NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
566474 |
2mbj   |
19402 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mbj
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 48
_Distance_constraint_stats_list.Viol_count 131
_Distance_constraint_stats_list.Viol_total 21.608
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0094
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_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 4 DG 0.531 0.058 4 0 "[ . 1]"
1 5 DG 0.306 0.030 3 0 "[ . 1]"
1 6 DG 0.535 0.037 1 0 "[ . 1]"
1 10 DG 0.501 0.037 1 0 "[ . 1]"
1 11 DG 0.238 0.026 8 0 "[ . 1]"
1 12 DG 0.199 0.044 8 0 "[ . 1]"
1 16 DG 0.234 0.029 5 0 "[ . 1]"
1 17 DG 0.268 0.037 4 0 "[ . 1]"
1 18 DG 0.286 0.044 8 0 "[ . 1]"
1 22 BGM 0.618 0.058 4 0 "[ . 1]"
1 23 DG 0.336 0.037 4 0 "[ . 1]"
1 24 DG 0.268 0.029 5 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 4 DG H21 1 12 DG N7 2.000 . 2.200 1.956 1.848 2.100 . 0 0 "[ . 1]" 1
2 1 4 DG N2 1 12 DG N7 2.900 2.600 3.200 2.926 2.819 3.085 . 0 0 "[ . 1]" 1
3 1 4 DG H1 1 12 DG O6 2.000 . 2.200 2.138 1.968 2.238 0.038 1 0 "[ . 1]" 1
4 1 4 DG N1 1 12 DG O6 2.900 2.600 3.200 2.909 2.775 2.967 . 0 0 "[ . 1]" 1
5 1 12 DG H21 1 18 DG N7 2.000 . 2.200 1.994 1.756 2.200 0.044 8 0 "[ . 1]" 1
6 1 12 DG N2 1 18 DG N7 2.900 2.600 3.200 2.973 2.730 3.161 . 0 0 "[ . 1]" 1
7 1 12 DG H1 1 18 DG O6 2.000 . 2.200 2.133 1.879 2.238 0.038 8 0 "[ . 1]" 1
8 1 12 DG N1 1 18 DG O6 2.900 2.600 3.200 3.104 2.841 3.208 0.008 2 0 "[ . 1]" 1
9 1 18 DG H21 1 22 BGM N7 2.000 . 2.200 1.865 1.764 2.092 0.036 4 0 "[ . 1]" 1
10 1 18 DG N2 1 22 BGM N7 2.900 2.600 3.200 2.835 2.649 3.089 . 0 0 "[ . 1]" 1
11 1 18 DG H1 1 22 BGM O6 2.000 . 2.200 1.978 1.779 2.221 0.021 4 0 "[ . 1]" 1
12 1 18 DG N1 1 22 BGM O6 2.900 2.600 3.200 2.780 2.626 3.015 . 0 0 "[ . 1]" 1
13 1 4 DG N7 1 22 BGM H21 2.000 . 2.200 1.777 1.742 1.799 0.058 4 0 "[ . 1]" 1
14 1 4 DG N7 1 22 BGM N2 2.900 2.600 3.200 2.718 2.635 2.790 . 0 0 "[ . 1]" 1
15 1 4 DG O6 1 22 BGM H1 2.000 . 2.200 2.195 2.004 2.246 0.046 4 0 "[ . 1]" 1
16 1 4 DG O6 1 22 BGM N1 2.900 2.600 3.200 3.161 3.002 3.230 0.030 6 0 "[ . 1]" 1
17 1 5 DG H21 1 11 DG N7 2.000 . 2.200 1.953 1.786 2.120 0.014 5 0 "[ . 1]" 1
18 1 5 DG N2 1 11 DG N7 2.900 2.600 3.200 2.951 2.794 3.113 . 0 0 "[ . 1]" 1
19 1 5 DG H1 1 11 DG O6 2.000 . 2.200 2.198 2.046 2.226 0.026 8 0 "[ . 1]" 1
20 1 5 DG N1 1 11 DG O6 2.900 2.600 3.200 3.106 2.999 3.194 . 0 0 "[ . 1]" 1
21 1 11 DG H21 1 17 DG N7 2.000 . 2.200 1.846 1.794 2.013 0.006 1 0 "[ . 1]" 1
22 1 11 DG N2 1 17 DG N7 2.900 2.600 3.200 2.847 2.778 3.017 . 0 0 "[ . 1]" 1
23 1 11 DG H1 1 17 DG O6 2.000 . 2.200 2.195 2.122 2.221 0.021 1 0 "[ . 1]" 1
24 1 11 DG N1 1 17 DG O6 2.900 2.600 3.200 3.134 3.053 3.188 . 0 0 "[ . 1]" 1
25 1 17 DG H21 1 23 DG N7 2.000 . 2.200 2.101 1.917 2.209 0.009 9 0 "[ . 1]" 1
26 1 17 DG N2 1 23 DG N7 2.900 2.600 3.200 3.099 2.917 3.210 0.010 9 0 "[ . 1]" 1
27 1 17 DG H1 1 23 DG O6 2.000 . 2.200 2.204 2.108 2.237 0.037 4 0 "[ . 1]" 1
28 1 17 DG N1 1 23 DG O6 2.900 2.600 3.200 3.065 2.985 3.118 . 0 0 "[ . 1]" 1
29 1 5 DG N7 1 23 DG H21 2.000 . 2.200 2.015 1.878 2.202 0.002 4 0 "[ . 1]" 1
30 1 5 DG N7 1 23 DG N2 2.900 2.600 3.200 3.008 2.880 3.171 . 0 0 "[ . 1]" 1
31 1 5 DG O6 1 23 DG H1 2.000 . 2.200 2.086 1.834 2.230 0.030 3 0 "[ . 1]" 1
32 1 5 DG O6 1 23 DG N1 2.900 2.600 3.200 3.055 2.820 3.205 0.005 2 0 "[ . 1]" 1
33 1 6 DG H21 1 24 DG N7 2.000 . 2.200 1.881 1.796 1.967 0.004 9 0 "[ . 1]" 1
34 1 6 DG N2 1 24 DG N7 2.900 2.600 3.200 2.883 2.793 2.968 . 0 0 "[ . 1]" 1
35 1 6 DG H1 1 24 DG O6 2.000 . 2.200 2.157 1.965 2.219 0.019 10 0 "[ . 1]" 1
36 1 6 DG N1 1 24 DG O6 2.900 2.600 3.200 3.062 2.838 3.130 . 0 0 "[ . 1]" 1
37 1 16 DG N7 1 24 DG H21 2.000 . 2.200 1.793 1.771 1.919 0.029 5 0 "[ . 1]" 1
38 1 16 DG N7 1 24 DG N2 2.900 2.600 3.200 2.771 2.692 2.898 . 0 0 "[ . 1]" 1
39 1 16 DG O6 1 24 DG H1 2.000 . 2.200 1.960 1.785 2.154 0.015 5 0 "[ . 1]" 1
40 1 16 DG O6 1 24 DG N1 2.900 2.600 3.200 2.916 2.740 3.077 . 0 0 "[ . 1]" 1
41 1 10 DG N7 1 16 DG H21 2.000 . 2.200 2.086 2.016 2.166 . 0 0 "[ . 1]" 1
42 1 10 DG N7 1 16 DG N2 2.900 2.600 3.200 3.092 3.008 3.174 . 0 0 "[ . 1]" 1
43 1 10 DG O6 1 16 DG H1 2.000 . 2.200 2.105 2.001 2.208 0.008 8 0 "[ . 1]" 1
44 1 10 DG O6 1 16 DG N1 2.900 2.600 3.200 3.038 2.971 3.152 . 0 0 "[ . 1]" 1
45 1 6 DG N7 1 10 DG H21 2.000 . 2.200 2.215 2.182 2.233 0.033 6 0 "[ . 1]" 1
46 1 6 DG N7 1 10 DG N2 2.900 2.600 3.200 3.207 3.176 3.224 0.024 6 0 "[ . 1]" 1
47 1 6 DG O6 1 10 DG H1 2.000 . 2.200 2.208 2.150 2.237 0.037 1 0 "[ . 1]" 1
48 1 6 DG O6 1 10 DG N1 2.900 2.600 3.200 3.193 3.113 3.219 0.019 1 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 772
_Distance_constraint_stats_list.Viol_count 1232
_Distance_constraint_stats_list.Viol_total 1295.107
_Distance_constraint_stats_list.Viol_max 1.438
_Distance_constraint_stats_list.Viol_rms 0.0879
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.1051
_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 3.542 0.428 6 0 "[ . 1]"
1 2 DT 7.926 0.838 7 3 "[ - * + 1]"
1 3 DA 13.946 0.838 7 7 "[**- **+ *]"
1 4 DG 6.485 0.488 3 0 "[ . 1]"
1 5 DG 3.085 0.129 10 0 "[ . 1]"
1 6 DG 6.493 0.505 8 1 "[ . + 1]"
1 7 DT 4.291 0.505 8 1 "[ . + 1]"
1 8 DT 4.545 0.451 7 0 "[ . 1]"
1 9 DA 5.950 0.701 7 1 "[ . + 1]"
1 10 DG 1.576 0.146 8 0 "[ . 1]"
1 11 DG 0.244 0.052 5 0 "[ . 1]"
1 12 DG 1.004 0.111 4 0 "[ . 1]"
1 13 DT 0.583 0.083 1 0 "[ . 1]"
1 14 DT 3.939 0.520 4 1 "[ +. 1]"
1 15 DA 5.679 0.520 4 1 "[ +. 1]"
1 16 DG 1.993 0.130 5 0 "[ . 1]"
1 17 DG 1.494 0.128 9 0 "[ . 1]"
1 18 DG 3.447 0.149 8 0 "[ . 1]"
1 19 DT 2.560 0.149 8 0 "[ . 1]"
1 20 DT 1.690 0.116 5 0 "[ . 1]"
1 21 DA 5.835 0.347 7 0 "[ . 1]"
1 22 BGM 1.580 0.135 8 0 "[ . 1]"
1 23 DG 1.020 0.079 3 0 "[ . 1]"
1 24 DG 2.430 0.159 10 0 "[ . 1]"
1 25 DT 52.526 1.438 8 10 [-******+**]
1 26 DT 46.113 1.438 8 10 [-******+**]
1 27 DA 13.680 0.755 2 6 "[*+* - * *]"
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 1 DT H6 2.400 . 3.500 2.660 2.659 2.661 . 0 0 "[ . 1]" 2
2 1 1 DT H2' 1 1 DT H6 3.000 2.250 3.750 2.927 2.326 3.731 . 0 0 "[ . 1]" 2
3 1 1 DT H2'' 1 1 DT H6 3.800 2.850 4.750 4.130 3.820 4.407 . 0 0 "[ . 1]" 2
4 1 1 DT C7 1 1 DT H1' 6.000 4.500 8.000 5.793 5.748 5.827 . 0 0 "[ . 1]" 2
5 1 1 DT H1' 1 1 DT H2' 3.800 2.850 4.750 2.930 2.726 3.021 0.124 10 0 "[ . 1]" 2
6 1 1 DT H1' 1 1 DT H2'' 3.000 2.250 3.750 2.314 2.186 2.534 0.064 2 0 "[ . 1]" 2
7 1 1 DT H2' 1 1 DT H2'' 2.400 . 3.000 1.792 1.787 1.794 0.013 6 0 "[ . 1]" 2
8 1 1 DT H3' 1 1 DT H6 3.200 . 4.600 3.553 2.479 4.234 . 0 0 "[ . 1]" 2
9 1 1 DT H1' 1 1 DT H3' 4.800 3.600 6.000 3.858 3.848 3.877 . 0 0 "[ . 1]" 2
10 1 1 DT H1' 1 1 DT H6 3.000 2.250 3.750 3.681 3.625 3.724 . 0 0 "[ . 1]" 2
11 1 1 DT H2' 1 1 DT H3' 3.000 2.250 3.750 2.314 2.285 2.337 . 0 0 "[ . 1]" 2
12 1 1 DT H2'' 1 1 DT H3' 3.000 2.250 3.750 2.920 2.623 3.133 . 0 0 "[ . 1]" 2
13 1 1 DT H5' 1 1 DT H6 3.800 2.850 4.750 3.806 2.977 4.380 . 0 0 "[ . 1]" 2
14 1 1 DT H5'' 1 1 DT H6 3.800 2.850 4.750 4.381 3.324 4.850 0.100 4 0 "[ . 1]" 2
15 1 1 DT H4' 1 1 DT H6 4.800 3.600 6.000 4.257 3.724 4.574 . 0 0 "[ . 1]" 2
16 1 1 DT H1' 1 1 DT H4' 3.800 2.850 4.750 3.046 2.814 3.528 0.036 6 0 "[ . 1]" 2
17 1 1 DT H3' 1 1 DT Q5' 3.000 2.250 4.250 2.618 2.550 2.766 . 0 0 "[ . 1]" 2
18 1 1 DT H3' 1 1 DT H4' 3.000 2.250 3.750 2.949 2.909 3.017 . 0 0 "[ . 1]" 2
19 1 1 DT H4' 1 1 DT H5' 3.000 2.250 3.750 2.465 2.456 2.475 . 0 0 "[ . 1]" 2
20 1 1 DT H4' 1 1 DT H5'' 3.000 2.250 3.750 2.456 2.444 2.468 . 0 0 "[ . 1]" 2
21 1 1 DT H5' 1 1 DT H5'' 2.400 . 3.000 1.774 1.772 1.775 0.028 4 0 "[ . 1]" 2
22 1 1 DT H2' 1 1 DT H4' 4.800 3.600 6.000 3.893 3.885 3.901 . 0 0 "[ . 1]" 2
23 1 1 DT H2'' 1 1 DT H4' 3.800 2.850 4.750 3.528 3.013 3.791 . 0 0 "[ . 1]" 2
24 1 1 DT H2' 1 1 DT H5'' 6.000 4.500 7.500 4.562 4.387 4.904 0.113 9 0 "[ . 1]" 2
25 1 1 DT H2'' 1 1 DT Q5' 6.000 4.500 8.000 4.534 4.394 4.656 0.106 2 0 "[ . 1]" 2
26 1 1 DT H2' 1 1 DT H5' 6.000 4.500 7.500 4.854 4.600 5.299 . 0 0 "[ . 1]" 2
27 1 1 DT H2' 1 2 DT H6 4.800 3.600 6.000 5.623 4.590 6.155 0.155 6 0 "[ . 1]" 2
28 1 1 DT H2'' 1 2 DT H6 3.800 2.850 4.750 4.120 2.967 5.016 0.266 6 0 "[ . 1]" 2
29 1 1 DT H1' 1 2 DT C7 6.000 4.500 8.000 5.411 4.435 6.852 0.065 8 0 "[ . 1]" 2
30 1 1 DT H3' 1 2 DT H6 4.800 3.600 6.000 5.530 4.407 5.861 . 0 0 "[ . 1]" 2
31 1 1 DT H3' 1 2 DT C7 4.800 3.600 6.500 6.142 3.817 6.549 0.049 10 0 "[ . 1]" 2
32 1 1 DT H1' 1 2 DT Q5' 4.800 3.600 6.500 4.976 3.172 5.782 0.428 6 0 "[ . 1]" 2
33 1 1 DT H1' 1 3 DA H2 4.800 3.600 6.000 5.104 3.884 5.931 . 0 0 "[ . 1]" 2
34 1 1 DT H4' 1 3 DA H2 4.800 3.600 6.000 5.867 5.454 6.062 0.062 6 0 "[ . 1]" 2
35 1 1 DT C7 1 21 DA H8 6.000 4.500 8.000 6.898 5.377 7.930 . 0 0 "[ . 1]" 2
36 1 1 DT Q5' 1 21 DA H8 3.800 2.850 5.250 4.188 3.861 4.539 . 0 0 "[ . 1]" 2
37 1 1 DT H4' 1 21 DA H8 4.800 3.600 6.000 4.644 3.860 5.638 . 0 0 "[ . 1]" 2
38 1 2 DT C7 1 2 DT H6 2.400 . 3.500 2.661 2.659 2.663 . 0 0 "[ . 1]" 2
39 1 2 DT H2' 1 2 DT H6 2.400 . 3.000 2.201 2.166 2.340 . 0 0 "[ . 1]" 2
40 1 2 DT H2'' 1 2 DT H6 3.000 2.250 3.750 3.667 3.536 3.816 0.066 4 0 "[ . 1]" 2
41 1 2 DT C7 1 2 DT H1' 6.000 4.500 8.000 5.828 5.823 5.831 . 0 0 "[ . 1]" 2
42 1 2 DT H1' 1 2 DT H2' 3.800 2.850 4.750 3.013 2.986 3.025 . 0 0 "[ . 1]" 2
43 1 2 DT H1' 1 2 DT H2'' 3.000 2.250 3.750 2.280 2.147 2.401 0.103 6 0 "[ . 1]" 2
44 1 2 DT H2' 1 2 DT H2'' 2.400 . 3.000 1.790 1.787 1.793 0.013 4 0 "[ . 1]" 2
45 1 2 DT H3' 1 2 DT H6 3.000 2.250 3.750 3.812 3.452 3.972 0.222 7 0 "[ . 1]" 2
46 1 2 DT H1' 1 2 DT H3' 3.800 2.850 4.750 3.865 3.820 3.913 . 0 0 "[ . 1]" 2
47 1 2 DT C7 1 2 DT H3' 6.000 4.500 8.000 6.401 6.010 6.581 . 0 0 "[ . 1]" 2
48 1 2 DT H2' 1 2 DT H3' 3.000 2.250 3.750 2.310 2.280 2.363 . 0 0 "[ . 1]" 2
49 1 2 DT H2'' 1 2 DT H3' 3.000 2.250 3.750 2.895 2.688 3.038 . 0 0 "[ . 1]" 2
50 1 2 DT H5' 1 2 DT H6 3.800 2.850 4.750 4.321 3.139 4.825 0.075 1 0 "[ . 1]" 2
51 1 2 DT H5'' 1 2 DT H6 3.800 2.850 4.750 4.549 3.340 4.854 0.104 10 0 "[ . 1]" 2
52 1 2 DT H1' 1 2 DT H6 3.000 2.250 3.750 3.725 3.717 3.729 . 0 0 "[ . 1]" 2
53 1 2 DT H1' 1 2 DT H5' 4.800 3.600 6.000 4.615 4.516 4.877 . 0 0 "[ . 1]" 2
54 1 2 DT H1' 1 2 DT H5'' 4.800 3.600 6.000 4.874 4.485 5.028 . 0 0 "[ . 1]" 2
55 1 2 DT H1' 1 2 DT H4' 3.800 2.850 4.750 2.972 2.818 3.583 0.032 4 0 "[ . 1]" 2
56 1 2 DT H3' 1 2 DT Q5' 3.000 2.250 4.250 2.475 2.264 2.607 . 0 0 "[ . 1]" 2
57 1 2 DT H3' 1 2 DT H4' 3.000 2.250 3.750 2.886 2.707 2.969 . 0 0 "[ . 1]" 2
58 1 2 DT H4' 1 2 DT H5' 3.000 2.250 3.750 2.448 2.419 2.540 . 0 0 "[ . 1]" 2
59 1 2 DT H4' 1 2 DT H5'' 3.000 2.250 3.750 2.534 2.464 3.034 . 0 0 "[ . 1]" 2
60 1 2 DT H5' 1 2 DT H5'' 2.400 . 3.000 1.776 1.774 1.777 0.026 1 0 "[ . 1]" 2
61 1 2 DT H2' 1 2 DT H4' 4.800 3.600 6.000 3.884 3.822 3.902 . 0 0 "[ . 1]" 2
62 1 2 DT H2'' 1 2 DT H4' 3.800 2.850 4.750 3.829 3.550 4.101 . 0 0 "[ . 1]" 2
63 1 2 DT H2' 1 2 DT H5'' 4.800 3.600 6.000 4.164 3.529 4.612 0.071 1 0 "[ . 1]" 2
64 1 2 DT H2'' 1 2 DT H5'' 6.000 4.500 7.500 4.951 4.673 5.089 . 0 0 "[ . 1]" 2
65 1 2 DT H2' 1 2 DT H5' 4.800 3.600 6.000 4.520 3.946 4.918 . 0 0 "[ . 1]" 2
66 1 2 DT H2'' 1 2 DT H5' 6.000 4.500 7.500 5.307 4.919 5.400 . 0 0 "[ . 1]" 2
67 1 2 DT H2' 1 3 DA H8 4.800 3.600 6.000 5.526 4.297 6.220 0.220 9 0 "[ . 1]" 2
68 1 2 DT H2'' 1 3 DA H8 4.800 3.600 6.000 4.854 4.268 5.813 . 0 0 "[ . 1]" 2
69 1 2 DT H5' 1 3 DA H8 6.000 4.500 7.500 6.552 6.137 7.136 . 0 0 "[ . 1]" 2
70 1 2 DT H5'' 1 3 DA H8 6.000 4.500 7.500 6.133 4.636 7.506 0.006 5 0 "[ . 1]" 2
71 1 2 DT H4' 1 3 DA H8 4.800 3.600 6.000 5.012 3.927 5.514 . 0 0 "[ . 1]" 2
72 1 2 DT H1' 1 3 DA Q5' 4.800 3.600 6.500 3.996 2.876 5.704 0.724 5 2 "[ - + 1]" 2
73 1 2 DT H1' 1 3 DA H8 4.800 3.600 6.000 4.857 3.353 6.191 0.247 9 0 "[ . 1]" 2
74 1 2 DT H2' 1 3 DA Q5' 6.000 4.500 8.000 5.059 3.662 6.200 0.838 7 1 "[ . + 1]" 2
75 1 2 DT C7 1 3 DA H2 6.000 4.500 8.000 7.379 6.465 8.046 0.046 8 0 "[ . 1]" 2
76 1 2 DT C7 1 21 DA H8 6.000 4.500 8.000 7.049 5.935 8.004 0.004 5 0 "[ . 1]" 2
77 1 2 DT H1' 1 21 DA H2 6.000 4.500 7.500 7.093 4.499 7.574 0.074 10 0 "[ . 1]" 2
78 1 3 DA H2'' 1 3 DA H8 3.000 2.250 3.750 3.665 3.501 3.779 0.029 10 0 "[ . 1]" 2
79 1 3 DA H2' 1 3 DA H8 2.400 . 3.000 2.341 2.133 2.570 . 0 0 "[ . 1]" 2
80 1 3 DA H1' 1 3 DA H2'' 3.000 2.250 3.750 2.270 2.194 2.387 0.056 6 0 "[ . 1]" 2
81 1 3 DA H1' 1 3 DA H2' 3.800 2.850 4.750 3.022 3.012 3.031 . 0 0 "[ . 1]" 2
82 1 3 DA H1' 1 3 DA H2 6.000 4.500 7.500 4.481 4.447 4.528 0.053 2 0 "[ . 1]" 2
83 1 3 DA H2' 1 3 DA H2'' 2.400 . 3.000 1.791 1.787 1.795 0.013 3 0 "[ . 1]" 2
84 1 3 DA H3' 1 3 DA H8 3.800 2.850 4.750 4.301 4.135 4.491 . 0 0 "[ . 1]" 2
85 1 3 DA H1' 1 3 DA H3' 3.800 2.850 4.750 3.830 3.781 3.872 . 0 0 "[ . 1]" 2
86 1 3 DA H2'' 1 3 DA H3' 3.000 2.250 3.750 2.915 2.801 3.006 . 0 0 "[ . 1]" 2
87 1 3 DA H2' 1 3 DA H3' 3.000 2.250 3.750 2.327 2.297 2.381 . 0 0 "[ . 1]" 2
88 1 3 DA Q5' 1 3 DA H8 3.800 2.850 5.250 3.880 3.496 4.789 . 0 0 "[ . 1]" 2
89 1 3 DA H4' 1 3 DA H8 4.800 3.600 6.000 5.028 4.687 5.222 . 0 0 "[ . 1]" 2
90 1 3 DA H1' 1 3 DA Q5' 4.800 3.600 6.500 4.180 4.126 4.339 . 0 0 "[ . 1]" 2
91 1 3 DA H1' 1 3 DA H4' 3.800 2.850 4.750 2.973 2.827 3.524 0.023 9 0 "[ . 1]" 2
92 1 3 DA H3' 1 3 DA Q5' 3.000 2.250 4.250 2.308 2.243 2.519 0.007 5 0 "[ . 1]" 2
93 1 3 DA H3' 1 3 DA H4' 3.000 2.250 3.750 2.866 2.708 2.914 . 0 0 "[ . 1]" 2
94 1 3 DA H4' 1 3 DA Q5' 2.400 . 3.500 2.312 2.179 2.400 . 0 0 "[ . 1]" 2
95 1 3 DA H2'' 1 3 DA H4' 4.800 3.600 6.000 3.910 3.783 4.168 . 0 0 "[ . 1]" 2
96 1 3 DA H2' 1 3 DA H4' 4.800 3.600 6.000 3.865 3.799 3.897 . 0 0 "[ . 1]" 2
97 1 3 DA H2'' 1 3 DA Q5' 4.800 3.600 6.500 4.301 4.180 4.622 . 0 0 "[ . 1]" 2
98 1 3 DA H2' 1 3 DA Q5' 4.800 3.600 6.500 3.289 3.033 3.980 0.567 2 4 "[*+ .- *]" 2
99 1 3 DA H1' 1 3 DA H8 3.800 2.850 4.750 3.904 3.886 3.920 . 0 0 "[ . 1]" 2
100 1 3 DA H1' 1 4 DG Q5' 6.000 4.500 8.000 4.142 4.012 4.366 0.488 3 0 "[ . 1]" 2
101 1 3 DA H8 1 12 DG H2' 4.800 3.600 6.000 4.130 3.606 4.586 . 0 0 "[ . 1]" 2
102 1 3 DA H8 1 12 DG H2'' 4.800 3.600 6.000 5.215 4.884 5.818 . 0 0 "[ . 1]" 2
103 1 3 DA H2'' 1 12 DG H8 4.800 3.600 6.000 3.695 3.553 3.879 0.047 1 0 "[ . 1]" 2
104 1 3 DA H2' 1 12 DG H8 4.800 3.600 6.000 4.186 3.981 4.460 . 0 0 "[ . 1]" 2
105 1 3 DA H1' 1 12 DG H8 4.800 3.600 6.000 4.908 4.528 5.224 . 0 0 "[ . 1]" 2
106 1 3 DA H8 1 12 DG H8 3.800 2.850 4.750 4.509 3.740 4.785 0.035 10 0 "[ . 1]" 2
107 1 3 DA H8 1 12 DG H1' 6.000 4.500 7.500 6.903 6.612 7.405 . 0 0 "[ . 1]" 2
108 1 3 DA H1' 1 21 DA H2 6.000 4.500 7.500 4.557 4.402 4.797 0.098 7 0 "[ . 1]" 2
109 1 3 DA H2 1 21 DA H2 3.800 2.850 4.750 4.636 4.221 4.819 0.069 2 0 "[ . 1]" 2
110 1 3 DA H2 1 21 DA H8 4.800 3.600 6.000 5.479 4.863 5.974 . 0 0 "[ . 1]" 2
111 1 4 DG H2'' 1 4 DG H8 3.800 2.850 4.750 3.781 3.618 3.965 . 0 0 "[ . 1]" 2
112 1 4 DG H2' 1 4 DG H8 4.800 3.600 6.000 4.553 4.436 4.641 . 0 0 "[ . 1]" 2
113 1 4 DG H1' 1 4 DG H2'' 3.000 2.250 3.750 2.222 2.194 2.240 0.056 4 0 "[ . 1]" 2
114 1 4 DG H1' 1 4 DG H2' 3.800 2.850 4.750 3.029 3.027 3.032 . 0 0 "[ . 1]" 2
115 1 4 DG H2' 1 4 DG H2'' 2.400 . 3.000 1.793 1.792 1.793 0.008 4 0 "[ . 1]" 2
116 1 4 DG H3' 1 4 DG H8 4.800 3.600 6.000 6.069 6.031 6.109 0.109 8 0 "[ . 1]" 2
117 1 4 DG H1' 1 4 DG H3' 4.800 3.600 6.000 3.753 3.712 3.791 . 0 0 "[ . 1]" 2
118 1 4 DG H2'' 1 4 DG H3' 3.000 2.250 3.750 2.976 2.955 3.007 . 0 0 "[ . 1]" 2
119 1 4 DG H2' 1 4 DG H3' 2.400 . 3.000 2.347 2.327 2.372 . 0 0 "[ . 1]" 2
120 1 4 DG H4' 1 4 DG H8 4.800 3.600 6.000 5.250 5.143 5.378 . 0 0 "[ . 1]" 2
121 1 4 DG H1' 1 4 DG H4' 3.800 2.850 4.750 2.903 2.841 2.956 0.009 5 0 "[ . 1]" 2
122 1 4 DG H3' 1 4 DG H4' 2.400 . 3.000 2.856 2.827 2.880 . 0 0 "[ . 1]" 2
123 1 4 DG H1' 1 4 DG H8 2.400 . 3.000 2.573 2.562 2.585 . 0 0 "[ . 1]" 2
124 1 4 DG H2'' 1 4 DG H4' 4.800 3.600 6.000 3.976 3.914 4.048 . 0 0 "[ . 1]" 2
125 1 4 DG H2' 1 4 DG H4' 4.800 3.600 6.000 3.830 3.796 3.859 . 0 0 "[ . 1]" 2
126 1 4 DG H8 1 5 DG H3' 4.800 3.600 6.000 6.101 6.052 6.129 0.129 10 0 "[ . 1]" 2
127 1 4 DG H1' 1 5 DG H3' 4.800 3.600 6.000 5.202 5.040 5.343 . 0 0 "[ . 1]" 2
128 1 4 DG H8 1 5 DG H8 4.800 3.600 6.000 5.219 4.673 5.692 . 0 0 "[ . 1]" 2
129 1 4 DG H1' 1 21 DA H2 4.800 3.600 6.000 3.870 3.583 4.511 0.017 4 0 "[ . 1]" 2
130 1 4 DG H3' 1 21 DA H2 6.000 4.500 7.500 5.856 5.350 6.690 . 0 0 "[ . 1]" 2
131 1 4 DG H4' 1 21 DA H2 4.800 3.600 6.000 4.353 3.995 4.794 . 0 0 "[ . 1]" 2
132 1 4 DG H5' 1 21 DA H2 4.800 3.600 6.000 4.079 3.562 4.461 0.038 8 0 "[ . 1]" 2
133 1 4 DG H5'' 1 21 DA H2 4.800 3.600 6.000 5.472 4.898 6.034 0.034 7 0 "[ . 1]" 2
134 1 4 DG H8 1 21 DA H1' 4.800 3.600 6.000 3.677 3.569 3.848 0.031 8 0 "[ . 1]" 2
135 1 4 DG H8 1 21 DA H2 4.800 3.600 6.000 3.882 3.554 4.519 0.046 5 0 "[ . 1]" 2
136 1 5 DG H2'' 1 5 DG H8 3.800 2.850 4.750 3.928 3.566 4.494 . 0 0 "[ . 1]" 2
137 1 5 DG H2' 1 5 DG H8 5.500 3.500 7.500 4.492 4.431 4.566 . 0 0 "[ . 1]" 2
138 1 5 DG H1' 1 5 DG H2'' 3.000 2.250 3.750 2.303 2.159 2.565 0.091 5 0 "[ . 1]" 2
139 1 5 DG H1' 1 5 DG H2' 3.800 2.850 4.750 3.027 3.020 3.035 . 0 0 "[ . 1]" 2
140 1 5 DG H2' 1 5 DG H2'' 2.400 . 3.000 1.791 1.789 1.792 0.011 1 0 "[ . 1]" 2
141 1 5 DG H3' 1 5 DG H8 4.800 3.600 6.000 6.076 6.039 6.125 0.125 4 0 "[ . 1]" 2
142 1 5 DG H1' 1 5 DG H3' 5.500 3.500 7.500 3.800 3.778 3.835 . 0 0 "[ . 1]" 2
143 1 5 DG H2'' 1 5 DG H3' 3.000 2.250 3.750 2.844 2.448 3.058 . 0 0 "[ . 1]" 2
144 1 5 DG H2' 1 5 DG H3' 3.000 2.250 3.750 2.329 2.311 2.358 . 0 0 "[ . 1]" 2
145 1 5 DG H1' 1 5 DG H8 2.400 . 3.000 2.581 2.576 2.585 . 0 0 "[ . 1]" 2
146 1 5 DG H3' 1 5 DG H4' 3.000 2.250 3.750 2.859 2.767 2.916 . 0 0 "[ . 1]" 2
147 1 5 DG H2'' 1 5 DG H4' 4.800 3.600 6.000 3.890 3.815 4.031 . 0 0 "[ . 1]" 2
148 1 5 DG H2'' 1 6 DG H8 3.000 2.250 3.750 2.224 2.195 2.394 0.055 6 0 "[ . 1]" 2
149 1 5 DG H3' 1 6 DG H8 4.800 3.600 6.000 4.392 3.827 4.517 . 0 0 "[ . 1]" 2
150 1 5 DG H8 1 6 DG H3' 6.000 4.500 7.500 6.528 6.249 7.107 . 0 0 "[ . 1]" 2
151 1 5 DG H1' 1 6 DG H3' 6.000 4.500 7.500 5.584 5.265 5.849 . 0 0 "[ . 1]" 2
152 1 5 DG H1' 1 6 DG H8 4.800 3.600 6.000 4.197 3.966 4.521 . 0 0 "[ . 1]" 2
153 1 5 DG H2'' 1 6 DG H3' 6.000 4.500 7.500 4.724 4.608 4.884 . 0 0 "[ . 1]" 2
154 1 5 DG H8 1 6 DG H1' 4.800 3.600 6.000 4.587 4.206 4.903 . 0 0 "[ . 1]" 2
155 1 5 DG H8 1 6 DG Q5' 3.800 2.850 5.250 3.968 3.823 4.499 . 0 0 "[ . 1]" 2
156 1 5 DG H1' 1 6 DG H4' 4.800 3.600 6.000 4.246 3.897 4.570 . 0 0 "[ . 1]" 2
157 1 5 DG H2'' 1 6 DG H4' 6.000 4.500 7.500 4.560 4.433 4.834 0.067 9 0 "[ . 1]" 2
158 1 5 DG H8 1 6 DG H8 6.000 4.500 7.500 4.930 4.793 5.601 . 0 0 "[ . 1]" 2
159 1 5 DG H2'' 1 9 DA H8 6.000 4.500 7.500 5.154 4.687 5.630 . 0 0 "[ . 1]" 2
160 1 6 DG H2' 1 6 DG H8 2.400 . 3.000 2.351 2.245 2.437 . 0 0 "[ . 1]" 2
161 1 6 DG H2'' 1 6 DG H8 3.000 2.250 3.750 3.618 3.364 3.755 0.005 5 0 "[ . 1]" 2
162 1 6 DG H1' 1 6 DG H2' 3.800 2.850 4.750 3.027 3.023 3.039 . 0 0 "[ . 1]" 2
163 1 6 DG H1' 1 6 DG H2'' 3.000 2.250 3.750 2.207 2.159 2.290 0.091 8 0 "[ . 1]" 2
164 1 6 DG H2' 1 6 DG H2'' 2.400 . 3.000 1.792 1.790 1.794 0.010 1 0 "[ . 1]" 2
165 1 6 DG H3' 1 6 DG H8 3.800 2.850 4.750 4.370 4.276 4.445 . 0 0 "[ . 1]" 2
166 1 6 DG H1' 1 6 DG H3' 3.800 2.850 4.750 3.811 3.764 3.824 . 0 0 "[ . 1]" 2
167 1 6 DG H2' 1 6 DG H3' 3.000 2.250 3.750 2.351 2.312 2.386 . 0 0 "[ . 1]" 2
168 1 6 DG H2'' 1 6 DG H3' 3.000 2.250 3.750 2.955 2.933 3.005 . 0 0 "[ . 1]" 2
169 1 6 DG H1' 1 6 DG H8 3.800 2.850 4.750 3.911 3.901 3.920 . 0 0 "[ . 1]" 2
170 1 6 DG H5' 1 6 DG H8 4.800 3.600 6.000 4.375 4.283 4.680 . 0 0 "[ . 1]" 2
171 1 6 DG H5'' 1 6 DG H8 4.800 3.600 6.000 4.954 4.778 5.654 . 0 0 "[ . 1]" 2
172 1 6 DG H4' 1 6 DG H8 4.800 3.600 6.000 4.948 4.919 5.053 . 0 0 "[ . 1]" 2
173 1 6 DG H1' 1 6 DG H4' 3.000 2.250 3.750 3.132 2.731 3.239 . 0 0 "[ . 1]" 2
174 1 6 DG H3' 1 6 DG Q5' 3.000 2.250 4.250 2.486 2.417 2.801 . 0 0 "[ . 1]" 2
175 1 6 DG H3' 1 6 DG H4' 3.000 2.250 3.750 2.810 2.755 2.926 . 0 0 "[ . 1]" 2
176 1 6 DG H4' 1 6 DG Q5' 2.400 . 3.500 2.190 2.172 2.193 . 0 0 "[ . 1]" 2
177 1 6 DG H2' 1 6 DG H4' 4.800 3.600 6.000 3.830 3.767 3.864 . 0 0 "[ . 1]" 2
178 1 6 DG H2'' 1 6 DG H4' 3.800 2.850 4.750 4.039 3.781 4.139 . 0 0 "[ . 1]" 2
179 1 6 DG H2'' 1 7 DT H6 6.000 4.500 7.500 4.650 4.440 5.505 0.060 1 0 "[ . 1]" 2
180 1 6 DG H1' 1 7 DT C7 4.800 3.600 6.500 5.931 5.270 6.729 0.229 8 0 "[ . 1]" 2
181 1 6 DG H1' 1 7 DT H6 4.800 3.600 6.000 5.112 4.573 5.622 . 0 0 "[ . 1]" 2
182 1 6 DG H3' 1 7 DT H6 4.800 3.600 6.000 5.489 5.315 5.822 . 0 0 "[ . 1]" 2
183 1 6 DG H1' 1 7 DT H3' 4.800 3.600 6.000 5.741 5.111 5.957 . 0 0 "[ . 1]" 2
184 1 6 DG H3' 1 7 DT C7 6.000 4.500 8.000 6.983 6.818 7.414 . 0 0 "[ . 1]" 2
185 1 6 DG H8 1 7 DT Q5' 4.800 3.600 6.500 5.793 5.745 5.872 . 0 0 "[ . 1]" 2
186 1 6 DG H1' 1 7 DT Q5' 4.800 3.600 6.500 5.157 4.805 5.400 . 0 0 "[ . 1]" 2
187 1 6 DG H3' 1 7 DT Q5' 5.500 3.500 8.000 3.245 2.995 3.559 0.505 8 1 "[ . + 1]" 2
188 1 6 DG H2' 1 7 DT H4' 6.000 4.500 7.500 6.408 6.299 6.549 . 0 0 "[ . 1]" 2
189 1 6 DG H2'' 1 7 DT H4' 4.800 3.600 6.000 5.662 5.518 5.905 . 0 0 "[ . 1]" 2
190 1 6 DG H4' 1 7 DT C7 4.800 3.600 6.500 6.388 5.848 6.518 0.018 8 0 "[ . 1]" 2
191 1 6 DG H2' 1 7 DT Q5' 5.500 3.500 8.000 3.793 3.689 3.864 . 0 0 "[ . 1]" 2
192 1 6 DG H2'' 1 7 DT H5'' 4.800 3.600 6.000 3.575 3.543 3.668 0.057 3 0 "[ . 1]" 2
193 1 6 DG H2'' 1 7 DT H5' 4.800 3.600 6.000 4.417 3.963 5.137 . 0 0 "[ . 1]" 2
194 1 6 DG H2' 1 9 DA H8 3.800 2.850 4.750 2.736 2.695 2.775 0.155 3 0 "[ . 1]" 2
195 1 6 DG H8 1 9 DA H2' 4.800 3.600 6.000 3.683 3.541 4.216 0.059 7 0 "[ . 1]" 2
196 1 6 DG H3' 1 9 DA H8 4.800 3.600 6.000 4.550 4.469 4.622 . 0 0 "[ . 1]" 2
197 1 6 DG H8 1 9 DA H3' 6.000 4.500 7.500 5.681 5.538 6.104 . 0 0 "[ . 1]" 2
198 1 6 DG H8 1 9 DA H1' 4.800 3.600 6.000 4.122 3.869 4.351 . 0 0 "[ . 1]" 2
199 1 6 DG H1' 1 9 DA H8 4.800 3.600 6.000 5.255 5.082 5.454 . 0 0 "[ . 1]" 2
200 1 6 DG H8 1 9 DA H8 3.800 2.850 4.750 3.303 3.048 3.531 . 0 0 "[ . 1]" 2
201 1 7 DT C7 1 7 DT H6 2.400 . 3.500 2.657 2.645 2.661 . 0 0 "[ . 1]" 2
202 1 7 DT H2' 1 7 DT H6 2.400 . 3.000 2.198 2.182 2.266 . 0 0 "[ . 1]" 2
203 1 7 DT H2'' 1 7 DT H6 3.000 2.250 3.750 3.647 3.617 3.710 . 0 0 "[ . 1]" 2
204 1 7 DT C7 1 7 DT H1' 6.000 4.500 8.000 5.831 5.823 5.834 . 0 0 "[ . 1]" 2
205 1 7 DT H1' 1 7 DT H2' 3.000 2.250 3.750 3.028 3.018 3.030 . 0 0 "[ . 1]" 2
206 1 7 DT H1' 1 7 DT H2'' 3.000 2.250 3.750 2.367 2.245 2.412 0.005 1 0 "[ . 1]" 2
207 1 7 DT H1' 1 7 DT H6 3.000 2.250 3.750 3.732 3.722 3.735 . 0 0 "[ . 1]" 2
208 1 7 DT H2' 1 7 DT H2'' 3.200 . 4.600 1.793 1.790 1.794 0.010 8 0 "[ . 1]" 2
209 1 7 DT H3' 1 7 DT H6 3.800 2.850 4.750 4.056 3.847 4.121 . 0 0 "[ . 1]" 2
210 1 7 DT H1' 1 7 DT H3' 3.800 2.850 4.750 3.807 3.784 3.866 . 0 0 "[ . 1]" 2
211 1 7 DT H2' 1 7 DT H3' 3.000 2.250 3.750 2.338 2.311 2.348 . 0 0 "[ . 1]" 2
212 1 7 DT H2'' 1 7 DT H3' 3.000 2.250 3.750 2.810 2.752 2.952 . 0 0 "[ . 1]" 2
213 1 7 DT H5' 1 7 DT H6 3.800 2.850 4.750 4.401 4.220 4.578 . 0 0 "[ . 1]" 2
214 1 7 DT H5'' 1 7 DT H6 3.800 2.850 4.750 4.745 4.549 4.897 0.147 1 0 "[ . 1]" 2
215 1 7 DT H4' 1 7 DT H6 4.800 3.600 6.000 4.651 4.607 4.678 . 0 0 "[ . 1]" 2
216 1 7 DT H1' 1 7 DT H5' 6.000 4.500 7.500 4.632 4.545 4.690 . 0 0 "[ . 1]" 2
217 1 7 DT H1' 1 7 DT H5'' 6.000 4.500 7.500 4.887 4.870 4.902 . 0 0 "[ . 1]" 2
218 1 7 DT H1' 1 7 DT H4' 3.000 2.250 3.750 2.973 2.895 3.009 . 0 0 "[ . 1]" 2
219 1 7 DT H3' 1 7 DT H5' 3.000 2.250 3.750 3.631 3.596 3.637 . 0 0 "[ . 1]" 2
220 1 7 DT H3' 1 7 DT H5'' 3.000 2.250 3.750 2.443 2.311 2.633 . 0 0 "[ . 1]" 2
221 1 7 DT H3' 1 7 DT H4' 3.000 2.250 3.750 2.857 2.839 2.886 . 0 0 "[ . 1]" 2
222 1 7 DT H4' 1 7 DT Q5' 2.400 . 3.500 2.185 2.177 2.187 . 0 0 "[ . 1]" 2
223 1 7 DT H5' 1 7 DT H5'' 2.400 . 3.000 1.775 1.774 1.776 0.026 1 0 "[ . 1]" 2
224 1 7 DT H2' 1 7 DT H4' 4.800 3.600 6.000 3.857 3.844 3.894 . 0 0 "[ . 1]" 2
225 1 7 DT H2'' 1 7 DT H4' 3.800 2.850 4.750 3.935 3.837 3.968 . 0 0 "[ . 1]" 2
226 1 7 DT H2' 1 8 DT H6 6.000 4.500 7.500 5.207 4.701 5.637 . 0 0 "[ . 1]" 2
227 1 7 DT H2'' 1 8 DT H6 4.800 3.600 6.000 4.853 4.699 5.054 . 0 0 "[ . 1]" 2
228 1 7 DT H1' 1 8 DT C7 6.000 4.500 8.000 7.290 6.853 7.735 . 0 0 "[ . 1]" 2
229 1 7 DT H2'' 1 8 DT C7 6.000 4.500 8.000 5.020 4.546 5.478 . 0 0 "[ . 1]" 2
230 1 7 DT H3' 1 8 DT H6 4.800 3.600 6.000 3.704 3.535 4.125 0.065 6 0 "[ . 1]" 2
231 1 7 DT H3' 1 8 DT C7 6.000 4.500 8.000 4.928 4.442 5.272 0.058 7 0 "[ . 1]" 2
232 1 7 DT H4' 1 8 DT H6 4.800 3.600 6.000 5.962 5.804 6.081 0.081 9 0 "[ . 1]" 2
233 1 7 DT H4' 1 8 DT Q5' 4.800 3.600 6.500 4.302 3.710 4.721 . 0 0 "[ . 1]" 2
234 1 7 DT H3' 1 9 DA H8 6.000 4.500 7.500 4.845 4.684 5.228 . 0 0 "[ . 1]" 2
235 1 7 DT H5' 1 9 DA H8 4.800 3.600 6.000 5.477 5.204 5.780 . 0 0 "[ . 1]" 2
236 1 7 DT H5'' 1 9 DA H8 4.800 3.600 6.000 4.028 3.768 4.321 . 0 0 "[ . 1]" 2
237 1 8 DT H2' 1 8 DT H6 3.000 2.250 3.750 2.277 2.185 2.605 0.065 9 0 "[ . 1]" 2
238 1 8 DT C7 1 8 DT H6 2.400 . 3.500 2.660 2.658 2.663 . 0 0 "[ . 1]" 2
239 1 8 DT H2'' 1 8 DT H6 3.000 2.250 3.750 3.704 3.601 3.810 0.060 7 0 "[ . 1]" 2
240 1 8 DT H1' 1 8 DT H2' 3.800 2.850 4.750 3.022 3.005 3.028 . 0 0 "[ . 1]" 2
241 1 8 DT C7 1 8 DT H1' 6.000 4.500 8.000 5.829 5.813 5.834 . 0 0 "[ . 1]" 2
242 1 8 DT H1' 1 8 DT H2'' 3.000 2.250 3.750 2.316 2.202 2.455 0.048 7 0 "[ . 1]" 2
243 1 8 DT H2' 1 8 DT H2'' 2.400 . 3.000 1.792 1.787 1.794 0.013 9 0 "[ . 1]" 2
244 1 8 DT C7 1 8 DT H2' 4.800 3.600 6.500 4.629 4.542 4.871 . 0 0 "[ . 1]" 2
245 1 8 DT H3' 1 8 DT H6 3.800 2.850 4.750 4.087 3.867 4.339 . 0 0 "[ . 1]" 2
246 1 8 DT H5' 1 8 DT H6 3.800 2.850 4.750 3.854 3.630 4.257 . 0 0 "[ . 1]" 2
247 1 8 DT H5'' 1 8 DT H6 3.800 2.850 4.750 4.391 4.093 4.823 0.073 4 0 "[ . 1]" 2
248 1 8 DT H4' 1 8 DT H6 4.800 3.600 6.000 4.494 4.419 4.632 . 0 0 "[ . 1]" 2
249 1 8 DT H1' 1 8 DT H6 3.800 2.850 4.750 3.728 3.707 3.736 . 0 0 "[ . 1]" 2
250 1 8 DT H4' 1 8 DT H5' 2.400 . 3.000 2.441 2.423 2.480 . 0 0 "[ . 1]" 2
251 1 8 DT H4' 1 8 DT H5'' 2.400 . 3.000 2.475 2.432 2.498 . 0 0 "[ . 1]" 2
252 1 8 DT H2' 1 8 DT H4' 4.800 3.600 6.000 3.834 3.808 3.882 . 0 0 "[ . 1]" 2
253 1 8 DT H2'' 1 8 DT H4' 4.800 3.600 6.000 4.032 3.880 4.127 . 0 0 "[ . 1]" 2
254 1 8 DT H2' 1 8 DT Q5' 4.800 3.600 6.500 3.578 3.396 3.868 0.204 10 0 "[ . 1]" 2
255 1 8 DT H2'' 1 8 DT Q5' 4.800 3.600 6.500 4.496 4.361 4.607 . 0 0 "[ . 1]" 2
256 1 8 DT H2' 1 9 DA H8 4.800 3.600 6.000 3.488 3.453 3.560 0.147 1 0 "[ . 1]" 2
257 1 8 DT H2'' 1 9 DA H8 3.800 2.850 4.750 3.076 2.810 3.997 0.040 3 0 "[ . 1]" 2
258 1 8 DT C7 1 9 DA H2 6.000 4.500 8.000 6.201 5.665 6.880 . 0 0 "[ . 1]" 2
259 1 8 DT H2'' 1 9 DA H1' 6.000 4.500 7.500 4.492 4.383 4.654 0.117 9 0 "[ . 1]" 2
260 1 8 DT H3' 1 9 DA H8 3.800 2.850 4.750 4.275 3.914 4.730 . 0 0 "[ . 1]" 2
261 1 8 DT H1' 1 9 DA H8 4.800 3.600 6.000 5.333 5.011 6.069 0.069 7 0 "[ . 1]" 2
262 1 8 DT H2'' 1 9 DA H3' 6.000 4.500 7.500 4.941 4.661 5.334 . 0 0 "[ . 1]" 2
263 1 8 DT Q5' 1 9 DA H8 6.000 4.500 8.000 6.133 5.949 6.357 . 0 0 "[ . 1]" 2
264 1 8 DT H2'' 1 9 DA H4' 4.800 3.600 6.000 4.393 3.970 4.616 . 0 0 "[ . 1]" 2
265 1 8 DT H6 1 9 DA H8 4.800 3.600 6.000 5.388 5.282 5.638 . 0 0 "[ . 1]" 2
266 1 8 DT H2'' 1 9 DA Q5' 3.800 2.850 5.250 3.090 2.669 3.373 0.181 4 0 "[ . 1]" 2
267 1 8 DT H2' 1 9 DA Q5' 6.000 4.500 8.000 4.543 4.049 4.798 0.451 7 0 "[ . 1]" 2
268 1 8 DT H1' 1 9 DA H4' 4.800 3.600 6.000 4.928 4.630 5.536 . 0 0 "[ . 1]" 2
269 1 8 DT C7 1 25 DT H6 6.000 4.500 8.000 6.812 6.277 7.247 . 0 0 "[ . 1]" 2
270 1 8 DT C7 1 25 DT C7 3.200 . 5.600 5.453 5.014 5.632 0.032 9 0 "[ . 1]" 2
271 1 8 DT H6 1 26 DT C7 6.000 4.500 8.000 6.486 5.476 7.433 . 0 0 "[ . 1]" 2
272 1 8 DT C7 1 26 DT C7 5.500 3.500 8.500 4.255 3.514 5.047 . 0 0 "[ . 1]" 2
273 1 8 DT C7 1 27 DA H2 6.000 4.500 8.000 7.035 6.478 7.589 . 0 0 "[ . 1]" 2
274 1 9 DA H2'' 1 9 DA H8 3.000 2.250 3.750 3.193 2.776 3.405 . 0 0 "[ . 1]" 2
275 1 9 DA H2' 1 9 DA H8 2.400 . 3.000 2.154 2.126 2.205 . 0 0 "[ . 1]" 2
276 1 9 DA H1' 1 9 DA H2 4.800 3.600 6.000 4.563 4.490 4.797 . 0 0 "[ . 1]" 2
277 1 9 DA H1' 1 9 DA H2'' 3.000 2.250 3.750 2.199 2.192 2.217 0.058 7 0 "[ . 1]" 2
278 1 9 DA H1' 1 9 DA H2' 3.800 2.850 4.750 3.030 3.027 3.032 . 0 0 "[ . 1]" 2
279 1 9 DA H2' 1 9 DA H2'' 2.400 . 3.000 1.792 1.792 1.793 0.008 8 0 "[ . 1]" 2
280 1 9 DA H3' 1 9 DA H8 3.800 2.850 4.750 4.410 4.338 4.518 . 0 0 "[ . 1]" 2
281 1 9 DA H1' 1 9 DA H3' 3.800 2.850 4.750 3.794 3.780 3.820 . 0 0 "[ . 1]" 2
282 1 9 DA H2'' 1 9 DA H3' 3.000 2.250 3.750 2.963 2.932 2.985 . 0 0 "[ . 1]" 2
283 1 9 DA H2' 1 9 DA H3' 3.000 2.250 3.750 2.360 2.350 2.373 . 0 0 "[ . 1]" 2
284 1 9 DA H5' 1 9 DA H8 4.800 3.600 6.000 5.053 4.774 5.498 . 0 0 "[ . 1]" 2
285 1 9 DA H5'' 1 9 DA H8 4.800 3.600 6.000 5.092 3.679 5.493 . 0 0 "[ . 1]" 2
286 1 9 DA H4' 1 9 DA H8 4.800 3.600 6.000 5.235 5.096 5.490 . 0 0 "[ . 1]" 2
287 1 9 DA H1' 1 9 DA H4' 3.800 2.850 4.750 3.145 3.045 3.245 . 0 0 "[ . 1]" 2
288 1 9 DA H1' 1 9 DA H8 3.800 2.850 4.750 3.858 3.719 3.896 . 0 0 "[ . 1]" 2
289 1 9 DA H3' 1 9 DA Q5' 3.000 2.250 4.250 2.401 2.281 2.435 . 0 0 "[ . 1]" 2
290 1 9 DA H3' 1 9 DA H4' 3.000 2.250 3.750 2.800 2.768 2.835 . 0 0 "[ . 1]" 2
291 1 9 DA H4' 1 9 DA H5' 2.400 . 3.000 2.420 2.401 2.430 . 0 0 "[ . 1]" 2
292 1 9 DA H4' 1 9 DA H5'' 2.400 . 3.000 2.549 2.485 3.034 0.034 7 0 "[ . 1]" 2
293 1 9 DA H2'' 1 9 DA H4' 5.500 3.500 7.500 4.070 4.009 4.121 . 0 0 "[ . 1]" 2
294 1 9 DA H2' 1 9 DA H4' 5.500 3.500 7.500 3.821 3.794 3.847 . 0 0 "[ . 1]" 2
295 1 9 DA H2'' 1 9 DA Q5' 4.800 3.600 6.500 4.493 4.139 4.573 . 0 0 "[ . 1]" 2
296 1 9 DA H2' 1 9 DA Q5' 4.800 3.600 6.500 3.479 2.899 3.639 0.701 7 1 "[ . + 1]" 2
297 1 9 DA H2 1 15 DA H2 4.800 3.600 6.000 4.638 4.362 4.969 . 0 0 "[ . 1]" 2
298 1 9 DA H2 1 27 DA H1' 6.000 4.500 7.500 7.341 7.131 7.520 0.020 2 0 "[ . 1]" 2
299 1 9 DA H2 1 27 DA H2 3.800 2.850 4.750 4.021 3.500 4.304 . 0 0 "[ . 1]" 2
300 1 10 DG H2'' 1 10 DG H8 4.800 3.600 6.000 3.760 3.581 4.596 0.019 6 0 "[ . 1]" 2
301 1 10 DG H2' 1 10 DG H8 4.800 3.600 6.000 4.411 4.354 4.480 . 0 0 "[ . 1]" 2
302 1 10 DG H1' 1 10 DG H2'' 3.000 2.250 3.750 2.244 2.194 2.594 0.056 4 0 "[ . 1]" 2
303 1 10 DG H1' 1 10 DG H2' 3.800 2.850 4.750 3.023 3.002 3.028 . 0 0 "[ . 1]" 2
304 1 10 DG H2' 1 10 DG H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 8 0 "[ . 1]" 2
305 1 10 DG H3' 1 10 DG H8 4.800 3.600 6.000 6.059 6.015 6.146 0.146 8 0 "[ . 1]" 2
306 1 10 DG H1' 1 10 DG H3' 4.800 3.600 6.000 3.830 3.808 3.908 . 0 0 "[ . 1]" 2
307 1 10 DG H2'' 1 10 DG H3' 3.000 2.250 3.750 2.906 2.359 2.991 . 0 0 "[ . 1]" 2
308 1 10 DG H2' 1 10 DG H3' 2.400 . 3.000 2.336 2.324 2.366 . 0 0 "[ . 1]" 2
309 1 10 DG H1' 1 10 DG H4' 3.800 2.850 4.750 3.078 2.904 3.584 . 0 0 "[ . 1]" 2
310 1 10 DG H3' 1 10 DG H4' 3.000 2.250 3.750 2.833 2.700 2.881 . 0 0 "[ . 1]" 2
311 1 10 DG H1' 1 10 DG H8 2.400 . 3.000 2.588 2.577 2.595 . 0 0 "[ . 1]" 2
312 1 10 DG H2'' 1 10 DG H4' 4.800 3.600 6.000 3.962 3.903 4.146 . 0 0 "[ . 1]" 2
313 1 10 DG H2' 1 10 DG H4' 4.800 3.600 6.000 3.851 3.797 3.869 . 0 0 "[ . 1]" 2
314 1 10 DG H2'' 1 11 DG H8 3.200 . 4.600 2.228 2.185 2.506 . 0 0 "[ . 1]" 2
315 1 10 DG H2' 1 11 DG H8 3.000 2.250 3.750 2.524 2.344 2.821 . 0 0 "[ . 1]" 2
316 1 10 DG H8 1 11 DG Q2' 5.500 3.500 8.000 5.049 4.785 5.140 . 0 0 "[ . 1]" 2
317 1 10 DG H3' 1 11 DG H8 5.500 3.500 7.500 4.298 4.153 4.800 . 0 0 "[ . 1]" 2
318 1 10 DG H8 1 11 DG H3' 4.800 3.600 6.000 6.017 5.986 6.052 0.052 5 0 "[ . 1]" 2
319 1 10 DG H1' 1 11 DG H3' 4.800 3.600 6.000 5.387 4.876 5.557 . 0 0 "[ . 1]" 2
320 1 10 DG H1' 1 11 DG H8 3.800 2.850 4.750 4.102 3.688 4.218 . 0 0 "[ . 1]" 2
321 1 10 DG H8 1 11 DG H1' 3.800 2.850 4.750 3.587 2.902 3.834 . 0 0 "[ . 1]" 2
322 1 10 DG H8 1 11 DG H8 4.800 3.600 6.000 4.520 4.266 4.689 . 0 0 "[ . 1]" 2
323 1 10 DG H8 1 14 DT H1' 4.800 3.600 6.000 5.608 4.989 6.009 0.009 3 0 "[ . 1]" 2
324 1 10 DG H8 1 15 DA H2' 3.800 2.850 4.750 3.004 2.840 3.295 0.010 7 0 "[ . 1]" 2
325 1 10 DG H8 1 15 DA H2'' 4.800 3.600 6.000 3.823 3.569 4.317 0.031 3 0 "[ . 1]" 2
326 1 10 DG H8 1 15 DA H3' 4.800 3.600 6.000 5.089 4.932 5.443 . 0 0 "[ . 1]" 2
327 1 10 DG H8 1 15 DA Q5' 4.800 3.600 6.500 5.290 5.004 5.582 . 0 0 "[ . 1]" 2
328 1 10 DG H8 1 15 DA H8 3.800 2.850 4.750 4.483 4.356 4.696 . 0 0 "[ . 1]" 2
329 1 11 DG Q2' 1 11 DG H8 3.200 . 5.100 2.784 2.561 3.377 . 0 0 "[ . 1]" 2
330 1 11 DG H1' 1 11 DG Q2' 3.200 . 5.100 2.309 2.134 2.360 . 0 0 "[ . 1]" 2
331 1 11 DG H3' 1 11 DG H8 5.500 3.500 7.500 4.314 4.204 4.474 . 0 0 "[ . 1]" 2
332 1 11 DG H1' 1 11 DG H3' 3.800 2.850 4.750 3.857 3.800 3.894 . 0 0 "[ . 1]" 2
333 1 11 DG Q2' 1 11 DG H3' 3.200 . 5.100 2.200 2.182 2.260 . 0 0 "[ . 1]" 2
334 1 11 DG H1' 1 11 DG H8 5.500 3.500 7.500 3.893 3.777 3.918 . 0 0 "[ . 1]" 2
335 1 11 DG H1' 1 14 DT H1' 6.000 4.500 7.500 5.158 4.494 5.765 0.006 2 0 "[ . 1]" 2
336 1 12 DG H2' 1 12 DG H8 3.000 2.250 3.750 2.559 2.427 2.697 . 0 0 "[ . 1]" 2
337 1 12 DG H1' 1 12 DG H2' 3.800 2.850 4.750 3.024 3.008 3.028 . 0 0 "[ . 1]" 2
338 1 12 DG H1' 1 12 DG H2'' 3.000 2.250 3.750 2.410 2.354 2.429 . 0 0 "[ . 1]" 2
339 1 12 DG H2' 1 12 DG H2'' 2.400 . 3.000 1.793 1.790 1.794 0.010 1 0 "[ . 1]" 2
340 1 12 DG H3' 1 12 DG H8 5.500 3.500 7.500 4.404 4.166 4.506 . 0 0 "[ . 1]" 2
341 1 12 DG H1' 1 12 DG H3' 4.800 3.600 6.000 3.824 3.796 3.891 . 0 0 "[ . 1]" 2
342 1 12 DG H2' 1 12 DG H3' 3.000 2.250 3.750 2.342 2.294 2.370 . 0 0 "[ . 1]" 2
343 1 12 DG H2'' 1 12 DG H3' 3.000 2.250 3.750 2.739 2.674 2.872 . 0 0 "[ . 1]" 2
344 1 12 DG H1' 1 12 DG H8 4.800 3.600 6.000 3.915 3.903 3.920 . 0 0 "[ . 1]" 2
345 1 12 DG H1' 1 12 DG H4' 3.800 2.850 4.750 3.083 2.739 3.305 0.111 4 0 "[ . 1]" 2
346 1 12 DG H3' 1 12 DG H4' 3.000 2.250 3.750 2.830 2.760 2.924 . 0 0 "[ . 1]" 2
347 1 12 DG H2'' 1 12 DG H4' 4.800 3.600 6.000 3.948 3.769 4.055 . 0 0 "[ . 1]" 2
348 1 12 DG H3' 1 13 DT H3' 3.800 2.850 4.750 3.668 3.361 4.611 . 0 0 "[ . 1]" 2
349 1 12 DG H3' 1 13 DT C7 6.000 4.500 8.000 5.410 4.428 6.126 0.072 1 0 "[ . 1]" 2
350 1 12 DG H4' 1 13 DT H6 4.800 3.600 6.000 5.757 3.969 6.071 0.071 10 0 "[ . 1]" 2
351 1 12 DG H4' 1 13 DT H4' 4.800 3.600 6.000 5.452 4.750 5.780 . 0 0 "[ . 1]" 2
352 1 12 DG H1' 1 14 DT H6 6.000 4.500 7.500 5.709 4.998 6.276 . 0 0 "[ . 1]" 2
353 1 12 DG H1' 1 14 DT C7 3.800 2.850 5.250 3.983 3.493 4.574 . 0 0 "[ . 1]" 2
354 1 12 DG H2'' 1 14 DT C7 6.000 4.500 8.000 5.703 5.338 5.964 . 0 0 "[ . 1]" 2
355 1 12 DG H3' 1 14 DT C7 4.800 3.600 6.500 5.471 5.206 6.000 . 0 0 "[ . 1]" 2
356 1 12 DG H4' 1 14 DT H6 3.000 2.250 3.750 3.151 2.397 3.784 0.034 3 0 "[ . 1]" 2
357 1 12 DG H4' 1 14 DT C7 2.400 . 3.500 2.944 2.678 3.230 . 0 0 "[ . 1]" 2
358 1 12 DG H1' 1 17 DG H8 6.000 4.500 7.500 5.554 5.054 6.309 . 0 0 "[ . 1]" 2
359 1 13 DT C7 1 13 DT H6 2.400 . 3.500 2.659 2.657 2.662 . 0 0 "[ . 1]" 2
360 1 13 DT H2' 1 13 DT H6 2.400 . 3.000 2.196 2.189 2.206 . 0 0 "[ . 1]" 2
361 1 13 DT H2'' 1 13 DT H6 3.000 2.250 3.750 3.444 2.404 3.731 . 0 0 "[ . 1]" 2
362 1 13 DT C7 1 13 DT H1' 6.000 4.500 8.000 5.760 5.462 5.837 . 0 0 "[ . 1]" 2
363 1 13 DT H1' 1 13 DT H2' 3.800 2.850 4.750 3.024 3.020 3.030 . 0 0 "[ . 1]" 2
364 1 13 DT H1' 1 13 DT H2'' 3.000 2.250 3.750 2.397 2.253 2.459 . 0 0 "[ . 1]" 2
365 1 13 DT H1' 1 13 DT H6 3.000 2.250 3.750 3.635 3.227 3.738 . 0 0 "[ . 1]" 2
366 1 13 DT H2' 1 13 DT H2'' 3.200 . 4.600 1.793 1.792 1.794 0.008 1 0 "[ . 1]" 2
367 1 13 DT H3' 1 13 DT H6 3.800 2.850 4.750 4.121 3.978 4.439 . 0 0 "[ . 1]" 2
368 1 13 DT H1' 1 13 DT H3' 5.500 3.500 7.500 3.825 3.795 3.846 . 0 0 "[ . 1]" 2
369 1 13 DT H2' 1 13 DT H3' 3.200 . 4.600 2.353 2.317 2.368 . 0 0 "[ . 1]" 2
370 1 13 DT H2'' 1 13 DT H3' 3.000 2.250 3.750 2.732 2.618 2.876 . 0 0 "[ . 1]" 2
371 1 13 DT H4' 1 13 DT H6 4.800 3.600 6.000 4.723 4.442 5.486 . 0 0 "[ . 1]" 2
372 1 13 DT H1' 1 13 DT H4' 3.800 2.850 4.750 3.184 2.767 3.359 0.083 1 0 "[ . 1]" 2
373 1 13 DT H4' 1 14 DT H6 6.000 4.500 7.500 5.121 4.706 5.688 . 0 0 "[ . 1]" 2
374 1 13 DT H4' 1 14 DT C7 4.800 3.600 6.500 6.005 5.480 6.545 0.045 2 0 "[ . 1]" 2
375 1 14 DT C7 1 14 DT H6 2.400 . 3.500 2.658 2.656 2.659 . 0 0 "[ . 1]" 2
376 1 14 DT H2' 1 14 DT H6 2.400 . 3.000 2.183 2.172 2.189 . 0 0 "[ . 1]" 2
377 1 14 DT H2'' 1 14 DT H6 3.000 2.250 3.750 3.642 3.555 3.763 0.013 1 0 "[ . 1]" 2
378 1 14 DT H1' 1 14 DT H6 3.800 2.850 4.750 3.735 3.732 3.740 . 0 0 "[ . 1]" 2
379 1 14 DT H1' 1 14 DT H2' 3.800 2.850 4.750 3.026 3.021 3.030 . 0 0 "[ . 1]" 2
380 1 14 DT H1' 1 14 DT H2'' 3.000 2.250 3.750 2.369 2.248 2.518 0.002 2 0 "[ . 1]" 2
381 1 14 DT C7 1 14 DT H2'' 6.000 4.500 8.000 5.833 5.707 6.013 . 0 0 "[ . 1]" 2
382 1 14 DT H2' 1 14 DT H2'' 2.400 . 3.000 1.791 1.790 1.793 0.010 6 0 "[ . 1]" 2
383 1 14 DT C7 1 14 DT H2' 4.800 3.600 6.500 4.588 4.570 4.610 . 0 0 "[ . 1]" 2
384 1 14 DT H3' 1 14 DT H6 3.200 . 4.600 4.027 3.886 4.156 . 0 0 "[ . 1]" 2
385 1 14 DT H1' 1 14 DT H3' 3.800 2.850 4.750 3.812 3.782 3.840 . 0 0 "[ . 1]" 2
386 1 14 DT C7 1 14 DT H3' 6.000 4.500 8.000 6.627 6.485 6.759 . 0 0 "[ . 1]" 2
387 1 14 DT H2' 1 14 DT H3' 2.400 . 3.000 2.333 2.306 2.362 . 0 0 "[ . 1]" 2
388 1 14 DT H2'' 1 14 DT H3' 3.000 2.250 3.750 2.801 2.586 2.917 . 0 0 "[ . 1]" 2
389 1 14 DT H4' 1 14 DT H6 4.800 3.600 6.000 4.659 4.561 4.712 . 0 0 "[ . 1]" 2
390 1 14 DT H1' 1 14 DT H4' 3.800 2.850 4.750 2.974 2.825 3.204 0.025 6 0 "[ . 1]" 2
391 1 14 DT H3' 1 14 DT H4' 3.000 2.250 3.750 2.859 2.795 2.915 . 0 0 "[ . 1]" 2
392 1 14 DT H2'' 1 14 DT H4' 4.800 3.600 6.000 3.914 3.775 4.060 . 0 0 "[ . 1]" 2
393 1 14 DT H1' 1 15 DA H8 4.800 3.600 6.000 5.903 5.778 6.006 0.006 7 0 "[ . 1]" 2
394 1 14 DT H1' 1 15 DA H2' 4.800 3.600 6.000 3.705 3.534 4.039 0.066 10 0 "[ . 1]" 2
395 1 14 DT H6 1 15 DA H3' 3.800 2.850 4.750 4.738 4.565 4.801 0.051 9 0 "[ . 1]" 2
396 1 14 DT H1' 1 15 DA H3' 3.000 2.250 3.750 2.288 2.202 2.470 0.048 2 0 "[ . 1]" 2
397 1 14 DT H2'' 1 15 DA H3' 3.000 2.250 3.750 2.438 2.201 2.886 0.049 8 0 "[ . 1]" 2
398 1 14 DT H6 1 15 DA H4' 6.000 4.500 7.500 6.967 6.817 7.137 . 0 0 "[ . 1]" 2
399 1 14 DT H1' 1 15 DA H5' 3.800 2.850 4.750 3.073 2.848 3.180 0.002 2 0 "[ . 1]" 2
400 1 14 DT H1' 1 15 DA H5'' 3.800 2.850 4.750 4.511 4.233 4.769 0.019 9 0 "[ . 1]" 2
401 1 14 DT H1' 1 15 DA H4' 4.800 3.600 6.000 4.726 4.429 4.996 . 0 0 "[ . 1]" 2
402 1 14 DT H3' 1 15 DA Q5' 4.800 3.600 6.500 4.871 4.484 5.355 . 0 0 "[ . 1]" 2
403 1 14 DT H2'' 1 15 DA H4' 4.800 3.600 6.000 3.727 3.584 3.823 0.016 3 0 "[ . 1]" 2
404 1 14 DT H2'' 1 15 DA Q5' 4.800 3.600 6.500 3.320 3.080 3.655 0.520 4 1 "[ +. 1]" 2
405 1 14 DT H1' 1 15 DA H1' 6.000 4.500 7.500 5.991 5.889 6.099 . 0 0 "[ . 1]" 2
406 1 14 DT C7 1 16 DG H3' 3.000 2.250 4.250 4.018 3.219 4.266 0.016 8 0 "[ . 1]" 2
407 1 14 DT C7 1 17 DG H8 6.000 4.500 8.000 5.592 4.953 6.231 . 0 0 "[ . 1]" 2
408 1 15 DA H2' 1 15 DA H8 3.800 2.850 4.750 3.369 3.109 3.628 . 0 0 "[ . 1]" 2
409 1 15 DA H2'' 1 15 DA H8 5.500 3.500 7.500 4.524 4.351 4.718 . 0 0 "[ . 1]" 2
410 1 15 DA H1' 1 15 DA H8 5.500 3.500 7.500 3.789 3.709 3.856 . 0 0 "[ . 1]" 2
411 1 15 DA H1' 1 15 DA H2' 3.800 2.850 4.750 3.023 3.019 3.029 . 0 0 "[ . 1]" 2
412 1 15 DA H1' 1 15 DA H2'' 3.000 2.250 3.750 2.317 2.251 2.407 . 0 0 "[ . 1]" 2
413 1 15 DA H2' 1 15 DA H2'' 2.400 . 3.000 1.792 1.791 1.794 0.009 4 0 "[ . 1]" 2
414 1 15 DA H3' 1 15 DA H8 5.500 3.500 7.500 4.808 4.724 4.900 . 0 0 "[ . 1]" 2
415 1 15 DA H2' 1 15 DA H3' 3.000 2.250 3.750 2.329 2.310 2.351 . 0 0 "[ . 1]" 2
416 1 15 DA H2'' 1 15 DA H3' 3.000 2.250 3.750 2.856 2.736 2.921 . 0 0 "[ . 1]" 2
417 1 15 DA H5' 1 15 DA H8 3.000 2.250 3.750 3.459 3.152 3.739 . 0 0 "[ . 1]" 2
418 1 15 DA H5'' 1 15 DA H8 3.000 2.250 3.750 3.823 3.765 3.882 0.132 4 0 "[ . 1]" 2
419 1 15 DA H1' 1 15 DA H4' 3.800 2.850 4.750 3.030 2.904 3.172 . 0 0 "[ . 1]" 2
420 1 15 DA H1' 1 15 DA H2 6.000 4.500 7.500 4.671 4.558 4.799 . 0 0 "[ . 1]" 2
421 1 15 DA H3' 1 15 DA Q5' 3.000 2.250 4.250 2.487 2.388 2.612 . 0 0 "[ . 1]" 2
422 1 15 DA H3' 1 15 DA H4' 3.000 2.250 3.750 2.855 2.806 2.897 . 0 0 "[ . 1]" 2
423 1 15 DA H4' 1 15 DA Q5' 2.400 . 3.500 2.380 2.351 2.402 . 0 0 "[ . 1]" 2
424 1 15 DA H5' 1 15 DA H5'' 2.400 . 3.000 1.776 1.774 1.776 0.026 2 0 "[ . 1]" 2
425 1 15 DA H2' 1 15 DA H4' 4.800 3.600 6.000 3.871 3.844 3.891 . 0 0 "[ . 1]" 2
426 1 15 DA H2'' 1 15 DA H4' 4.800 3.600 6.000 3.928 3.832 4.044 . 0 0 "[ . 1]" 2
427 1 15 DA H2' 1 15 DA Q5' 3.800 2.850 5.250 3.040 2.815 3.235 0.035 6 0 "[ . 1]" 2
428 1 15 DA H1' 1 27 DA H8 3.200 . 4.600 4.658 4.612 4.719 0.119 7 0 "[ . 1]" 2
429 1 15 DA H2 1 27 DA H2'' 4.800 3.600 6.000 5.580 5.078 5.927 . 0 0 "[ . 1]" 2
430 1 15 DA H2 1 27 DA H2' 6.000 4.500 7.500 4.666 4.466 5.032 0.034 1 0 "[ . 1]" 2
431 1 15 DA H1' 1 27 DA H2' 5.500 3.500 7.500 3.548 3.422 3.737 0.078 2 0 "[ . 1]" 2
432 1 15 DA H2 1 27 DA H1' 3.800 2.850 4.750 4.416 3.804 4.738 . 0 0 "[ . 1]" 2
433 1 15 DA H2 1 27 DA H8 6.000 4.500 7.500 4.985 4.714 5.340 . 0 0 "[ . 1]" 2
434 1 15 DA H2 1 27 DA H2 6.000 4.500 7.500 4.671 4.479 4.993 0.021 7 0 "[ . 1]" 2
435 1 16 DG H2' 1 16 DG H8 4.800 3.600 6.000 4.533 4.359 4.561 . 0 0 "[ . 1]" 2
436 1 16 DG H2'' 1 16 DG H8 5.500 3.500 7.500 3.958 3.688 4.242 . 0 0 "[ . 1]" 2
437 1 16 DG H1' 1 16 DG H2' 3.800 2.850 4.750 3.023 3.020 3.024 . 0 0 "[ . 1]" 2
438 1 16 DG H1' 1 16 DG H2'' 3.000 2.250 3.750 2.241 2.207 2.397 0.043 2 0 "[ . 1]" 2
439 1 16 DG H2' 1 16 DG H2'' 3.200 . 4.600 1.791 1.790 1.792 0.010 4 0 "[ . 1]" 2
440 1 16 DG H3' 1 16 DG H8 4.800 3.600 6.000 6.109 6.009 6.130 0.130 5 0 "[ . 1]" 2
441 1 16 DG H1' 1 16 DG H3' 4.800 3.600 6.000 3.823 3.815 3.837 . 0 0 "[ . 1]" 2
442 1 16 DG H2' 1 16 DG H3' 3.000 2.250 3.750 2.325 2.301 2.347 . 0 0 "[ . 1]" 2
443 1 16 DG H2'' 1 16 DG H3' 3.000 2.250 3.750 2.931 2.724 2.998 . 0 0 "[ . 1]" 2
444 1 16 DG H1' 1 16 DG H8 2.400 . 3.000 2.584 2.582 2.586 . 0 0 "[ . 1]" 2
445 1 16 DG H3' 1 16 DG H4' 3.000 2.250 3.750 2.860 2.793 2.956 . 0 0 "[ . 1]" 2
446 1 16 DG H2' 1 17 DG H8 3.000 2.250 3.750 3.102 2.713 3.218 . 0 0 "[ . 1]" 2
447 1 16 DG H2'' 1 17 DG H8 3.000 2.250 3.750 2.246 2.204 2.354 0.046 8 0 "[ . 1]" 2
448 1 16 DG H1' 1 17 DG H8 3.800 2.850 4.750 4.015 3.786 4.379 . 0 0 "[ . 1]" 2
449 1 16 DG H3' 1 17 DG H8 4.800 3.600 6.000 4.762 4.417 4.908 . 0 0 "[ . 1]" 2
450 1 16 DG H4' 1 17 DG H8 6.000 4.500 7.500 6.154 5.951 6.223 . 0 0 "[ . 1]" 2
451 1 16 DG H8 1 17 DG H1' 3.800 2.850 4.750 4.267 4.169 4.688 . 0 0 "[ . 1]" 2
452 1 16 DG H8 1 17 DG H4' 4.800 3.600 6.000 4.510 4.393 4.903 . 0 0 "[ . 1]" 2
453 1 16 DG H8 1 17 DG H8 4.800 3.600 6.000 4.585 4.387 4.769 . 0 0 "[ . 1]" 2
454 1 17 DG H2' 1 17 DG H8 2.400 . 3.000 2.494 2.470 2.518 . 0 0 "[ . 1]" 2
455 1 17 DG H2'' 1 17 DG H8 3.000 2.250 3.750 3.792 3.702 3.811 0.061 4 0 "[ . 1]" 2
456 1 17 DG H1' 1 17 DG H8 3.800 2.850 4.750 3.914 3.911 3.919 . 0 0 "[ . 1]" 2
457 1 17 DG H1' 1 17 DG H2' 3.800 2.850 4.750 3.025 3.022 3.030 . 0 0 "[ . 1]" 2
458 1 17 DG H1' 1 17 DG H2'' 3.000 2.250 3.750 2.211 2.198 2.219 0.052 6 0 "[ . 1]" 2
459 1 17 DG H3' 1 17 DG H8 3.800 2.850 4.750 4.345 4.281 4.427 . 0 0 "[ . 1]" 2
460 1 17 DG H1' 1 17 DG H3' 5.500 3.500 7.500 3.828 3.799 3.845 . 0 0 "[ . 1]" 2
461 1 17 DG H2' 1 17 DG H3' 3.000 2.250 3.750 2.329 2.319 2.342 . 0 0 "[ . 1]" 2
462 1 17 DG H2'' 1 17 DG H3' 3.000 2.250 3.750 2.966 2.957 2.983 . 0 0 "[ . 1]" 2
463 1 17 DG H4' 1 17 DG H8 4.800 3.600 6.000 4.914 4.890 4.954 . 0 0 "[ . 1]" 2
464 1 17 DG H3' 1 17 DG H4' 3.000 2.250 3.750 2.859 2.848 2.872 . 0 0 "[ . 1]" 2
465 1 17 DG H1' 1 18 DG H8 4.800 3.600 6.000 3.972 3.793 4.272 . 0 0 "[ . 1]" 2
466 1 17 DG H2' 1 18 DG H8 3.800 2.850 4.750 3.754 3.440 3.960 . 0 0 "[ . 1]" 2
467 1 17 DG H2'' 1 18 DG H8 3.000 2.250 3.750 2.346 2.222 2.731 0.028 10 0 "[ . 1]" 2
468 1 17 DG H8 1 18 DG H8 4.800 3.600 6.000 5.511 5.114 5.841 . 0 0 "[ . 1]" 2
469 1 17 DG H1' 1 18 DG H1' 6.000 4.500 7.500 5.730 5.395 5.996 . 0 0 "[ . 1]" 2
470 1 18 DG H1' 1 18 DG H8 3.800 2.850 4.750 3.901 3.891 3.911 . 0 0 "[ . 1]" 2
471 1 18 DG H2'' 1 18 DG H8 3.000 2.250 3.750 3.633 3.460 3.810 0.060 8 0 "[ . 1]" 2
472 1 18 DG H2' 1 18 DG H8 2.400 . 3.000 2.305 2.243 2.372 . 0 0 "[ . 1]" 2
473 1 18 DG H1' 1 18 DG H2'' 3.000 2.250 3.750 2.295 2.195 2.489 0.055 4 0 "[ . 1]" 2
474 1 18 DG H1' 1 18 DG H2' 3.800 2.850 4.750 3.027 3.018 3.032 . 0 0 "[ . 1]" 2
475 1 18 DG H2' 1 18 DG H2'' 2.400 . 3.000 1.792 1.790 1.794 0.010 8 0 "[ . 1]" 2
476 1 18 DG H3' 1 18 DG H8 3.200 . 4.600 4.354 4.232 4.480 . 0 0 "[ . 1]" 2
477 1 18 DG H1' 1 18 DG H3' 3.800 2.850 4.750 3.808 3.770 3.860 . 0 0 "[ . 1]" 2
478 1 18 DG H2'' 1 18 DG H3' 3.000 2.250 3.750 2.858 2.582 3.011 . 0 0 "[ . 1]" 2
479 1 18 DG H2' 1 18 DG H3' 3.000 2.250 3.750 2.353 2.310 2.378 . 0 0 "[ . 1]" 2
480 1 18 DG H4' 1 18 DG H8 4.800 3.600 6.000 4.968 4.862 5.081 . 0 0 "[ . 1]" 2
481 1 18 DG H1' 1 18 DG H4' 3.800 2.850 4.750 3.127 2.729 3.385 0.121 6 0 "[ . 1]" 2
482 1 18 DG H3' 1 18 DG H4' 3.000 2.250 3.750 2.809 2.744 2.926 . 0 0 "[ . 1]" 2
483 1 18 DG H2'' 1 18 DG H4' 3.800 2.850 4.750 4.011 3.778 4.127 . 0 0 "[ . 1]" 2
484 1 18 DG H2' 1 18 DG H4' 3.800 2.850 4.750 3.825 3.792 3.869 . 0 0 "[ . 1]" 2
485 1 18 DG H2' 1 19 DT H6 6.000 4.500 7.500 6.231 6.022 6.543 . 0 0 "[ . 1]" 2
486 1 18 DG H1' 1 19 DT C7 6.000 4.500 8.000 5.357 5.171 5.648 . 0 0 "[ . 1]" 2
487 1 18 DG H1' 1 19 DT H6 4.800 3.600 6.000 3.704 3.605 3.763 . 0 0 "[ . 1]" 2
488 1 18 DG H1' 1 19 DT H3' 3.800 2.850 4.750 3.793 2.785 4.577 0.065 9 0 "[ . 1]" 2
489 1 18 DG H3' 1 19 DT C7 6.000 4.500 8.000 6.873 5.983 8.019 0.019 10 0 "[ . 1]" 2
490 1 18 DG H8 1 19 DT H4' 5.500 3.500 7.500 7.612 7.592 7.638 0.138 10 0 "[ . 1]" 2
491 1 18 DG H4' 1 19 DT H6 5.500 3.500 7.500 4.687 4.129 5.592 . 0 0 "[ . 1]" 2
492 1 18 DG H4' 1 19 DT H2' 4.800 3.600 6.000 5.988 5.567 6.149 0.149 8 0 "[ . 1]" 2
493 1 18 DG H2' 1 19 DT H4' 6.000 4.500 7.500 6.071 5.862 6.195 . 0 0 "[ . 1]" 2
494 1 18 DG H8 1 19 DT H6 6.000 4.500 7.500 7.523 7.394 7.570 0.070 6 0 "[ . 1]" 2
495 1 18 DG H1' 1 19 DT H4' 4.800 3.600 6.000 4.974 4.526 5.438 . 0 0 "[ . 1]" 2
496 1 18 DG H8 1 20 DT C7 3.000 2.250 4.250 4.221 3.741 4.323 0.073 7 0 "[ . 1]" 2
497 1 18 DG H2' 1 20 DT H6 6.000 4.500 7.500 5.720 5.234 5.957 . 0 0 "[ . 1]" 2
498 1 18 DG H1' 1 20 DT C7 4.800 3.600 6.500 4.793 4.118 5.539 . 0 0 "[ . 1]" 2
499 1 18 DG H2' 1 20 DT C7 4.800 3.600 6.500 3.841 3.539 4.254 0.061 8 0 "[ . 1]" 2
500 1 18 DG H2'' 1 20 DT C7 3.800 2.850 5.250 3.382 2.936 4.436 . 0 0 "[ . 1]" 2
501 1 18 DG H3' 1 20 DT C7 4.800 3.600 6.500 5.782 5.409 6.517 0.017 10 0 "[ . 1]" 2
502 1 18 DG H1' 1 20 DT H6 4.800 3.600 6.000 5.244 4.508 6.038 0.038 10 0 "[ . 1]" 2
503 1 18 DG H8 1 20 DT H6 4.800 3.600 6.000 5.871 5.348 6.100 0.100 8 0 "[ . 1]" 2
504 1 19 DT C7 1 19 DT H6 2.400 . 3.500 2.659 2.657 2.661 . 0 0 "[ . 1]" 2
505 1 19 DT H2' 1 19 DT H6 2.400 . 3.000 2.205 2.187 2.264 . 0 0 "[ . 1]" 2
506 1 19 DT H2'' 1 19 DT H6 3.000 2.250 3.750 3.720 3.689 3.754 0.004 6 0 "[ . 1]" 2
507 1 19 DT C7 1 19 DT H1' 6.000 4.500 8.000 5.831 5.829 5.833 . 0 0 "[ . 1]" 2
508 1 19 DT H1' 1 19 DT H2' 3.000 2.250 3.750 3.022 3.014 3.027 . 0 0 "[ . 1]" 2
509 1 19 DT H1' 1 19 DT H2'' 3.000 2.250 3.750 2.399 2.348 2.435 . 0 0 "[ . 1]" 2
510 1 19 DT H2' 1 19 DT H2'' 3.200 . 4.600 1.793 1.790 1.794 0.010 2 0 "[ . 1]" 2
511 1 19 DT H1' 1 19 DT H6 3.000 2.250 3.750 3.731 3.729 3.734 . 0 0 "[ . 1]" 2
512 1 19 DT H3' 1 19 DT H6 3.200 . 4.600 4.016 3.788 4.098 . 0 0 "[ . 1]" 2
513 1 19 DT H1' 1 19 DT H3' 3.800 2.850 4.750 3.837 3.805 3.862 . 0 0 "[ . 1]" 2
514 1 19 DT C7 1 19 DT H3' 6.000 4.500 8.000 6.608 6.381 6.697 . 0 0 "[ . 1]" 2
515 1 19 DT H2' 1 19 DT H3' 3.000 2.250 3.750 2.348 2.293 2.373 . 0 0 "[ . 1]" 2
516 1 19 DT H2'' 1 19 DT H3' 3.000 2.250 3.750 2.727 2.654 2.815 . 0 0 "[ . 1]" 2
517 1 19 DT H4' 1 19 DT H6 4.800 3.600 6.000 4.506 4.379 4.659 . 0 0 "[ . 1]" 2
518 1 19 DT H1' 1 19 DT H4' 3.000 2.250 3.750 3.224 2.876 3.400 . 0 0 "[ . 1]" 2
519 1 19 DT H3' 1 19 DT H4' 3.000 2.250 3.750 2.792 2.732 2.915 . 0 0 "[ . 1]" 2
520 1 19 DT H6 1 20 DT C7 6.000 4.500 8.000 7.425 7.032 7.860 . 0 0 "[ . 1]" 2
521 1 19 DT H2' 1 20 DT H6 4.800 3.600 6.000 5.642 5.026 5.946 . 0 0 "[ . 1]" 2
522 1 19 DT H1' 1 20 DT C7 6.000 4.500 8.000 7.779 7.010 8.029 0.029 3 0 "[ . 1]" 2
523 1 19 DT H2' 1 20 DT C7 6.000 4.500 8.000 6.648 5.970 6.975 . 0 0 "[ . 1]" 2
524 1 19 DT H3' 1 20 DT H6 4.800 3.600 6.000 3.651 3.509 3.814 0.091 5 0 "[ . 1]" 2
525 1 19 DT H3' 1 20 DT C7 4.800 3.600 6.500 4.815 3.786 5.433 . 0 0 "[ . 1]" 2
526 1 19 DT H1' 1 20 DT H6 6.000 4.500 7.500 6.680 5.701 7.105 . 0 0 "[ . 1]" 2
527 1 19 DT H4' 1 20 DT H6 4.800 3.600 6.000 4.569 4.047 5.946 . 0 0 "[ . 1]" 2
528 1 19 DT H4' 1 20 DT C7 4.800 3.600 6.500 5.088 4.680 6.519 0.019 10 0 "[ . 1]" 2
529 1 19 DT H2' 1 20 DT H4' 4.800 3.600 6.000 6.005 5.907 6.051 0.051 8 0 "[ . 1]" 2
530 1 20 DT C7 1 20 DT H6 2.400 . 3.500 2.659 2.654 2.661 . 0 0 "[ . 1]" 2
531 1 20 DT H2' 1 20 DT H6 3.000 2.250 3.750 2.772 2.445 3.704 . 0 0 "[ . 1]" 2
532 1 20 DT H2'' 1 20 DT H6 3.800 2.850 4.750 4.155 3.919 4.646 . 0 0 "[ . 1]" 2
533 1 20 DT C7 1 20 DT H1' 6.000 4.500 8.000 5.775 5.583 5.825 . 0 0 "[ . 1]" 2
534 1 20 DT H1' 1 20 DT H2' 3.800 2.850 4.750 3.027 3.024 3.030 . 0 0 "[ . 1]" 2
535 1 20 DT H1' 1 20 DT H2'' 3.000 2.250 3.750 2.478 2.276 2.617 . 0 0 "[ . 1]" 2
536 1 20 DT H2' 1 20 DT H2'' 2.400 . 3.000 1.793 1.792 1.795 0.008 3 0 "[ . 1]" 2
537 1 20 DT H3' 1 20 DT H6 3.800 2.850 4.750 4.347 4.136 4.866 0.116 5 0 "[ . 1]" 2
538 1 20 DT H1' 1 20 DT H3' 4.800 3.600 6.000 3.809 3.795 3.829 . 0 0 "[ . 1]" 2
539 1 20 DT H2' 1 20 DT H3' 3.000 2.250 3.750 2.336 2.315 2.358 . 0 0 "[ . 1]" 2
540 1 20 DT H2'' 1 20 DT H3' 3.000 2.250 3.750 2.638 2.376 2.935 . 0 0 "[ . 1]" 2
541 1 20 DT H1' 1 20 DT H6 3.800 2.850 4.750 3.657 3.399 3.726 . 0 0 "[ . 1]" 2
542 1 20 DT H1' 1 20 DT H4' 3.800 2.850 4.750 2.975 2.810 3.165 0.040 5 0 "[ . 1]" 2
543 1 20 DT H3' 1 20 DT H4' 3.000 2.250 3.750 2.857 2.801 2.908 . 0 0 "[ . 1]" 2
544 1 20 DT H2' 1 20 DT H4' 4.800 3.600 6.000 3.857 3.836 3.874 . 0 0 "[ . 1]" 2
545 1 20 DT H2'' 1 20 DT H4' 4.800 3.600 6.000 3.865 3.727 4.010 . 0 0 "[ . 1]" 2
546 1 20 DT H2' 1 21 DA H8 4.800 3.600 6.000 5.071 4.457 5.462 . 0 0 "[ . 1]" 2
547 1 20 DT H2'' 1 21 DA H8 3.800 2.850 4.750 3.350 2.823 3.754 0.027 10 0 "[ . 1]" 2
548 1 20 DT H1' 1 21 DA H8 4.800 3.600 6.000 4.262 3.935 4.600 . 0 0 "[ . 1]" 2
549 1 20 DT H4' 1 21 DA H8 4.800 3.600 6.000 5.149 4.636 5.735 . 0 0 "[ . 1]" 2
550 1 20 DT H1' 1 21 DA H5' 4.800 3.600 6.000 4.175 3.844 4.592 . 0 0 "[ . 1]" 2
551 1 20 DT H1' 1 21 DA H5'' 4.800 3.600 6.000 5.712 5.421 6.010 0.010 5 0 "[ . 1]" 2
552 1 20 DT H2' 1 21 DA H5'' 6.000 4.500 7.500 6.885 6.583 7.364 . 0 0 "[ . 1]" 2
553 1 20 DT H2'' 1 21 DA H5'' 4.800 3.600 6.000 5.805 5.444 6.084 0.084 2 0 "[ . 1]" 2
554 1 20 DT H2' 1 21 DA H5' 6.000 4.500 7.500 5.884 5.614 6.712 . 0 0 "[ . 1]" 2
555 1 20 DT H2'' 1 21 DA H5' 4.800 3.600 6.000 4.779 4.406 5.366 . 0 0 "[ . 1]" 2
556 1 20 DT H6 1 21 DA H8 6.000 4.500 7.500 7.242 7.034 7.512 0.012 1 0 "[ . 1]" 2
557 1 21 DA H2' 1 21 DA H8 3.000 2.250 3.750 2.573 2.330 2.941 . 0 0 "[ . 1]" 2
558 1 21 DA H2'' 1 21 DA H8 3.800 2.850 4.750 4.068 3.810 4.363 . 0 0 "[ . 1]" 2
559 1 21 DA H1' 1 21 DA H2' 3.800 2.850 4.750 3.013 2.999 3.025 . 0 0 "[ . 1]" 2
560 1 21 DA H1' 1 21 DA H2'' 3.000 2.250 3.750 2.407 2.391 2.425 . 0 0 "[ . 1]" 2
561 1 21 DA H1' 1 21 DA H8 3.800 2.850 4.750 3.911 3.886 3.921 . 0 0 "[ . 1]" 2
562 1 21 DA H2' 1 21 DA H2'' 2.400 . 3.000 1.793 1.791 1.795 0.009 1 0 "[ . 1]" 2
563 1 21 DA H3' 1 21 DA H8 3.800 2.850 4.750 4.369 4.176 4.520 . 0 0 "[ . 1]" 2
564 1 21 DA H1' 1 21 DA H3' 3.800 2.850 4.750 3.874 3.822 3.926 . 0 0 "[ . 1]" 2
565 1 21 DA H2' 1 21 DA H3' 3.000 2.250 3.750 2.359 2.336 2.386 . 0 0 "[ . 1]" 2
566 1 21 DA H2'' 1 21 DA H3' 3.000 2.250 3.750 2.674 2.644 2.697 . 0 0 "[ . 1]" 2
567 1 21 DA H5' 1 21 DA H8 3.800 2.850 4.750 3.613 3.233 3.953 . 0 0 "[ . 1]" 2
568 1 21 DA H5'' 1 21 DA H8 3.800 2.850 4.750 4.182 3.921 4.519 . 0 0 "[ . 1]" 2
569 1 21 DA H4' 1 21 DA H8 4.800 3.600 6.000 4.613 4.464 4.824 . 0 0 "[ . 1]" 2
570 1 21 DA H1' 1 21 DA Q5' 4.800 3.600 6.500 4.310 4.274 4.342 . 0 0 "[ . 1]" 2
571 1 21 DA H1' 1 21 DA H4' 3.800 2.850 4.750 3.469 3.365 3.576 . 0 0 "[ . 1]" 2
572 1 21 DA H3' 1 21 DA Q5' 3.000 2.250 4.250 2.419 2.312 2.526 . 0 0 "[ . 1]" 2
573 1 21 DA H3' 1 21 DA H4' 3.000 2.250 3.750 2.735 2.719 2.771 . 0 0 "[ . 1]" 2
574 1 21 DA H4' 1 21 DA H5' 3.000 2.250 3.750 2.428 2.354 2.494 . 0 0 "[ . 1]" 2
575 1 21 DA H4' 1 21 DA H5'' 3.000 2.250 3.750 2.481 2.425 2.553 . 0 0 "[ . 1]" 2
576 1 21 DA H5' 1 21 DA H5'' 2.400 . 3.000 1.776 1.774 1.777 0.026 8 0 "[ . 1]" 2
577 1 21 DA H2' 1 21 DA H4' 4.800 3.600 6.000 3.821 3.779 3.854 . 0 0 "[ . 1]" 2
578 1 21 DA H2'' 1 21 DA H4' 4.800 3.600 6.000 4.081 4.031 4.117 . 0 0 "[ . 1]" 2
579 1 21 DA H2' 1 21 DA Q5' 4.800 3.600 6.500 3.366 3.253 3.486 0.347 7 0 "[ . 1]" 2
580 1 21 DA H2'' 1 21 DA Q5' 6.000 4.500 8.000 4.354 4.286 4.396 0.214 10 0 "[ . 1]" 2
581 1 21 DA H4' 1 22 BGM H3' 4.800 3.600 6.000 4.145 3.838 4.275 . 0 0 "[ . 1]" 2
582 1 22 BGM H1' 1 22 BGM H2'' 3.000 2.250 3.750 2.227 2.190 2.254 0.060 9 0 "[ . 1]" 2
583 1 22 BGM H1' 1 22 BGM H2' 3.800 2.850 4.750 3.025 3.023 3.027 . 0 0 "[ . 1]" 2
584 1 22 BGM H2' 1 22 BGM H2'' 2.400 . 3.000 1.792 1.789 1.793 0.011 9 0 "[ . 1]" 2
585 1 22 BGM H1' 1 22 BGM H3' 3.800 2.850 4.750 3.822 3.810 3.839 . 0 0 "[ . 1]" 2
586 1 22 BGM H2'' 1 22 BGM H3' 3.000 2.250 3.750 2.956 2.920 3.049 . 0 0 "[ . 1]" 2
587 1 22 BGM H2' 1 22 BGM H3' 3.000 2.250 3.750 2.328 2.304 2.343 . 0 0 "[ . 1]" 2
588 1 22 BGM H1' 1 23 DG H8 6.000 4.500 7.500 6.590 6.221 6.952 . 0 0 "[ . 1]" 2
589 1 22 BGM H2'' 1 23 DG H3' 6.000 4.500 7.500 4.588 4.421 5.143 0.079 3 0 "[ . 1]" 2
590 1 22 BGM H1' 1 23 DG H1' 6.000 4.500 7.500 5.438 5.172 5.629 . 0 0 "[ . 1]" 2
591 1 23 DG Q2' 1 23 DG H8 3.200 . 5.100 3.405 3.084 3.499 . 0 0 "[ . 1]" 2
592 1 23 DG H1' 1 23 DG Q2' 3.200 . 5.100 2.142 2.136 2.150 . 0 0 "[ . 1]" 2
593 1 23 DG H3' 1 23 DG H8 4.800 3.600 6.000 5.988 5.766 6.049 0.049 6 0 "[ . 1]" 2
594 1 23 DG H1' 1 23 DG H8 2.400 . 3.000 2.611 2.582 2.710 . 0 0 "[ . 1]" 2
595 1 23 DG H1' 1 23 DG H3' 3.800 2.850 4.750 3.827 3.810 3.865 . 0 0 "[ . 1]" 2
596 1 23 DG Q2' 1 23 DG H3' 3.200 . 5.100 2.237 2.222 2.244 . 0 0 "[ . 1]" 2
597 1 23 DG Q2' 1 24 DG H8 3.200 . 5.100 2.360 2.145 2.580 . 0 0 "[ . 1]" 2
598 1 23 DG H1' 1 24 DG H8 4.800 3.600 6.000 4.749 4.518 4.972 . 0 0 "[ . 1]" 2
599 1 23 DG H8 1 24 DG H1' 6.000 4.500 7.500 4.557 4.444 4.890 0.056 6 0 "[ . 1]" 2
600 1 23 DG H8 1 24 DG H4' 4.800 3.600 6.000 4.413 4.200 4.856 . 0 0 "[ . 1]" 2
601 1 23 DG H1' 1 24 DG H4' 4.800 3.600 6.000 4.372 4.118 5.139 . 0 0 "[ . 1]" 2
602 1 23 DG Q2' 1 24 DG H4' 4.800 3.600 6.500 3.768 3.587 3.905 0.013 2 0 "[ . 1]" 2
603 1 23 DG H8 1 24 DG H8 6.000 4.500 7.500 5.208 5.073 5.486 . 0 0 "[ . 1]" 2
604 1 23 DG H1' 1 24 DG H1' 6.000 4.500 7.500 5.495 5.300 6.092 . 0 0 "[ . 1]" 2
605 1 24 DG H2' 1 24 DG H8 2.400 . 3.000 2.465 2.432 2.492 . 0 0 "[ . 1]" 2
606 1 24 DG H2'' 1 24 DG H8 3.000 2.250 3.750 3.732 3.660 3.793 0.043 7 0 "[ . 1]" 2
607 1 24 DG H1' 1 24 DG H8 3.800 2.850 4.750 3.920 3.916 3.924 . 0 0 "[ . 1]" 2
608 1 24 DG H1' 1 24 DG H2'' 3.000 2.250 3.750 2.236 2.206 2.285 0.044 3 0 "[ . 1]" 2
609 1 24 DG H3' 1 24 DG H8 3.200 . 4.600 4.423 4.385 4.484 . 0 0 "[ . 1]" 2
610 1 24 DG H1' 1 24 DG H3' 3.800 2.850 4.750 3.798 3.780 3.812 . 0 0 "[ . 1]" 2
611 1 24 DG H2' 1 24 DG H3' 3.000 2.250 3.750 2.340 2.328 2.357 . 0 0 "[ . 1]" 2
612 1 24 DG H2'' 1 24 DG H3' 3.000 2.250 3.750 2.947 2.904 2.973 . 0 0 "[ . 1]" 2
613 1 24 DG H4' 1 24 DG H8 4.800 3.600 6.000 4.971 4.956 4.988 . 0 0 "[ . 1]" 2
614 1 24 DG H1' 1 24 DG H4' 3.800 2.850 4.750 2.989 2.891 3.066 . 0 0 "[ . 1]" 2
615 1 24 DG H3' 1 24 DG H4' 3.000 2.250 3.750 2.849 2.822 2.878 . 0 0 "[ . 1]" 2
616 1 24 DG H2' 1 24 DG H4' 4.800 3.600 6.000 3.849 3.831 3.862 . 0 0 "[ . 1]" 2
617 1 24 DG H2'' 1 24 DG H4' 4.800 3.600 6.000 3.978 3.916 4.031 . 0 0 "[ . 1]" 2
618 1 24 DG H2' 1 25 DT H6 3.800 2.850 4.750 3.063 2.926 3.218 . 0 0 "[ . 1]" 2
619 1 24 DG H2'' 1 25 DT H6 3.000 2.250 3.750 2.490 2.322 2.863 . 0 0 "[ . 1]" 2
620 1 24 DG H1' 1 25 DT C7 4.800 3.600 6.500 6.207 6.113 6.378 . 0 0 "[ . 1]" 2
621 1 24 DG H2'' 1 25 DT C7 4.800 3.600 6.500 4.309 4.108 4.625 . 0 0 "[ . 1]" 2
622 1 24 DG H2' 1 25 DT C7 4.800 3.600 6.500 3.626 3.562 3.803 0.038 3 0 "[ . 1]" 2
623 1 24 DG H8 1 25 DT H3' 5.500 3.500 7.500 6.920 6.386 7.139 . 0 0 "[ . 1]" 2
624 1 24 DG H3' 1 25 DT H6 4.800 3.600 6.000 4.668 4.521 4.952 . 0 0 "[ . 1]" 2
625 1 24 DG H3' 1 25 DT C7 4.800 3.600 6.500 5.206 5.064 5.570 . 0 0 "[ . 1]" 2
626 1 24 DG H1' 1 25 DT H6 3.800 2.850 4.750 4.489 4.316 4.809 0.059 6 0 "[ . 1]" 2
627 1 24 DG H4' 1 25 DT H6 6.000 4.500 7.500 6.379 6.217 6.732 . 0 0 "[ . 1]" 2
628 1 24 DG H8 1 25 DT H4' 6.000 4.500 7.500 6.590 6.386 6.866 . 0 0 "[ . 1]" 2
629 1 24 DG H1' 1 25 DT H4' 4.800 3.600 6.000 3.832 3.520 4.504 0.080 4 0 "[ . 1]" 2
630 1 24 DG H8 1 25 DT H6 3.800 2.850 4.750 4.444 4.146 4.615 . 0 0 "[ . 1]" 2
631 1 24 DG H8 1 26 DT C7 6.000 4.500 8.000 8.089 8.024 8.159 0.159 10 0 "[ . 1]" 2
632 1 25 DT C7 1 25 DT H6 2.400 . 3.500 2.660 2.659 2.661 . 0 0 "[ . 1]" 2
633 1 25 DT Q2' 1 25 DT H6 3.800 3.600 4.750 2.783 2.661 3.138 0.939 9 9 [**-*****+1] 2
634 1 25 DT H1' 1 25 DT Q2' . 2.850 3.750 2.151 2.109 2.203 0.741 10 10 [****-****+] 2
635 1 25 DT H2' 1 25 DT H2'' 2.400 . 3.000 1.788 1.785 1.789 0.015 6 0 "[ . 1]" 2
636 1 25 DT H3' 1 25 DT H6 2.400 . 3.000 2.930 2.193 3.126 0.126 6 0 "[ . 1]" 2
637 1 25 DT H1' 1 25 DT H6 3.800 2.850 4.750 3.715 3.696 3.724 . 0 0 "[ . 1]" 2
638 1 25 DT H4' 1 25 DT H6 4.800 3.600 6.000 4.329 3.951 4.435 . 0 0 "[ . 1]" 2
639 1 25 DT H1' 1 25 DT H4' 3.800 2.850 4.750 2.920 2.811 3.345 0.039 4 0 "[ . 1]" 2
640 1 25 DT Q2' 1 25 DT H4' . 3.600 4.750 3.037 2.848 3.111 0.752 3 9 "[*-+** ****]" 2
641 1 25 DT H6 1 26 DT C7 4.800 3.600 6.500 4.536 4.233 4.728 . 0 0 "[ . 1]" 2
642 1 25 DT Q2' 1 26 DT H6 3.800 2.850 4.750 2.634 2.569 2.702 0.281 2 0 "[ . 1]" 2
643 1 25 DT H1' 1 26 DT C7 6.000 4.500 8.000 5.893 5.622 6.240 . 0 0 "[ . 1]" 2
644 1 25 DT Q2' 1 26 DT C7 6.000 4.500 6.500 3.483 3.447 3.563 1.053 9 10 [******-*+*] 2
645 1 25 DT H3' 1 26 DT H6 4.800 3.600 6.000 4.430 3.890 4.831 . 0 0 "[ . 1]" 2
646 1 25 DT H1' 1 26 DT H4' 6.000 4.500 7.500 6.054 5.816 6.283 . 0 0 "[ . 1]" 2
647 1 25 DT H1' 1 26 DT H5' 4.800 3.600 6.000 4.539 3.825 6.062 0.062 4 0 "[ . 1]" 2
648 1 25 DT H1' 1 26 DT H5'' 4.800 3.600 6.000 5.446 5.335 5.531 . 0 0 "[ . 1]" 2
649 1 25 DT H1' 1 26 DT H6 4.800 3.600 6.000 5.036 4.699 5.444 . 0 0 "[ . 1]" 2
650 1 25 DT H4' 1 26 DT Q5' 6.000 4.500 8.000 4.309 3.996 4.685 0.504 1 1 "[+ . 1]" 2
651 1 25 DT H4' 1 26 DT C7 6.000 4.500 8.000 7.262 6.761 7.446 . 0 0 "[ . 1]" 2
652 1 25 DT Q2' 1 26 DT H4' 6.000 4.500 6.000 4.180 4.093 4.331 0.407 1 0 "[ . 1]" 2
653 1 25 DT Q2' 1 26 DT Q5' 4.800 3.600 5.250 2.443 2.162 3.028 1.438 8 10 [***-***+**] 2
654 1 25 DT H6 1 26 DT H6 6.000 4.500 7.500 5.201 5.027 5.424 . 0 0 "[ . 1]" 2
655 1 25 DT Q2' 1 27 DA H2 3.800 2.850 4.750 3.002 2.728 3.378 0.122 9 0 "[ . 1]" 2
656 1 25 DT H1' 1 27 DA H2 3.800 2.850 4.750 2.884 2.762 3.043 0.088 7 0 "[ . 1]" 2
657 1 25 DT H4' 1 27 DA H2 4.800 3.600 6.000 5.463 5.263 5.929 . 0 0 "[ . 1]" 2
658 1 26 DT C7 1 26 DT H6 2.400 . 3.500 2.661 2.659 2.663 . 0 0 "[ . 1]" 2
659 1 26 DT H2' 1 26 DT H6 3.000 2.250 3.750 2.901 2.358 3.430 . 0 0 "[ . 1]" 2
660 1 26 DT H2'' 1 26 DT H6 3.800 2.850 4.750 4.220 3.839 4.499 . 0 0 "[ . 1]" 2
661 1 26 DT C7 1 26 DT H1' 6.000 4.500 8.000 5.773 5.690 5.832 . 0 0 "[ . 1]" 2
662 1 26 DT H1' 1 26 DT H2' 3.800 2.850 4.750 3.021 2.994 3.027 . 0 0 "[ . 1]" 2
663 1 26 DT H1' 1 26 DT H2'' 3.000 2.250 3.750 2.392 2.264 2.416 . 0 0 "[ . 1]" 2
664 1 26 DT H2' 1 26 DT H2'' 2.400 . 3.000 1.792 1.789 1.794 0.011 7 0 "[ . 1]" 2
665 1 26 DT H3' 1 26 DT H6 3.200 . 4.600 4.275 4.060 4.482 . 0 0 "[ . 1]" 2
666 1 26 DT H1' 1 26 DT H3' 3.800 2.850 4.750 3.831 3.810 3.897 . 0 0 "[ . 1]" 2
667 1 26 DT C7 1 26 DT H3' 6.000 4.500 8.000 6.784 6.564 6.951 . 0 0 "[ . 1]" 2
668 1 26 DT H2' 1 26 DT H3' 3.000 2.250 3.750 2.315 2.276 2.331 . 0 0 "[ . 1]" 2
669 1 26 DT H2'' 1 26 DT H3' 3.000 2.250 3.750 2.798 2.762 2.967 . 0 0 "[ . 1]" 2
670 1 26 DT H4' 1 26 DT H6 4.800 3.600 6.000 4.387 4.236 4.578 . 0 0 "[ . 1]" 2
671 1 26 DT H5' 1 26 DT H6 3.800 2.850 4.750 4.214 3.838 4.780 0.030 9 0 "[ . 1]" 2
672 1 26 DT H5'' 1 26 DT H6 3.800 2.850 4.750 4.305 3.125 4.793 0.043 7 0 "[ . 1]" 2
673 1 26 DT H1' 1 26 DT Q5' 6.000 4.500 8.000 4.175 4.137 4.213 0.363 4 0 "[ . 1]" 2
674 1 26 DT H1' 1 26 DT H6 3.800 2.850 4.750 3.653 3.544 3.729 . 0 0 "[ . 1]" 2
675 1 26 DT H1' 1 26 DT H4' 3.800 2.850 4.750 2.880 2.785 2.943 0.065 7 0 "[ . 1]" 2
676 1 26 DT H3' 1 26 DT H4' 3.000 2.250 3.750 2.895 2.867 2.968 . 0 0 "[ . 1]" 2
677 1 26 DT H4' 1 26 DT H5'' 3.000 2.250 3.750 2.641 2.451 3.040 . 0 0 "[ . 1]" 2
678 1 26 DT H4' 1 26 DT H5' 3.000 2.250 3.750 2.455 2.433 2.483 . 0 0 "[ . 1]" 2
679 1 26 DT H2' 1 26 DT H4' 4.800 3.600 6.000 3.876 3.866 3.899 . 0 0 "[ . 1]" 2
680 1 26 DT H2'' 1 26 DT H4' 4.800 3.600 6.000 3.817 3.560 3.902 0.040 7 0 "[ . 1]" 2
681 1 26 DT H2' 1 26 DT Q5' 4.800 3.600 6.500 3.715 3.064 4.229 0.536 4 1 "[ +. 1]" 2
682 1 26 DT H2'' 1 26 DT Q5' 4.800 3.600 6.500 4.458 4.140 4.611 . 0 0 "[ . 1]" 2
683 1 26 DT H2' 1 27 DA H8 6.000 4.500 7.500 6.924 6.676 7.262 . 0 0 "[ . 1]" 2
684 1 26 DT H2'' 1 27 DA H8 6.000 4.500 7.500 6.055 5.452 6.573 . 0 0 "[ . 1]" 2
685 1 26 DT C7 1 27 DA H2 6.000 4.500 8.000 5.606 5.261 6.268 . 0 0 "[ . 1]" 2
686 1 26 DT H1' 1 27 DA H8 4.800 3.600 6.000 4.594 4.322 5.218 . 0 0 "[ . 1]" 2
687 1 26 DT H3' 1 27 DA H8 4.800 3.600 6.000 6.141 6.103 6.226 0.226 1 0 "[ . 1]" 2
688 1 26 DT H4' 1 27 DA H8 4.800 3.600 6.000 3.665 3.531 3.882 0.069 3 0 "[ . 1]" 2
689 1 26 DT H4' 1 27 DA H2 6.000 4.500 7.500 4.882 4.463 5.206 0.037 1 0 "[ . 1]" 2
690 1 26 DT H5' 1 27 DA H2 4.800 3.600 6.000 4.477 3.673 6.034 0.034 9 0 "[ . 1]" 2
691 1 26 DT H5'' 1 27 DA H2 4.800 3.600 6.000 5.540 5.390 6.011 0.011 8 0 "[ . 1]" 2
692 1 26 DT Q5' 1 27 DA H1' 6.000 4.500 8.000 4.321 3.891 5.383 0.609 10 6 "[*** - * +]" 2
693 1 26 DT H4' 1 27 DA H1' 4.800 3.600 6.000 4.217 3.894 4.401 . 0 0 "[ . 1]" 2
694 1 26 DT H1' 1 27 DA Q5' 4.800 3.600 6.500 5.276 4.243 5.634 . 0 0 "[ . 1]" 2
695 1 26 DT H4' 1 27 DA Q5' 4.800 3.600 6.500 3.064 2.845 3.180 0.755 2 3 "[*+ . - 1]" 2
696 1 26 DT H4' 1 27 DA H4' 6.000 4.500 7.500 4.521 4.432 4.618 0.068 1 0 "[ . 1]" 2
697 1 26 DT H6 1 27 DA H2 4.800 3.600 6.000 4.475 4.118 5.117 . 0 0 "[ . 1]" 2
698 1 27 DA H2'' 1 27 DA H8 3.800 2.850 4.750 3.908 3.838 4.040 . 0 0 "[ . 1]" 2
699 1 27 DA H2' 1 27 DA H8 3.000 2.250 3.750 2.387 2.258 2.639 . 0 0 "[ . 1]" 2
700 1 27 DA H1' 1 27 DA H8 3.800 2.850 4.750 3.840 3.807 3.894 . 0 0 "[ . 1]" 2
701 1 27 DA H1' 1 27 DA H2'' 3.000 2.250 3.750 2.346 2.283 2.387 . 0 0 "[ . 1]" 2
702 1 27 DA H1' 1 27 DA H2' 3.800 2.850 4.750 2.728 2.721 2.739 0.129 7 0 "[ . 1]" 2
703 1 27 DA H2' 1 27 DA H2'' 3.200 . 4.600 1.792 1.789 1.794 0.011 7 0 "[ . 1]" 2
704 1 27 DA H3' 1 27 DA H8 2.400 . 3.000 2.169 2.155 2.179 . 0 0 "[ . 1]" 2
705 1 27 DA H1' 1 27 DA H2 4.800 3.600 6.000 4.583 4.492 4.641 . 0 0 "[ . 1]" 2
706 1 27 DA H1' 1 27 DA H3' 4.800 3.600 6.000 3.876 3.830 3.967 . 0 0 "[ . 1]" 2
707 1 27 DA H2' 1 27 DA H3' 3.200 . 4.600 2.315 2.286 2.329 . 0 0 "[ . 1]" 2
708 1 27 DA Q5' 1 27 DA H8 3.200 . 5.100 3.736 2.156 4.324 . 0 0 "[ . 1]" 2
709 1 27 DA H1' 1 27 DA H5' 4.800 3.600 6.000 4.832 4.731 5.191 . 0 0 "[ . 1]" 2
710 1 27 DA H1' 1 27 DA H5'' 4.800 3.600 6.000 5.022 4.198 5.236 . 0 0 "[ . 1]" 2
711 1 27 DA H5' 1 27 DA H5'' 2.400 . 3.000 1.776 1.774 1.777 0.026 1 0 "[ . 1]" 2
712 1 27 DA H4' 1 27 DA H8 4.800 3.600 6.000 4.589 4.292 4.729 . 0 0 "[ . 1]" 2
713 1 27 DA H1' 1 27 DA H4' 5.500 3.500 7.500 3.590 3.468 3.802 0.032 8 0 "[ . 1]" 2
714 1 27 DA H2' 1 27 DA H4' 4.800 3.600 6.000 3.942 3.879 4.061 . 0 0 "[ . 1]" 2
715 1 16 DG H8 1 17 DG H1 5.000 3.600 6.400 6.419 6.340 6.528 0.128 9 0 "[ . 1]" 2
716 1 17 DG H1 1 23 DG H8 4.200 3.000 5.400 4.627 4.344 4.793 . 0 0 "[ . 1]" 2
717 1 6 DG H1 1 24 DG H8 3.150 . 4.500 4.548 4.411 4.607 0.107 5 0 "[ . 1]" 2
718 1 6 DG H1 1 9 DA H2 3.200 2.400 4.000 3.860 3.657 4.010 0.010 1 0 "[ . 1]" 2
719 1 4 DG H1 1 11 DG H8 5.800 3.800 7.800 5.262 5.192 5.473 . 0 0 "[ . 1]" 2
720 1 4 DG H1 1 12 DG H8 5.800 3.800 7.800 4.223 3.926 4.788 . 0 0 "[ . 1]" 2
721 1 4 DG H1 1 21 DA H2 5.000 3.600 6.400 5.773 4.900 6.357 . 0 0 "[ . 1]" 2
722 1 3 DA H2 1 4 DG H1 3.200 2.400 4.000 2.916 2.576 3.434 . 0 0 "[ . 1]" 2
723 1 4 DG H8 1 22 BGM H1 4.200 3.000 5.400 4.991 3.945 5.470 0.070 9 0 "[ . 1]" 2
724 1 21 DA H8 1 22 BGM H1 4.200 3.000 5.400 5.090 4.592 5.535 0.135 8 0 "[ . 1]" 2
725 1 3 DA H2 1 22 BGM H1 6.000 4.200 7.800 4.348 4.099 5.047 0.101 9 0 "[ . 1]" 2
726 1 5 DG H8 1 23 DG H1 4.200 3.000 5.400 5.041 4.611 5.467 0.067 4 0 "[ . 1]" 2
727 1 10 DG H8 1 16 DG H1 5.000 3.600 6.400 4.857 4.631 5.129 . 0 0 "[ . 1]" 2
728 1 15 DA H2 1 16 DG H1 3.200 2.400 4.000 3.446 2.691 3.906 . 0 0 "[ . 1]" 2
729 1 15 DA H2 1 24 DG H1 5.000 3.600 6.400 6.164 5.632 6.376 . 0 0 "[ . 1]" 2
730 1 16 DG H8 1 24 DG H1 5.000 3.600 6.400 4.967 4.643 5.403 . 0 0 "[ . 1]" 2
731 1 6 DG H8 1 10 DG H1 4.200 3.000 5.400 5.249 5.077 5.319 . 0 0 "[ . 1]" 2
732 1 9 DA H2 1 10 DG H1 3.200 2.400 4.000 3.178 2.703 3.768 . 0 0 "[ . 1]" 2
733 1 11 DG H1 1 17 DG H8 4.200 3.000 5.400 4.685 4.252 5.000 . 0 0 "[ . 1]" 2
734 1 12 DG H1 1 20 DT H6 6.000 4.200 7.800 6.293 5.625 6.638 . 0 0 "[ . 1]" 2
735 1 12 DG H1 1 17 DG H8 4.200 3.000 5.400 5.272 5.049 5.450 0.050 2 0 "[ . 1]" 2
736 1 12 DG H1 1 18 DG H8 4.200 3.000 5.400 5.050 4.119 5.458 0.058 9 0 "[ . 1]" 2
737 1 3 DA H2 1 12 DG H1 4.200 3.000 5.400 5.345 5.081 5.461 0.061 7 0 "[ . 1]" 2
738 1 5 DG H1 1 11 DG H8 4.200 3.000 5.400 4.672 4.207 5.161 . 0 0 "[ . 1]" 2
739 1 5 DG H1 1 6 DG H8 6.000 4.200 7.800 6.925 6.580 7.491 . 0 0 "[ . 1]" 2
740 1 3 DA H1' 1 4 DG H1 4.200 3.000 5.400 4.536 4.258 4.972 . 0 0 "[ . 1]" 2
741 1 20 DT H1' 1 22 BGM H1 6.000 4.200 7.800 4.328 4.153 4.785 0.047 2 0 "[ . 1]" 2
742 1 21 DA H1' 1 22 BGM H1 4.200 3.000 5.400 4.647 4.365 5.042 . 0 0 "[ . 1]" 2
743 1 11 DG H1' 1 16 DG H1 5.000 3.600 6.400 6.190 5.790 6.418 0.018 1 0 "[ . 1]" 2
744 1 15 DA H1' 1 16 DG H1 5.000 3.600 6.400 5.959 5.454 6.322 . 0 0 "[ . 1]" 2
745 1 24 DG H1 1 25 DT H1' 5.000 3.600 6.400 3.886 3.603 4.009 . 0 0 "[ . 1]" 2
746 1 18 DG H1 1 20 DT H1' 3.200 2.400 4.000 3.354 2.885 3.875 . 0 0 "[ . 1]" 2
747 1 9 DA H1' 1 10 DG H1 3.200 2.400 4.000 3.833 3.577 4.114 0.114 5 0 "[ . 1]" 2
748 1 11 DG H1 1 12 DG H1' 6.000 4.200 7.800 6.581 6.027 7.480 . 0 0 "[ . 1]" 2
749 1 3 DA H2' 1 4 DG H1 5.000 3.600 6.400 6.241 5.771 6.475 0.075 3 0 "[ . 1]" 2
750 1 3 DA H2'' 1 4 DG H1 4.200 3.000 5.400 5.032 4.449 5.468 0.068 5 0 "[ . 1]" 2
751 1 4 DG H1 1 11 DG Q2' 5.000 3.600 6.900 4.624 4.381 5.150 . 0 0 "[ . 1]" 2
752 1 21 DA H2' 1 22 BGM H1 6.000 4.200 7.800 6.265 6.072 6.468 . 0 0 "[ . 1]" 2
753 1 21 DA H2'' 1 22 BGM H1 6.000 4.200 7.800 6.730 6.488 6.996 . 0 0 "[ . 1]" 2
754 1 21 DA H5' 1 22 BGM H1 6.000 4.200 7.800 4.595 4.122 5.105 0.078 2 0 "[ . 1]" 2
755 1 21 DA H5'' 1 22 BGM H1 6.000 4.200 7.800 6.126 5.642 6.593 . 0 0 "[ . 1]" 2
756 1 22 BGM H2' 1 23 DG H1 5.000 3.600 6.900 4.176 3.663 5.064 . 0 0 "[ . 1]" 2
757 1 22 BGM H2'' 1 23 DG H1 5.000 3.600 6.900 4.787 4.461 5.472 . 0 0 "[ . 1]" 2
758 1 15 DA H2' 1 16 DG H1 5.000 3.600 6.400 5.721 5.214 5.945 . 0 0 "[ . 1]" 2
759 1 15 DA H2'' 1 16 DG H1 4.200 3.000 5.400 4.652 4.268 5.103 . 0 0 "[ . 1]" 2
760 1 5 DG H2' 1 10 DG H1 5.000 3.600 6.400 5.555 5.123 5.721 . 0 0 "[ . 1]" 2
761 1 5 DG H2'' 1 10 DG H1 6.000 4.200 7.800 6.368 5.961 6.539 . 0 0 "[ . 1]" 2
762 1 9 DA H2' 1 10 DG H1 6.000 4.200 7.800 6.472 6.289 6.666 . 0 0 "[ . 1]" 2
763 1 9 DA H2'' 1 10 DG H1 4.200 3.000 5.400 5.091 4.799 5.406 0.006 9 0 "[ . 1]" 2
764 1 18 DG H1 1 20 DT H2' 6.000 4.200 7.800 5.870 5.457 6.638 . 0 0 "[ . 1]" 2
765 1 18 DG H1 1 20 DT H2'' 5.000 3.600 6.400 5.771 5.283 6.234 . 0 0 "[ . 1]" 2
766 1 11 DG H1 1 16 DG H2' 5.000 3.600 6.400 5.566 5.153 5.907 . 0 0 "[ . 1]" 2
767 1 11 DG H1 1 16 DG H2'' 5.000 3.600 6.400 6.143 5.701 6.431 0.031 4 0 "[ . 1]" 2
768 1 12 DG H1 1 20 DT C7 6.000 4.200 8.300 6.153 5.010 6.596 . 0 0 "[ . 1]" 2
769 1 12 DG H1 1 17 DG H2' 5.000 3.600 6.400 5.677 5.437 5.930 . 0 0 "[ . 1]" 2
770 1 12 DG H1 1 17 DG H2'' 6.000 4.200 7.800 5.644 5.400 5.869 . 0 0 "[ . 1]" 2
771 1 4 DG H2' 1 5 DG H1 4.200 3.000 5.400 4.960 4.506 5.459 0.059 4 0 "[ . 1]" 2
772 1 4 DG H2'' 1 5 DG H1 4.200 3.000 5.400 4.886 4.757 5.024 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 19.800
_Distance_constraint_stats_list.Viol_max 0.757
_Distance_constraint_stats_list.Viol_rms 0.2223
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0990
_Distance_constraint_stats_list.Viol_average_violations_only 0.3300
_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 DT 1.607 0.757 5 2 "[ + -1]"
1 18 DG 0.373 0.174 9 0 "[ . 1]"
1 19 DT 0.373 0.174 9 0 "[ . 1]"
1 21 DA 1.607 0.757 5 2 "[ + -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 DT Q5' 1 21 DA H2 8.000 4.200 80.000 6.280 3.443 8.770 0.757 5 2 "[ + -1]" 3
2 1 18 DG H2' 1 19 DT H3' 8.000 4.200 80.000 5.665 4.026 6.982 0.174 9 0 "[ . 1]" 3
stop_
save_
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