2.659 2.694 . 0 0 "[ . 1]" 1
653 1 28 DT H1' 1 28 DT H6 4.000 2.500 5.500 3.538 2.331 3.762 0.169 4 0 "[ . 1]" 1
654 1 28 DT Q2' 1 28 DT H6 2.900 . 4.000 2.379 1.829 3.570 . 0 0 "[ . 1]" 1
655 1 28 DT H3' 1 28 DT H6 4.000 2.500 5.500 4.154 2.544 5.526 0.026 4 0 "[ . 1]" 1
656 1 28 DT H4' 1 28 DT H6 5.000 3.500 6.500 4.886 4.191 5.266 . 0 0 "[ . 1]" 1
657 1 28 DT Q5' 1 28 DT H6 5.000 3.500 6.500 4.618 3.597 5.813 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 360
_Distance_constraint_stats_list.Viol_total 209.718
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0418
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0328
_Distance_constraint_stats_list.Viol_average_violations_only 0.0583
_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 2 DG 1.816 0.144 1 0 "[ . 1]"
1 3 DG 1.708 0.115 3 0 "[ . 1]"
1 5 DG 3.360 0.164 5 0 "[ . 1]"
1 6 DG 2.479 0.115 3 0 "[ . 1]"
1 8 DG 4.090 0.185 9 0 "[ . 1]"
1 9 DG 3.069 0.200 8 0 "[ . 1]"
1 11 DG 2.546 0.185 9 0 "[ . 1]"
1 12 DG 2.298 0.200 8 0 "[ . 1]"
1 15 DG 2.498 0.134 2 0 "[ . 1]"
1 17 DG 2.486 0.190 10 0 "[ . 1]"
1 18 DG 2.928 0.134 2 0 "[ . 1]"
1 20 DG 2.668 0.189 9 0 "[ . 1]"
1 21 DG 3.475 0.139 7 0 "[ . 1]"
1 23 DG 1.829 0.189 9 0 "[ . 1]"
1 24 DG 3.045 0.139 7 0 "[ . 1]"
1 26 DG 1.648 0.190 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 DG H21 1 5 DG N7 1.990 . 2.090 1.943 1.770 2.174 0.120 6 0 "[ . 1]" 2
2 1 2 DG N2 1 5 DG N7 2.900 2.800 3.000 2.909 2.761 3.101 0.101 9 0 "[ . 1]" 2
3 1 2 DG H1 1 5 DG O6 1.950 . 2.050 1.890 1.794 2.060 0.056 9 0 "[ . 1]" 2
4 1 2 DG N1 1 5 DG O6 2.950 2.850 3.050 2.834 2.734 3.016 0.116 4 0 "[ . 1]" 2
5 1 5 DG H21 1 8 DG N7 1.990 . 2.090 1.812 1.726 1.884 0.164 5 0 "[ . 1]" 2
6 1 5 DG N2 1 8 DG N7 2.900 2.800 3.000 2.715 2.637 2.815 0.163 4 0 "[ . 1]" 2
7 1 5 DG H1 1 8 DG O6 1.950 . 2.050 1.937 1.702 2.115 0.148 6 0 "[ . 1]" 2
8 1 5 DG N1 1 8 DG O6 2.950 2.850 3.050 2.918 2.706 3.111 0.144 6 0 "[ . 1]" 2
9 1 8 DG H21 1 11 DG N7 1.990 . 2.090 1.901 1.799 2.062 0.091 4 0 "[ . 1]" 2
10 1 8 DG N2 1 11 DG N7 2.900 2.800 3.000 2.868 2.741 3.064 0.064 9 0 "[ . 1]" 2
11 1 8 DG H1 1 11 DG O6 1.950 . 2.050 2.100 1.841 2.235 0.185 9 0 "[ . 1]" 2
12 1 8 DG N1 1 11 DG O6 2.950 2.850 3.050 3.011 2.776 3.092 0.074 2 0 "[ . 1]" 2
13 1 2 DG N7 1 11 DG H21 1.990 . 2.090 1.956 1.826 2.147 0.064 7 0 "[ . 1]" 2
14 1 2 DG N7 1 11 DG N2 2.900 2.800 3.000 2.931 2.771 3.144 0.144 1 0 "[ . 1]" 2
15 1 2 DG O6 1 11 DG H1 1.950 . 2.050 1.903 1.792 2.000 0.058 2 0 "[ . 1]" 2
16 1 2 DG O6 1 11 DG N1 2.950 2.850 3.050 2.824 2.749 2.926 0.101 1 0 "[ . 1]" 2
17 1 3 DG H21 1 6 DG N7 1.990 . 2.090 1.838 1.778 1.933 0.112 4 0 "[ . 1]" 2
18 1 3 DG N2 1 6 DG N7 2.900 2.800 3.000 2.839 2.778 2.928 0.022 4 0 "[ . 1]" 2
19 1 3 DG H1 1 6 DG O6 1.950 . 2.050 1.949 1.819 2.110 0.060 8 0 "[ . 1]" 2
20 1 3 DG N1 1 6 DG O6 2.950 2.850 3.050 2.849 2.735 2.982 0.115 3 0 "[ . 1]" 2
21 1 6 DG H21 1 9 DG N7 1.990 . 2.090 1.847 1.777 1.964 0.113 1 0 "[ . 1]" 2
22 1 6 DG N2 1 9 DG N7 2.900 2.800 3.000 2.811 2.755 2.959 0.045 1 0 "[ . 1]" 2
23 1 6 DG H1 1 9 DG O6 1.950 . 2.050 1.842 1.793 1.998 0.057 5 0 "[ . 1]" 2
24 1 6 DG N1 1 9 DG O6 2.950 2.850 3.050 2.819 2.749 2.980 0.101 7 0 "[ . 1]" 2
25 1 9 DG H21 1 12 DG N7 1.990 . 2.090 1.784 1.690 1.944 0.200 8 0 "[ . 1]" 2
26 1 9 DG N2 1 12 DG N7 2.900 2.800 3.000 2.770 2.692 2.928 0.108 8 0 "[ . 1]" 2
27 1 9 DG H1 1 12 DG O6 1.950 . 2.050 1.968 1.846 2.063 0.013 8 0 "[ . 1]" 2
28 1 9 DG N1 1 12 DG O6 2.950 2.850 3.050 2.896 2.793 2.975 0.057 10 0 "[ . 1]" 2
29 1 3 DG N7 1 12 DG H21 1.990 . 2.090 1.865 1.788 2.075 0.102 1 0 "[ . 1]" 2
30 1 3 DG N7 1 12 DG N2 2.900 2.800 3.000 2.856 2.786 3.053 0.053 9 0 "[ . 1]" 2
31 1 3 DG O6 1 12 DG H1 1.950 . 2.050 1.988 1.854 2.076 0.026 7 0 "[ . 1]" 2
32 1 3 DG O6 1 12 DG N1 2.950 2.850 3.050 2.938 2.842 3.009 0.008 2 0 "[ . 1]" 2
33 1 15 DG H21 1 18 DG N7 1.990 . 2.090 1.892 1.756 2.050 0.134 2 0 "[ . 1]" 2
34 1 15 DG N2 1 18 DG N7 2.900 2.800 3.000 2.865 2.735 3.053 0.065 2 0 "[ . 1]" 2
35 1 15 DG H1 1 18 DG O6 1.950 . 2.050 1.810 1.766 1.903 0.084 3 0 "[ . 1]" 2
36 1 15 DG N1 1 18 DG O6 2.950 2.850 3.050 2.786 2.738 2.851 0.112 3 0 "[ . 1]" 2
37 1 18 DG H21 1 21 DG N7 1.990 . 2.090 1.864 1.801 1.952 0.089 9 0 "[ . 1]" 2
38 1 18 DG N2 1 21 DG N7 2.900 2.800 3.000 2.827 2.764 2.909 0.036 6 0 "[ . 1]" 2
39 1 18 DG H1 1 21 DG O6 1.950 . 2.050 1.848 1.747 2.047 0.103 10 0 "[ . 1]" 2
40 1 18 DG N1 1 21 DG O6 2.950 2.850 3.050 2.818 2.722 2.998 0.128 2 0 "[ . 1]" 2
41 1 21 DG H21 1 24 DG N7 1.990 . 2.090 1.856 1.751 1.988 0.139 7 0 "[ . 1]" 2
42 1 21 DG N2 1 24 DG N7 2.900 2.800 3.000 2.824 2.727 2.944 0.073 3 0 "[ . 1]" 2
43 1 21 DG H1 1 24 DG O6 1.950 . 2.050 1.790 1.749 1.859 0.101 2 0 "[ . 1]" 2
44 1 21 DG N1 1 24 DG O6 2.950 2.850 3.050 2.774 2.747 2.828 0.103 2 0 "[ . 1]" 2
45 1 15 DG N7 1 24 DG H21 1.990 . 2.090 1.836 1.788 1.924 0.102 10 0 "[ . 1]" 2
46 1 15 DG N7 1 24 DG N2 2.900 2.800 3.000 2.816 2.745 2.925 0.055 10 0 "[ . 1]" 2
47 1 15 DG O6 1 24 DG H1 1.950 . 2.050 1.890 1.826 2.001 0.024 1 0 "[ . 1]" 2
48 1 15 DG O6 1 24 DG N1 2.950 2.850 3.050 2.863 2.809 2.962 0.041 1 0 "[ . 1]" 2
49 1 17 DG H21 1 20 DG N7 1.990 . 2.090 1.867 1.749 2.045 0.141 1 0 "[ . 1]" 2
50 1 17 DG N2 1 20 DG N7 2.900 2.800 3.000 2.818 2.698 2.983 0.102 9 0 "[ . 1]" 2
51 1 17 DG H1 1 20 DG O6 1.950 . 2.050 1.889 1.761 2.110 0.089 3 0 "[ . 1]" 2
52 1 17 DG N1 1 20 DG O6 2.950 2.850 3.050 2.872 2.744 3.107 0.106 5 0 "[ . 1]" 2
53 1 20 DG H21 1 23 DG N7 1.990 . 2.090 1.915 1.780 2.198 0.110 6 0 "[ . 1]" 2
54 1 20 DG N2 1 23 DG N7 2.900 2.800 3.000 2.867 2.741 3.189 0.189 9 0 "[ . 1]" 2
55 1 20 DG H1 1 23 DG O6 1.950 . 2.050 1.995 1.945 2.064 0.014 10 0 "[ . 1]" 2
56 1 20 DG N1 1 23 DG O6 2.950 2.850 3.050 2.938 2.839 3.006 0.011 9 0 "[ . 1]" 2
57 1 23 DG H21 1 26 DG N7 1.990 . 2.090 2.013 1.844 2.150 0.060 8 0 "[ . 1]" 2
58 1 23 DG N2 1 26 DG N7 2.900 2.800 3.000 2.988 2.845 3.128 0.128 8 0 "[ . 1]" 2
59 1 23 DG H1 1 26 DG O6 1.950 . 2.050 1.936 1.781 2.057 0.069 2 0 "[ . 1]" 2
60 1 23 DG N1 1 26 DG O6 2.950 2.850 3.050 2.895 2.754 3.035 0.096 9 0 "[ . 1]" 2
61 1 17 DG N7 1 26 DG H21 1.990 . 2.090 2.016 1.795 2.280 0.190 10 0 "[ . 1]" 2
62 1 17 DG N7 1 26 DG N2 2.900 2.800 3.000 2.921 2.778 3.085 0.085 10 0 "[ . 1]" 2
63 1 17 DG O6 1 26 DG H1 1.950 . 2.050 1.981 1.811 2.060 0.039 1 0 "[ . 1]" 2
64 1 17 DG O6 1 26 DG N1 2.950 2.850 3.050 2.909 2.744 3.014 0.106 10 0 "[ . 1]" 2
stop_
save_
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