NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604495 |
2n3m   |
25651 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3m
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 358
_Distance_constraint_stats_list.Viol_count 411
_Distance_constraint_stats_list.Viol_total 316.426
_Distance_constraint_stats_list.Viol_max 0.978
_Distance_constraint_stats_list.Viol_rms 0.0581
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0770
_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 3.745 0.803 7 3 "[ .*+- 1]"
1 2 DG 2.699 0.803 7 2 "[ . +- 1]"
1 3 DG 1.823 0.253 2 0 "[ . 1]"
1 4 DT 0.151 0.061 2 0 "[ . 1]"
1 5 DG 0.125 0.035 8 0 "[ . 1]"
1 6 DG 1.863 0.280 3 0 "[ . 1]"
1 7 DT 1.011 0.113 2 0 "[ . 1]"
1 8 DG 0.641 0.113 2 0 "[ . 1]"
1 9 DG 1.011 0.064 1 0 "[ . 1]"
1 10 DT 0.230 0.048 5 0 "[ . 1]"
1 11 DT 1.240 0.092 1 0 "[ . 1]"
1 12 DG 1.474 0.103 2 0 "[ . 1]"
1 13 DT 0.677 0.125 5 0 "[ . 1]"
1 14 DT 1.140 0.125 5 0 "[ . 1]"
1 15 DG 1.043 0.103 2 0 "[ . 1]"
1 16 DT 0.963 0.486 3 0 "[ . 1]"
1 17 DG 0.511 0.077 8 0 "[ . 1]"
1 18 DG 0.517 0.077 8 0 "[ . 1]"
1 19 DT 7.907 0.757 2 4 "[ + * **]"
1 20 DG 3.552 0.725 10 2 "[ - . +]"
1 21 DG 0.220 0.055 6 0 "[ . 1]"
1 22 DT 0.369 0.136 1 0 "[ . 1]"
1 23 DG 1.976 0.280 3 0 "[ . 1]"
1 24 DG 9.754 0.978 6 6 "[* * *+* *1]"
1 25 DT 9.369 0.978 6 6 "[* * *+* *1]"
1 26 DG 0.407 0.044 9 0 "[ . 1]"
1 27 DG 0.596 0.081 7 0 "[ . 1]"
1 28 DT 0.694 0.081 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT C7 1 2 DG H1 6.000 4.200 8.300 7.891 7.346 8.330 0.030 5 0 "[ . 1]" 1
2 1 2 DG H1 1 3 DG H1 4.200 3.000 5.400 3.403 3.120 3.792 . 0 0 "[ . 1]" 1
3 1 2 DG H1 1 5 DG H8 5.000 3.600 6.400 5.349 5.037 5.638 . 0 0 "[ . 1]" 1
4 1 3 DG H1 1 5 DG H8 5.000 3.600 6.400 5.750 4.853 6.344 . 0 0 "[ . 1]" 1
5 1 3 DG H1 1 5 DG H2' 6.000 4.200 7.800 6.184 5.321 6.553 . 0 0 "[ . 1]" 1
6 1 3 DG H1 1 5 DG H2'' 6.000 4.200 7.800 6.711 6.154 7.078 . 0 0 "[ . 1]" 1
7 1 3 DG H1 1 6 DG H8 5.000 3.600 6.400 5.448 5.100 5.824 . 0 0 "[ . 1]" 1
8 1 5 DG H1 1 6 DG H1 4.200 3.000 5.400 3.634 3.340 3.894 . 0 0 "[ . 1]" 1
9 1 5 DG H1 1 8 DG H8 5.000 3.600 6.400 5.257 4.998 5.709 . 0 0 "[ . 1]" 1
10 1 6 DG H1 1 8 DG H2'' 6.000 4.200 7.800 6.704 6.316 7.059 . 0 0 "[ . 1]" 1
11 1 6 DG H1 1 8 DG H2' 6.000 4.200 7.800 6.306 5.895 6.698 . 0 0 "[ . 1]" 1
12 1 6 DG H1 1 8 DG H8 5.000 3.600 6.400 6.028 5.436 6.396 . 0 0 "[ . 1]" 1
13 1 6 DG H1 1 9 DG H8 5.000 3.600 6.400 5.320 4.992 5.620 . 0 0 "[ . 1]" 1
14 1 8 DG H1 1 9 DG H1 4.200 3.000 5.400 3.647 3.447 3.945 . 0 0 "[ . 1]" 1
15 1 8 DG H1 1 11 DT C7 4.200 3.000 5.900 4.944 4.635 5.563 . 0 0 "[ . 1]" 1
16 1 8 DG H1 1 11 DT H2'' 6.000 4.200 7.800 6.712 5.901 7.020 . 0 0 "[ . 1]" 1
17 1 8 DG H1 1 11 DT H2' 6.000 4.200 7.800 6.504 6.206 6.940 . 0 0 "[ . 1]" 1
18 1 8 DG H1 1 12 DG H8 5.000 3.600 6.400 5.513 5.289 5.909 . 0 0 "[ . 1]" 1
19 1 9 DG H1 1 15 DG H8 5.000 3.600 6.400 5.016 4.541 5.420 . 0 0 "[ . 1]" 1
20 1 9 DG H1 1 26 DG H1 4.200 3.000 5.400 3.263 2.966 3.809 0.034 10 0 "[ . 1]" 1
21 1 1 DT C7 1 12 DG H1 4.200 3.000 5.900 4.647 4.124 5.202 . 0 0 "[ . 1]" 1
22 1 2 DG H8 1 12 DG H1 5.000 3.600 6.400 5.272 4.969 5.785 . 0 0 "[ . 1]" 1
23 1 12 DG H1 1 15 DG H1 4.200 3.000 5.400 3.577 3.062 4.243 . 0 0 "[ . 1]" 1
24 1 2 DG H8 1 15 DG H1 5.000 3.600 6.400 5.676 5.397 6.151 . 0 0 "[ . 1]" 1
25 1 3 DG H8 1 15 DG H1 5.000 3.600 6.400 5.150 4.938 5.378 . 0 0 "[ . 1]" 1
26 1 3 DG H8 1 17 DG H1 6.000 4.200 7.800 5.919 5.397 6.474 . 0 0 "[ . 1]" 1
27 1 17 DG H1 1 20 DG H8 5.000 3.600 6.400 5.407 5.227 6.006 . 0 0 "[ . 1]" 1
28 1 18 DG H1 1 20 DG H8 5.000 3.600 6.400 5.747 5.295 6.133 . 0 0 "[ . 1]" 1
29 1 18 DG H1 1 20 DG H2' 6.000 4.200 7.800 5.828 5.267 6.436 . 0 0 "[ . 1]" 1
30 1 18 DG H1 1 20 DG H2'' 6.000 4.200 7.800 6.212 5.684 6.807 . 0 0 "[ . 1]" 1
31 1 18 DG H1 1 21 DG H8 5.000 3.600 6.400 5.022 4.787 5.349 . 0 0 "[ . 1]" 1
32 1 20 DG H1 1 21 DG H1 4.200 3.000 5.400 3.803 3.389 4.522 . 0 0 "[ . 1]" 1
33 1 20 DG H1 1 23 DG H8 5.000 3.600 6.400 5.391 4.928 5.767 . 0 0 "[ . 1]" 1
34 1 21 DG H1 1 23 DG H2' 6.000 4.200 7.800 5.787 4.816 6.682 . 0 0 "[ . 1]" 1
35 1 21 DG H1 1 23 DG H2'' 6.000 4.200 7.800 6.333 5.518 7.088 . 0 0 "[ . 1]" 1
36 1 21 DG H1 1 23 DG H8 5.000 3.600 6.400 5.822 5.326 6.382 . 0 0 "[ . 1]" 1
37 1 21 DG H1 1 24 DG H8 5.000 3.600 6.400 5.142 4.748 5.525 . 0 0 "[ . 1]" 1
38 1 6 DG H1 1 23 DG H1 4.200 3.000 5.400 3.419 3.134 3.899 . 0 0 "[ . 1]" 1
39 1 23 DG H1 1 24 DG H1 4.200 3.000 5.400 3.695 3.345 3.963 . 0 0 "[ . 1]" 1
40 1 23 DG H1 1 26 DG H8 5.000 3.600 6.400 5.478 5.270 5.913 . 0 0 "[ . 1]" 1
41 1 24 DG H1 1 26 DG H8 5.000 3.600 6.400 5.587 5.135 6.149 . 0 0 "[ . 1]" 1
42 1 24 DG H1 1 27 DG H8 5.000 3.600 6.400 5.024 4.637 5.438 . 0 0 "[ . 1]" 1
43 1 24 DG H1 1 28 DT C7 6.000 4.200 8.300 6.937 5.039 8.317 0.017 8 0 "[ . 1]" 1
44 1 15 DG H8 1 26 DG H1 6.000 4.200 7.800 5.292 4.582 5.623 . 0 0 "[ . 1]" 1
45 1 17 DG H8 1 26 DG H1 5.000 3.600 6.400 5.326 5.031 5.570 . 0 0 "[ . 1]" 1
46 1 17 DG H8 1 27 DG H1 5.000 3.600 6.400 5.587 5.217 5.998 . 0 0 "[ . 1]" 1
47 1 18 DG H8 1 27 DG H1 5.000 3.600 6.400 5.119 4.952 5.463 . 0 0 "[ . 1]" 1
48 1 1 DT H1' 1 1 DT Q5' 4.800 3.600 6.500 4.173 3.880 4.377 . 0 0 "[ . 1]" 1
49 1 1 DT H1' 1 2 DG Q5' 4.800 3.600 6.500 4.010 2.797 5.447 0.803 7 2 "[ . +- 1]" 1
50 1 1 DT C7 1 1 DT H6 2.400 . 3.500 2.661 2.651 2.671 . 0 0 "[ . 1]" 1
51 1 1 DT H1' 1 1 DT H6 3.000 2.250 3.750 3.715 3.657 3.731 . 0 0 "[ . 1]" 1
52 1 1 DT H2' 1 1 DT H6 2.400 . 3.000 2.188 1.932 2.365 . 0 0 "[ . 1]" 1
53 1 1 DT H2'' 1 1 DT H6 3.000 2.250 3.750 3.653 3.522 3.767 0.017 5 0 "[ . 1]" 1
54 1 1 DT H3' 1 1 DT H6 3.000 2.250 3.750 3.199 2.196 3.805 0.055 9 0 "[ . 1]" 1
55 1 1 DT H4' 1 1 DT H6 4.800 3.600 6.000 4.502 4.252 4.699 . 0 0 "[ . 1]" 1
56 1 1 DT Q5' 1 1 DT H6 3.800 2.850 5.250 3.571 2.233 4.348 0.617 6 2 "[ .+- 1]" 1
57 1 1 DT H6 1 14 DT H1' 4.800 3.600 6.000 4.596 3.571 5.720 0.029 7 0 "[ . 1]" 1
58 1 1 DT C7 1 2 DG H8 6.000 4.500 8.000 6.422 5.723 6.984 . 0 0 "[ . 1]" 1
59 1 1 DT H1' 1 2 DG H8 3.800 2.850 4.750 4.233 3.888 4.802 0.052 6 0 "[ . 1]" 1
60 1 1 DT H2' 1 2 DG H8 3.800 2.850 4.750 2.882 2.774 3.213 0.076 5 0 "[ . 1]" 1
61 1 1 DT H2'' 1 2 DG H8 3.000 2.250 3.750 2.407 2.218 2.845 0.032 8 0 "[ . 1]" 1
62 1 1 DT H3' 1 2 DG H8 3.800 2.850 4.750 4.389 3.530 4.772 0.022 10 0 "[ . 1]" 1
63 1 1 DT Q5' 1 2 DG H8 6.000 4.500 8.000 6.072 5.414 6.549 . 0 0 "[ . 1]" 1
64 1 1 DT H6 1 2 DG H8 3.800 2.850 4.750 4.714 4.388 4.807 0.057 3 0 "[ . 1]" 1
65 1 2 DG H1' 1 2 DG H8 3.800 2.850 4.750 3.903 3.871 3.919 . 0 0 "[ . 1]" 1
66 1 2 DG H2' 1 2 DG H8 3.000 2.250 3.750 2.615 2.285 3.022 . 0 0 "[ . 1]" 1
67 1 2 DG H2'' 1 2 DG H8 3.800 2.850 4.750 3.857 3.507 4.257 . 0 0 "[ . 1]" 1
68 1 2 DG H3' 1 2 DG H8 3.800 2.850 4.750 4.478 4.356 4.698 . 0 0 "[ . 1]" 1
69 1 2 DG H5' 1 2 DG H8 3.800 2.850 4.750 4.398 4.051 4.755 0.005 10 0 "[ . 1]" 1
70 1 2 DG H5'' 1 2 DG H8 3.800 2.850 4.750 4.425 3.195 4.839 0.089 2 0 "[ . 1]" 1
71 1 3 DG H1' 1 20 DG H1' 3.200 . 4.600 4.155 3.626 4.665 0.065 7 0 "[ . 1]" 1
72 1 3 DG H4' 1 4 DT C7 5.800 3.800 7.800 5.978 5.347 6.878 . 0 0 "[ . 1]" 1
73 1 2 DG H1' 1 3 DG H8 3.800 2.850 4.750 4.063 3.281 4.757 0.007 10 0 "[ . 1]" 1
74 1 2 DG H2' 1 3 DG H8 3.800 2.850 4.750 3.859 3.200 4.619 . 0 0 "[ . 1]" 1
75 1 2 DG H2'' 1 3 DG H8 3.000 2.250 3.750 2.680 2.231 3.310 0.019 5 0 "[ . 1]" 1
76 1 2 DG H3' 1 3 DG H8 4.800 3.600 6.000 5.307 4.592 6.005 0.005 7 0 "[ . 1]" 1
77 1 3 DG H1' 1 3 DG H8 3.800 2.850 4.750 3.904 3.864 3.919 . 0 0 "[ . 1]" 1
78 1 3 DG H2' 1 3 DG H8 3.000 2.250 3.750 2.456 2.206 3.137 0.044 9 0 "[ . 1]" 1
79 1 3 DG H2'' 1 3 DG H8 3.800 2.850 4.750 3.856 3.638 4.147 . 0 0 "[ . 1]" 1
80 1 3 DG H3' 1 3 DG H8 3.800 2.850 4.750 4.143 3.603 4.583 . 0 0 "[ . 1]" 1
81 1 3 DG H8 1 19 DT H1' 4.800 3.600 6.000 6.038 5.965 6.081 0.081 10 0 "[ . 1]" 1
82 1 3 DG H8 1 19 DT Q2' 4.800 3.600 6.500 3.782 3.347 4.340 0.253 2 0 "[ . 1]" 1
83 1 3 DG H8 1 20 DG H8 3.800 2.850 4.750 4.101 3.936 4.305 . 0 0 "[ . 1]" 1
84 1 4 DT C7 1 4 DT H1' 4.800 3.600 6.500 5.788 5.694 5.837 . 0 0 "[ . 1]" 1
85 1 4 DT H1' 1 4 DT H6 3.800 2.850 4.750 3.670 3.556 3.731 . 0 0 "[ . 1]" 1
86 1 4 DT H2' 1 4 DT H6 3.000 2.250 3.750 2.799 2.222 3.367 0.028 2 0 "[ . 1]" 1
87 1 4 DT H2'' 1 4 DT H6 3.800 2.850 4.750 4.134 3.724 4.537 . 0 0 "[ . 1]" 1
88 1 4 DT H3' 1 4 DT H6 3.800 2.850 4.750 4.333 3.780 4.752 0.002 5 0 "[ . 1]" 1
89 1 4 DT H4' 1 4 DT H6 4.800 3.600 6.000 4.274 4.007 4.574 . 0 0 "[ . 1]" 1
90 1 4 DT H5' 1 4 DT H6 3.200 . 4.600 3.589 2.436 4.661 0.061 2 0 "[ . 1]" 1
91 1 4 DT H5'' 1 4 DT H6 3.200 . 4.600 3.471 2.362 4.607 0.007 3 0 "[ . 1]" 1
92 1 5 DG H1' 1 7 DT C7 6.000 4.500 8.000 6.245 4.647 7.357 . 0 0 "[ . 1]" 1
93 1 5 DG H4' 1 7 DT C7 6.000 4.500 8.000 6.904 4.998 8.013 0.013 5 0 "[ . 1]" 1
94 1 4 DT H1' 1 5 DG H8 6.000 4.500 7.500 6.399 5.931 6.864 . 0 0 "[ . 1]" 1
95 1 4 DT H2' 1 5 DG H8 4.800 3.600 6.000 4.897 3.686 5.739 . 0 0 "[ . 1]" 1
96 1 4 DT H2'' 1 5 DG H8 3.800 2.850 4.750 4.645 4.160 4.771 0.021 6 0 "[ . 1]" 1
97 1 4 DT H3' 1 5 DG H8 3.800 2.850 4.750 3.622 2.954 4.359 . 0 0 "[ . 1]" 1
98 1 5 DG H1' 1 5 DG H8 3.800 2.850 4.750 3.842 3.760 3.881 . 0 0 "[ . 1]" 1
99 1 5 DG H2' 1 5 DG H8 3.000 2.250 3.750 3.142 2.915 3.471 . 0 0 "[ . 1]" 1
100 1 5 DG H2'' 1 5 DG H8 3.800 2.850 4.750 4.291 4.142 4.510 . 0 0 "[ . 1]" 1
101 1 5 DG H3' 1 5 DG H8 3.800 2.850 4.750 4.495 3.976 4.734 . 0 0 "[ . 1]" 1
102 1 5 DG H8 1 6 DG H8 4.800 3.600 6.000 5.225 4.940 5.542 . 0 0 "[ . 1]" 1
103 1 6 DG H1' 1 23 DG H1' 3.200 . 4.600 4.334 3.840 4.648 0.048 5 0 "[ . 1]" 1
104 1 6 DG H3' 1 22 DT Q2' 3.200 . 5.100 2.280 1.991 2.733 . 0 0 "[ . 1]" 1
105 1 6 DG H4' 1 7 DT C7 3.800 2.850 5.250 4.925 4.182 5.312 0.062 7 0 "[ . 1]" 1
106 1 5 DG H1' 1 6 DG H8 3.800 2.850 4.750 4.108 3.784 4.531 . 0 0 "[ . 1]" 1
107 1 5 DG H2' 1 6 DG H8 3.200 . 4.600 2.789 2.664 2.913 . 0 0 "[ . 1]" 1
108 1 5 DG H2'' 1 6 DG H8 3.200 . 4.600 2.276 2.060 2.750 . 0 0 "[ . 1]" 1
109 1 5 DG H3' 1 6 DG H8 3.200 . 4.600 4.517 4.272 4.635 0.035 8 0 "[ . 1]" 1
110 1 6 DG H1' 1 6 DG H8 3.800 2.850 4.750 3.909 3.885 3.921 . 0 0 "[ . 1]" 1
111 1 6 DG Q2' 1 6 DG H8 3.000 2.250 4.250 2.581 2.363 2.908 . 0 0 "[ . 1]" 1
112 1 6 DG H3' 1 6 DG H8 3.800 2.850 4.750 4.389 4.043 4.756 0.006 5 0 "[ . 1]" 1
113 1 6 DG H8 1 22 DT H3' 4.800 3.600 6.000 4.829 4.310 5.927 . 0 0 "[ . 1]" 1
114 1 6 DG H8 1 23 DG H8 3.800 2.850 4.750 4.233 3.895 4.557 . 0 0 "[ . 1]" 1
115 1 7 DT C7 1 7 DT H1' 6.000 4.500 8.000 5.733 5.608 5.836 . 0 0 "[ . 1]" 1
116 1 6 DG H4' 1 7 DT H6 5.800 3.800 7.800 3.768 3.724 3.863 0.076 1 0 "[ . 1]" 1
117 1 7 DT H1' 1 7 DT H6 3.800 2.850 4.750 3.583 3.390 3.727 . 0 0 "[ . 1]" 1
118 1 7 DT H3' 1 7 DT H6 3.800 2.850 4.750 4.342 4.108 4.793 0.043 2 0 "[ . 1]" 1
119 1 7 DT H4' 1 7 DT H6 4.800 3.600 6.000 4.556 3.816 5.323 . 0 0 "[ . 1]" 1
120 1 8 DG H1' 1 11 DT C7 3.200 . 5.100 3.519 2.715 4.076 . 0 0 "[ . 1]" 1
121 1 8 DG H4' 1 11 DT C7 4.800 3.600 6.500 6.065 5.099 6.512 0.012 1 0 "[ . 1]" 1
122 1 7 DT H1' 1 8 DG H8 4.800 3.600 6.000 5.474 4.801 6.113 0.113 2 0 "[ . 1]" 1
123 1 7 DT H2' 1 8 DG H8 4.800 3.600 6.000 4.483 3.517 5.322 0.083 2 0 "[ . 1]" 1
124 1 7 DT H2'' 1 8 DG H8 3.800 2.850 4.750 3.704 2.993 4.186 . 0 0 "[ . 1]" 1
125 1 7 DT H3' 1 8 DG H8 4.800 3.600 6.000 4.083 3.563 4.694 0.037 2 0 "[ . 1]" 1
126 1 7 DT H4' 1 8 DG H8 6.000 4.500 7.500 5.863 5.013 6.873 . 0 0 "[ . 1]" 1
127 1 7 DT H6 1 8 DG H8 6.000 4.500 7.500 6.686 5.822 7.536 0.036 3 0 "[ . 1]" 1
128 1 8 DG H1' 1 8 DG H8 3.800 2.850 4.750 3.845 3.762 3.887 . 0 0 "[ . 1]" 1
129 1 8 DG H2' 1 8 DG H8 3.000 2.250 3.750 3.160 2.938 3.512 . 0 0 "[ . 1]" 1
130 1 8 DG H2'' 1 8 DG H8 3.800 2.850 4.750 4.341 4.180 4.496 . 0 0 "[ . 1]" 1
131 1 8 DG H3' 1 8 DG H8 4.800 3.600 6.000 4.612 4.466 4.843 . 0 0 "[ . 1]" 1
132 1 8 DG H8 1 9 DG H8 4.800 3.600 6.000 5.263 4.996 5.549 . 0 0 "[ . 1]" 1
133 1 8 DG H8 1 11 DT C7 6.000 4.500 8.000 6.063 5.403 6.398 . 0 0 "[ . 1]" 1
134 1 9 DG H1' 1 26 DG H1' 3.800 2.850 4.750 4.417 4.122 4.762 0.012 2 0 "[ . 1]" 1
135 1 9 DG H3' 1 10 DT H3' 4.800 3.600 6.000 4.315 3.980 5.335 . 0 0 "[ . 1]" 1
136 1 9 DG H3' 1 25 DT H2' 3.800 2.850 4.750 3.090 2.822 3.964 0.028 1 0 "[ . 1]" 1
137 1 9 DG H3' 1 25 DT H2'' 3.800 2.850 4.750 3.316 2.844 4.127 0.006 6 0 "[ . 1]" 1
138 1 9 DG H3' 1 25 DT H3' 3.200 . 4.600 3.998 3.203 4.639 0.039 9 0 "[ . 1]" 1
139 1 9 DG H4' 1 10 DT Q2' 3.800 2.850 5.250 4.310 3.791 4.744 . 0 0 "[ . 1]" 1
140 1 9 DG H4' 1 10 DT H3' 3.200 . 4.600 2.753 2.372 3.750 . 0 0 "[ . 1]" 1
141 1 9 DG H4' 1 11 DT H2' 3.800 2.850 4.750 3.604 3.389 3.913 . 0 0 "[ . 1]" 1
142 1 9 DG H4' 1 11 DT H2'' 3.200 . 4.600 4.622 4.514 4.664 0.064 1 0 "[ . 1]" 1
143 1 8 DG H1' 1 9 DG H8 3.800 2.850 4.750 4.008 3.686 4.412 . 0 0 "[ . 1]" 1
144 1 8 DG H2' 1 9 DG H8 3.800 2.850 4.750 2.862 2.807 3.028 0.043 8 0 "[ . 1]" 1
145 1 8 DG H2'' 1 9 DG H8 3.200 . 4.600 2.205 2.026 2.493 . 0 0 "[ . 1]" 1
146 1 8 DG H3' 1 9 DG H8 3.200 . 4.600 4.558 4.365 4.655 0.055 8 0 "[ . 1]" 1
147 1 9 DG H1' 1 9 DG H8 3.800 2.850 4.750 3.921 3.908 3.928 . 0 0 "[ . 1]" 1
148 1 9 DG H2' 1 9 DG H8 3.000 2.250 3.750 2.555 2.457 2.709 . 0 0 "[ . 1]" 1
149 1 9 DG H2'' 1 9 DG H8 3.800 2.850 4.750 3.968 3.797 4.091 . 0 0 "[ . 1]" 1
150 1 9 DG H3' 1 9 DG H8 3.800 2.850 4.750 4.463 4.327 4.619 . 0 0 "[ . 1]" 1
151 1 9 DG H8 1 26 DG H8 3.800 2.850 4.750 4.322 4.037 4.540 . 0 0 "[ . 1]" 1
152 1 10 DT C7 1 10 DT H1' 4.800 3.600 6.500 5.812 5.765 5.832 . 0 0 "[ . 1]" 1
153 1 10 DT C7 1 10 DT Q2' 3.800 2.850 5.750 4.579 4.261 4.890 . 0 0 "[ . 1]" 1
154 1 10 DT C7 1 10 DT H3' 6.000 4.500 8.000 6.371 5.367 6.966 . 0 0 "[ . 1]" 1
155 1 10 DT H3' 1 11 DT H2' 6.000 4.500 7.500 4.745 4.452 5.302 0.048 5 0 "[ . 1]" 1
156 1 10 DT H3' 1 11 DT H2'' 6.000 4.500 7.500 6.119 5.736 6.633 . 0 0 "[ . 1]" 1
157 1 10 DT H4' 1 11 DT H2' 4.800 3.600 6.000 4.602 3.998 5.095 . 0 0 "[ . 1]" 1
158 1 10 DT H1' 1 10 DT H6 3.800 2.850 4.750 3.703 3.639 3.730 . 0 0 "[ . 1]" 1
159 1 10 DT H3' 1 10 DT H6 3.800 2.850 4.750 3.833 2.893 4.445 . 0 0 "[ . 1]" 1
160 1 10 DT H4' 1 10 DT H6 4.800 3.600 6.000 4.414 3.920 5.092 . 0 0 "[ . 1]" 1
161 1 11 DT H1' 1 14 DT C7 3.800 2.850 5.250 3.440 3.054 4.103 . 0 0 "[ . 1]" 1
162 1 10 DT H4' 1 11 DT H3' 3.800 2.850 4.750 3.226 2.909 3.878 . 0 0 "[ . 1]" 1
163 1 11 DT H4' 1 14 DT C7 3.800 2.850 5.250 3.738 3.283 4.350 . 0 0 "[ . 1]" 1
164 1 9 DG H4' 1 11 DT H6 5.800 3.800 7.800 4.370 3.786 4.886 0.014 9 0 "[ . 1]" 1
165 1 10 DT H3' 1 11 DT H6 4.800 3.600 6.000 5.082 4.495 5.898 . 0 0 "[ . 1]" 1
166 1 10 DT H4' 1 11 DT H6 4.800 3.600 6.000 5.578 4.813 6.031 0.031 6 0 "[ . 1]" 1
167 1 11 DT C7 1 11 DT H6 2.400 . 3.500 2.663 2.658 2.667 . 0 0 "[ . 1]" 1
168 1 11 DT H1' 1 11 DT H6 3.000 2.250 3.750 3.688 3.356 3.734 . 0 0 "[ . 1]" 1
169 1 11 DT H2' 1 11 DT H6 2.400 . 3.000 2.130 1.958 2.208 . 0 0 "[ . 1]" 1
170 1 11 DT H2'' 1 11 DT H6 3.000 2.250 3.750 3.603 2.586 3.796 0.046 3 0 "[ . 1]" 1
171 1 11 DT H3' 1 11 DT H6 3.800 2.850 4.750 4.101 3.963 4.332 . 0 0 "[ . 1]" 1
172 1 11 DT Q5' 1 11 DT H6 4.800 3.600 6.500 3.927 3.555 5.225 0.045 10 0 "[ . 1]" 1
173 1 11 DT H6 1 14 DT C7 6.000 4.500 8.000 6.709 6.394 7.338 . 0 0 "[ . 1]" 1
174 1 12 DG H1' 1 14 DT H2' 3.800 2.850 4.750 3.062 2.792 3.770 0.058 5 0 "[ . 1]" 1
175 1 12 DG H1' 1 14 DT H2'' 3.800 2.850 4.750 3.026 2.790 4.456 0.060 1 0 "[ . 1]" 1
176 1 12 DG H1' 1 14 DT H6 5.800 4.000 7.800 4.669 4.017 5.415 . 0 0 "[ . 1]" 1
177 1 12 DG H1' 1 15 DG H3' 4.800 3.600 6.000 4.257 4.104 4.642 . 0 0 "[ . 1]" 1
178 1 12 DG H1' 1 15 DG H4' 4.800 3.600 6.000 5.110 4.594 5.601 . 0 0 "[ . 1]" 1
179 1 12 DG H1' 1 15 DG H5' 3.200 . 4.600 3.402 2.276 4.577 . 0 0 "[ . 1]" 1
180 1 12 DG H1' 1 15 DG H5'' 3.200 . 4.600 3.064 2.318 4.155 . 0 0 "[ . 1]" 1
181 1 12 DG H4' 1 14 DT C7 3.200 . 5.100 4.532 3.369 5.122 0.022 5 0 "[ . 1]" 1
182 1 11 DT H1' 1 12 DG H8 3.800 2.850 4.750 3.242 2.841 4.095 0.009 9 0 "[ . 1]" 1
183 1 11 DT H2' 1 12 DG H8 3.800 2.850 4.750 3.547 3.270 4.506 . 0 0 "[ . 1]" 1
184 1 11 DT H2'' 1 12 DG H8 3.000 2.250 3.750 2.288 2.206 2.732 0.044 9 0 "[ . 1]" 1
185 1 11 DT H3' 1 12 DG H8 3.800 2.850 4.750 4.674 4.351 4.842 0.092 1 0 "[ . 1]" 1
186 1 11 DT H6 1 12 DG H8 3.800 2.850 4.750 4.741 4.647 4.793 0.043 9 0 "[ . 1]" 1
187 1 12 DG H1' 1 12 DG H8 3.800 2.850 4.750 3.850 3.787 3.911 . 0 0 "[ . 1]" 1
188 1 12 DG Q2' 1 12 DG H8 3.000 2.250 4.250 3.198 2.959 3.496 . 0 0 "[ . 1]" 1
189 1 12 DG H8 1 14 DT C7 4.800 3.600 6.500 5.856 4.773 6.530 0.030 3 0 "[ . 1]" 1
190 1 13 DT C7 1 13 DT H1' 4.800 3.600 6.500 5.818 5.771 5.844 . 0 0 "[ . 1]" 1
191 1 13 DT C7 1 13 DT H2' 6.000 4.500 8.000 4.831 4.618 5.114 . 0 0 "[ . 1]" 1
192 1 13 DT C7 1 13 DT H2'' 6.000 4.500 8.000 6.036 5.751 6.397 . 0 0 "[ . 1]" 1
193 1 12 DG H4' 1 13 DT H3' 3.200 . 4.600 4.185 2.676 4.635 0.035 2 0 "[ . 1]" 1
194 1 13 DT H3' 1 14 DT H2' 4.800 3.600 6.000 4.431 3.608 5.938 . 0 0 "[ . 1]" 1
195 1 13 DT H3' 1 14 DT H4' 3.800 2.850 4.750 4.772 4.700 4.802 0.052 5 0 "[ . 1]" 1
196 1 13 DT H1' 1 13 DT H6 3.800 2.850 4.750 3.709 3.654 3.747 . 0 0 "[ . 1]" 1
197 1 13 DT H2' 1 13 DT H6 3.000 2.250 3.750 2.596 2.196 3.029 0.054 9 0 "[ . 1]" 1
198 1 13 DT H2'' 1 13 DT H6 3.800 2.850 4.750 3.918 3.586 4.258 . 0 0 "[ . 1]" 1
199 1 13 DT H3' 1 13 DT H6 3.800 2.850 4.750 4.098 2.996 4.402 . 0 0 "[ . 1]" 1
200 1 13 DT H4' 1 13 DT H6 4.800 3.600 6.000 4.398 3.932 4.671 . 0 0 "[ . 1]" 1
201 1 1 DT C7 1 14 DT H1' 3.800 2.850 4.750 4.429 3.892 4.753 0.003 9 0 "[ . 1]" 1
202 1 1 DT C7 1 14 DT H2'' 4.800 3.600 6.500 3.842 3.572 4.679 0.028 5 0 "[ . 1]" 1
203 1 1 DT C7 1 14 DT H6 4.800 3.600 6.500 5.878 5.428 6.326 . 0 0 "[ . 1]" 1
204 1 11 DT H1' 1 14 DT H6 6.000 4.500 7.500 4.964 4.494 5.863 0.006 5 0 "[ . 1]" 1
205 1 13 DT H3' 1 14 DT H6 4.800 3.600 6.000 3.839 3.475 4.631 0.125 5 0 "[ . 1]" 1
206 1 13 DT H4' 1 14 DT H6 4.800 3.600 6.000 5.669 5.230 6.060 0.060 8 0 "[ . 1]" 1
207 1 14 DT H1' 1 14 DT H6 3.800 2.850 4.750 3.720 3.657 3.739 . 0 0 "[ . 1]" 1
208 1 14 DT H2' 1 14 DT H6 3.000 2.250 3.750 2.425 2.233 3.152 0.017 1 0 "[ . 1]" 1
209 1 14 DT H2'' 1 14 DT H6 3.800 2.850 4.750 3.803 3.419 4.347 . 0 0 "[ . 1]" 1
210 1 14 DT H3' 1 14 DT H6 4.800 3.600 6.000 4.064 3.889 4.207 . 0 0 "[ . 1]" 1
211 1 14 DT H4' 1 14 DT H6 4.800 3.600 6.000 4.471 3.787 4.655 . 0 0 "[ . 1]" 1
212 1 12 DG Q2' 1 15 DG H1' 3.200 . 5.100 4.476 4.284 4.668 . 0 0 "[ . 1]" 1
213 1 15 DG H1' 1 17 DG H1' 3.800 2.850 4.750 4.250 3.707 4.619 . 0 0 "[ . 1]" 1
214 1 15 DG H1' 1 17 DG Q5' 3.200 . 5.100 3.267 2.439 3.746 . 0 0 "[ . 1]" 1
215 1 12 DG H1' 1 15 DG H8 3.800 2.850 4.750 4.107 3.827 4.331 . 0 0 "[ . 1]" 1
216 1 12 DG Q2' 1 15 DG H8 3.200 . 5.100 2.166 2.036 2.290 . 0 0 "[ . 1]" 1
217 1 12 DG H3' 1 15 DG H8 6.000 4.500 7.500 4.441 4.397 4.479 0.103 2 0 "[ . 1]" 1
218 1 15 DG H1' 1 15 DG H8 3.800 2.850 4.750 3.876 3.858 3.890 . 0 0 "[ . 1]" 1
219 1 15 DG H2' 1 15 DG H8 3.000 2.250 3.750 2.214 2.175 2.286 0.075 5 0 "[ . 1]" 1
220 1 15 DG H2'' 1 15 DG H8 3.800 2.850 4.750 3.755 3.615 3.820 . 0 0 "[ . 1]" 1
221 1 15 DG H3' 1 15 DG H8 3.000 2.250 3.750 3.441 2.926 3.754 0.004 3 0 "[ . 1]" 1
222 1 15 DG H8 1 17 DG H8 3.800 2.850 4.750 4.265 3.911 4.755 0.005 9 0 "[ . 1]" 1
223 1 16 DT H1' 1 16 DT Q5' 4.800 3.600 6.500 4.037 3.985 4.271 . 0 0 "[ . 1]" 1
224 1 16 DT H1' 1 17 DG H3' 5.800 3.800 7.800 5.295 3.973 6.870 . 0 0 "[ . 1]" 1
225 1 16 DT H1' 1 16 DT H6 3.000 2.250 3.750 3.640 3.330 3.714 . 0 0 "[ . 1]" 1
226 1 16 DT H2' 1 16 DT H6 3.000 2.250 3.750 2.776 2.216 3.430 0.034 8 0 "[ . 1]" 1
227 1 16 DT H2'' 1 16 DT H6 3.800 2.850 4.750 3.979 2.820 4.498 0.030 8 0 "[ . 1]" 1
228 1 16 DT H3' 1 16 DT H6 3.800 2.850 4.750 4.324 3.926 4.759 0.009 2 0 "[ . 1]" 1
229 1 16 DT H4' 1 16 DT H6 4.800 3.600 6.000 4.449 4.060 5.432 . 0 0 "[ . 1]" 1
230 1 16 DT Q5' 1 16 DT H6 3.800 2.850 5.250 3.094 2.364 4.559 0.486 3 0 "[ . 1]" 1
231 1 16 DT H6 1 28 DT H1' 6.000 4.500 7.500 6.792 5.659 7.511 0.011 2 0 "[ . 1]" 1
232 1 15 DG H1' 1 17 DG H8 3.800 2.850 4.750 3.396 3.106 3.680 . 0 0 "[ . 1]" 1
233 1 15 DG H2' 1 17 DG H8 3.800 2.850 4.750 3.174 2.889 3.563 . 0 0 "[ . 1]" 1
234 1 15 DG H2'' 1 17 DG H8 3.000 2.250 3.750 2.601 2.197 2.887 0.053 2 0 "[ . 1]" 1
235 1 15 DG H3' 1 17 DG H8 4.800 3.600 6.000 5.280 5.021 5.682 . 0 0 "[ . 1]" 1
236 1 16 DT H3' 1 17 DG H8 6.000 4.500 7.500 6.405 5.183 7.072 . 0 0 "[ . 1]" 1
237 1 16 DT H4' 1 17 DG H8 4.800 3.600 6.000 4.734 4.332 5.450 . 0 0 "[ . 1]" 1
238 1 17 DG H1' 1 17 DG H8 3.800 2.850 4.750 3.872 3.818 3.923 . 0 0 "[ . 1]" 1
239 1 17 DG H2' 1 17 DG H8 3.000 2.250 3.750 2.988 2.500 3.301 . 0 0 "[ . 1]" 1
240 1 17 DG H2'' 1 17 DG H8 3.800 2.850 4.750 4.173 3.656 4.416 . 0 0 "[ . 1]" 1
241 1 17 DG H3' 1 17 DG H8 3.800 2.850 4.750 4.572 4.440 4.784 0.034 1 0 "[ . 1]" 1
242 1 17 DG H5' 1 17 DG H8 3.800 2.850 4.750 3.542 2.989 4.152 . 0 0 "[ . 1]" 1
243 1 17 DG H5'' 1 17 DG H8 3.800 2.850 4.750 4.313 3.897 4.509 . 0 0 "[ . 1]" 1
244 1 18 DG H1' 1 19 DT H3' 4.800 3.600 6.000 3.799 3.555 4.286 0.045 9 0 "[ . 1]" 1
245 1 17 DG H1' 1 18 DG H8 3.800 2.850 4.750 4.062 3.500 4.390 . 0 0 "[ . 1]" 1
246 1 17 DG H2' 1 18 DG H8 3.800 2.850 4.750 3.133 2.776 3.906 0.074 8 0 "[ . 1]" 1
247 1 17 DG H2'' 1 18 DG H8 3.000 2.250 3.750 2.257 2.225 2.416 0.025 7 0 "[ . 1]" 1
248 1 17 DG H3' 1 18 DG H8 4.800 3.600 6.000 4.617 4.067 5.414 . 0 0 "[ . 1]" 1
249 1 17 DG H4' 1 18 DG H8 4.800 3.600 6.000 5.993 5.780 6.077 0.077 8 0 "[ . 1]" 1
250 1 17 DG H8 1 18 DG H8 4.800 3.600 6.000 5.369 4.795 5.828 . 0 0 "[ . 1]" 1
251 1 18 DG H1' 1 18 DG H8 3.800 2.850 4.750 3.910 3.895 3.917 . 0 0 "[ . 1]" 1
252 1 18 DG H2' 1 18 DG H8 3.000 2.250 3.750 2.409 2.219 2.653 0.031 8 0 "[ . 1]" 1
253 1 18 DG H2'' 1 18 DG H8 3.800 2.850 4.750 3.732 3.514 3.963 . 0 0 "[ . 1]" 1
254 1 18 DG H3' 1 18 DG H8 3.800 2.850 4.750 4.395 4.203 4.477 . 0 0 "[ . 1]" 1
255 1 3 DG H2' 1 19 DT H1' 4.800 3.600 6.000 4.493 4.171 4.751 . 0 0 "[ . 1]" 1
256 1 3 DG H3' 1 19 DT H1' 4.800 3.600 6.000 3.633 3.499 3.990 0.101 1 0 "[ . 1]" 1
257 1 19 DT C7 1 19 DT H1' 6.000 4.500 8.000 5.806 5.736 5.834 . 0 0 "[ . 1]" 1
258 1 19 DT C7 1 19 DT H3' 6.000 4.500 8.000 6.210 5.212 6.969 . 0 0 "[ . 1]" 1
259 1 3 DG H3' 1 19 DT H6 4.800 3.600 6.000 5.907 5.450 6.063 0.063 1 0 "[ . 1]" 1
260 1 18 DG H1' 1 19 DT H6 4.800 3.600 6.000 5.138 4.070 5.708 . 0 0 "[ . 1]" 1
261 1 18 DG H3' 1 19 DT H6 6.000 4.500 7.500 5.249 4.741 5.590 . 0 0 "[ . 1]" 1
262 1 19 DT H1' 1 19 DT H6 3.800 2.850 4.750 3.698 3.632 3.738 . 0 0 "[ . 1]" 1
263 1 19 DT Q2' 1 19 DT H6 3.800 2.850 5.250 2.546 2.093 3.306 0.757 2 3 "[ + * -1]" 1
264 1 19 DT H3' 1 19 DT H6 3.800 2.850 4.750 3.697 2.846 4.435 0.004 5 0 "[ . 1]" 1
265 1 19 DT H4' 1 19 DT H6 3.800 2.850 4.750 4.418 4.119 4.667 . 0 0 "[ . 1]" 1
266 1 19 DT H5' 1 19 DT H6 3.800 2.850 4.750 4.374 3.891 4.676 . 0 0 "[ . 1]" 1
267 1 19 DT H5'' 1 19 DT H6 3.800 2.850 4.750 3.948 2.826 4.760 0.024 10 0 "[ . 1]" 1
268 1 3 DG H1' 1 20 DG H8 3.800 2.850 4.750 3.714 3.034 4.734 . 0 0 "[ . 1]" 1
269 1 3 DG H2' 1 20 DG H8 3.200 . 4.600 2.912 2.664 3.364 . 0 0 "[ . 1]" 1
270 1 3 DG H2'' 1 20 DG H8 3.200 . 4.600 2.400 2.012 3.433 . 0 0 "[ . 1]" 1
271 1 3 DG H3' 1 20 DG H8 3.800 2.850 4.750 4.775 4.683 4.845 0.095 10 0 "[ . 1]" 1
272 1 19 DT Q2' 1 20 DG H8 5.800 3.800 8.300 3.741 3.075 4.697 0.725 10 1 "[ . +]" 1
273 1 19 DT H3' 1 20 DG H8 4.800 3.600 6.000 4.143 3.084 4.780 0.516 2 1 "[ + . 1]" 1
274 1 20 DG H1' 1 20 DG H8 3.800 2.850 4.750 3.807 3.759 3.865 . 0 0 "[ . 1]" 1
275 1 20 DG H2' 1 20 DG H8 3.000 2.250 3.750 3.318 3.085 3.484 . 0 0 "[ . 1]" 1
276 1 20 DG H2'' 1 20 DG H8 3.800 2.850 4.750 4.386 4.284 4.473 . 0 0 "[ . 1]" 1
277 1 20 DG H1' 1 21 DG H8 3.800 2.850 4.750 4.213 3.936 4.510 . 0 0 "[ . 1]" 1
278 1 20 DG H2' 1 21 DG H8 3.800 2.850 4.750 2.921 2.795 3.316 0.055 6 0 "[ . 1]" 1
279 1 20 DG H2'' 1 21 DG H8 3.200 . 4.600 2.275 2.036 2.540 . 0 0 "[ . 1]" 1
280 1 20 DG H3' 1 21 DG H8 4.800 3.600 6.000 4.490 4.301 4.774 . 0 0 "[ . 1]" 1
281 1 21 DG H1' 1 21 DG H8 3.800 2.850 4.750 3.898 3.819 3.918 . 0 0 "[ . 1]" 1
282 1 21 DG H3' 1 21 DG H8 3.800 2.850 4.750 4.288 3.813 4.774 0.024 9 0 "[ . 1]" 1
283 1 21 DG H4' 1 21 DG H8 4.800 3.600 6.000 4.833 4.448 5.024 . 0 0 "[ . 1]" 1
284 1 6 DG Q2' 1 22 DT H1' 4.800 3.600 6.500 5.561 5.301 5.809 . 0 0 "[ . 1]" 1
285 1 6 DG H3' 1 22 DT H1' 4.800 3.600 6.000 4.753 4.224 5.248 . 0 0 "[ . 1]" 1
286 1 22 DT C7 1 22 DT H1' 6.000 4.500 8.000 5.827 5.811 5.843 . 0 0 "[ . 1]" 1
287 1 6 DG H3' 1 22 DT H6 4.800 3.600 6.000 5.031 4.392 5.998 . 0 0 "[ . 1]" 1
288 1 22 DT H1' 1 22 DT H6 3.800 2.850 4.750 3.721 3.701 3.742 . 0 0 "[ . 1]" 1
289 1 22 DT Q2' 1 22 DT H6 3.000 2.250 4.250 2.425 2.114 2.638 0.136 1 0 "[ . 1]" 1
290 1 22 DT H3' 1 22 DT H6 3.800 2.850 4.750 4.147 3.959 4.265 . 0 0 "[ . 1]" 1
291 1 22 DT H4' 1 22 DT H6 3.800 2.850 4.750 4.511 4.388 4.729 . 0 0 "[ . 1]" 1
292 1 22 DT H5' 1 22 DT H6 3.800 2.850 4.750 4.412 3.261 4.763 0.013 1 0 "[ . 1]" 1
293 1 22 DT H5'' 1 22 DT H6 3.800 2.850 4.750 3.276 2.898 4.177 . 0 0 "[ . 1]" 1
294 1 6 DG H1' 1 23 DG H8 3.800 2.850 4.750 3.952 3.425 4.660 . 0 0 "[ . 1]" 1
295 1 6 DG Q2' 1 23 DG H8 3.000 2.250 4.250 2.184 1.970 2.429 0.280 3 0 "[ . 1]" 1
296 1 6 DG H3' 1 23 DG H8 3.200 . 4.600 4.599 4.544 4.627 0.027 9 0 "[ . 1]" 1
297 1 22 DT H3' 1 23 DG H8 4.800 3.600 6.000 3.848 3.571 4.469 0.029 2 0 "[ . 1]" 1
298 1 22 DT H4' 1 23 DG H8 4.800 3.600 6.000 5.832 5.343 6.060 0.060 4 0 "[ . 1]" 1
299 1 23 DG H1' 1 23 DG H8 3.800 2.850 4.750 3.806 3.680 3.878 . 0 0 "[ . 1]" 1
300 1 23 DG H2' 1 23 DG H8 3.800 2.850 4.750 3.349 2.987 3.867 . 0 0 "[ . 1]" 1
301 1 23 DG H2'' 1 23 DG H8 4.800 3.600 6.000 4.409 4.234 4.667 . 0 0 "[ . 1]" 1
302 1 23 DG H3' 1 23 DG H8 3.800 2.850 4.750 4.624 4.286 4.783 0.033 8 0 "[ . 1]" 1
303 1 24 DG H1' 1 25 DT H3' 4.800 3.600 6.000 4.504 3.340 5.131 0.260 9 0 "[ . 1]" 1
304 1 24 DG H1' 1 25 DT H4' 3.800 2.850 4.750 4.634 4.550 4.683 . 0 0 "[ . 1]" 1
305 1 24 DG H3' 1 25 DT Q5' 6.000 4.500 8.000 4.276 3.804 4.969 0.696 9 2 "[ .- +1]" 1
306 1 24 DG H4' 1 25 DT Q5' 3.800 2.850 5.250 2.498 1.872 4.470 0.978 6 5 "[- * *+* 1]" 1
307 1 23 DG H1' 1 24 DG H8 3.800 2.850 4.750 4.671 4.064 4.789 0.039 5 0 "[ . 1]" 1
308 1 23 DG H2' 1 24 DG H8 3.800 2.850 4.750 3.039 2.819 3.732 0.031 5 0 "[ . 1]" 1
309 1 23 DG H2'' 1 24 DG H8 3.800 2.850 4.750 2.812 2.786 2.828 0.064 5 0 "[ . 1]" 1
310 1 23 DG H3' 1 24 DG H8 4.800 3.600 6.000 4.569 4.231 5.211 . 0 0 "[ . 1]" 1
311 1 24 DG H1' 1 24 DG H8 3.800 2.850 4.750 3.905 3.841 3.923 . 0 0 "[ . 1]" 1
312 1 24 DG H2' 1 24 DG H8 3.000 2.250 3.750 2.500 2.318 3.295 . 0 0 "[ . 1]" 1
313 1 24 DG H2'' 1 24 DG H8 3.800 2.850 4.750 3.846 3.516 4.620 . 0 0 "[ . 1]" 1
314 1 24 DG H3' 1 24 DG H8 3.800 2.850 4.750 4.319 3.967 4.463 . 0 0 "[ . 1]" 1
315 1 9 DG H3' 1 25 DT H1' 4.800 3.600 6.000 5.410 4.907 5.877 . 0 0 "[ . 1]" 1
316 1 9 DG H3' 1 25 DT H6 4.800 3.600 6.000 5.130 4.672 6.019 0.019 6 0 "[ . 1]" 1
317 1 25 DT H1' 1 25 DT H6 3.800 2.850 4.750 3.708 3.644 3.732 . 0 0 "[ . 1]" 1
318 1 25 DT H2' 1 25 DT H6 3.000 2.250 3.750 2.585 2.292 2.994 . 0 0 "[ . 1]" 1
319 1 25 DT H2'' 1 25 DT H6 3.800 2.850 4.750 3.955 3.637 4.220 . 0 0 "[ . 1]" 1
320 1 25 DT H3' 1 25 DT H6 3.800 2.850 4.750 4.205 4.037 4.337 . 0 0 "[ . 1]" 1
321 1 25 DT H4' 1 25 DT H6 3.800 2.850 4.750 4.410 4.194 4.608 . 0 0 "[ . 1]" 1
322 1 26 DG H1' 1 27 DG Q5' 3.800 2.850 5.250 3.262 2.876 4.236 . 0 0 "[ . 1]" 1
323 1 26 DG H4' 1 27 DG Q5' 3.800 2.850 5.250 4.438 4.108 4.585 . 0 0 "[ . 1]" 1
324 1 9 DG H1' 1 26 DG H8 3.800 2.850 4.750 3.907 3.053 4.503 . 0 0 "[ . 1]" 1
325 1 9 DG H2' 1 26 DG H8 3.800 2.850 4.750 3.021 2.806 3.357 0.044 1 0 "[ . 1]" 1
326 1 9 DG H2'' 1 26 DG H8 3.000 2.250 3.750 2.333 2.230 2.643 0.020 9 0 "[ . 1]" 1
327 1 9 DG H3' 1 26 DG H8 3.800 2.850 4.750 4.748 4.638 4.794 0.044 9 0 "[ . 1]" 1
328 1 25 DT H3' 1 26 DG H8 3.800 2.850 4.750 3.866 3.422 4.778 0.028 8 0 "[ . 1]" 1
329 1 26 DG H1' 1 26 DG H8 3.800 2.850 4.750 3.808 3.707 3.866 . 0 0 "[ . 1]" 1
330 1 26 DG H2' 1 26 DG H8 3.000 2.250 3.750 3.358 3.068 3.771 0.021 10 0 "[ . 1]" 1
331 1 26 DG H2'' 1 26 DG H8 3.800 2.850 4.750 4.464 4.054 4.752 0.002 1 0 "[ . 1]" 1
332 1 26 DG H3' 1 26 DG H8 3.800 2.850 4.750 4.533 4.237 4.728 . 0 0 "[ . 1]" 1
333 1 27 DG H1' 1 28 DT C7 4.800 3.600 6.500 6.008 5.797 6.204 . 0 0 "[ . 1]" 1
334 1 27 DG H2' 1 28 DT C7 4.800 3.600 6.500 3.633 3.519 4.140 0.081 7 0 "[ . 1]" 1
335 1 27 DG H2'' 1 28 DT C7 4.800 3.600 6.500 4.595 3.826 5.824 . 0 0 "[ . 1]" 1
336 1 27 DG H3' 1 28 DT C7 3.800 2.850 5.250 5.197 4.927 5.316 0.066 7 0 "[ . 1]" 1
337 1 26 DG H1' 1 27 DG H8 3.800 2.850 4.750 3.923 3.510 4.353 . 0 0 "[ . 1]" 1
338 1 26 DG H2' 1 27 DG H8 3.200 . 4.600 2.580 2.062 3.297 . 0 0 "[ . 1]" 1
339 1 26 DG H2'' 1 27 DG H8 3.200 . 4.600 2.153 1.969 2.332 . 0 0 "[ . 1]" 1
340 1 26 DG H3' 1 27 DG H8 3.200 . 4.600 4.080 3.395 4.566 . 0 0 "[ . 1]" 1
341 1 26 DG H4' 1 27 DG H8 4.800 3.600 6.000 5.770 5.316 6.029 0.029 3 0 "[ . 1]" 1
342 1 27 DG H1' 1 27 DG H8 3.800 2.850 4.750 3.881 3.798 3.915 . 0 0 "[ . 1]" 1
343 1 27 DG H2' 1 27 DG H8 3.000 2.250 3.750 2.915 2.543 3.765 0.015 10 0 "[ . 1]" 1
344 1 27 DG H2'' 1 27 DG H8 3.800 2.850 4.750 4.157 3.652 4.649 . 0 0 "[ . 1]" 1
345 1 27 DG H3' 1 27 DG H8 3.800 2.850 4.750 3.976 3.144 4.413 . 0 0 "[ . 1]" 1
346 1 27 DG Q5' 1 27 DG H8 3.200 . 5.100 3.937 3.522 4.212 . 0 0 "[ . 1]" 1
347 1 27 DG H8 1 28 DT C7 3.800 2.850 5.250 4.766 3.847 5.176 . 0 0 "[ . 1]" 1
348 1 27 DG H8 1 28 DT H6 4.800 3.600 6.000 5.608 4.899 6.007 0.007 2 0 "[ . 1]" 1
349 1 16 DT C7 1 28 DT H1' 6.000 4.500 8.000 7.539 5.929 8.010 0.010 8 0 "[ . 1]" 1
350 1 28 DT C7 1 28 DT H1' 6.000 4.500 8.000 5.835 5.823 5.842 . 0 0 "[ . 1]" 1
351 1 27 DG H1' 1 28 DT H6 4.800 3.600 6.000 5.123 4.602 5.631 . 0 0 "[ . 1]" 1
352 1 27 DG H2' 1 28 DT H6 3.800 2.850 4.750 3.190 2.825 3.874 0.025 10 0 "[ . 1]" 1
353 1 27 DG H2'' 1 28 DT H6 3.800 2.850 4.750 3.266 2.826 4.219 0.024 8 0 "[ . 1]" 1
354 1 27 DG H3' 1 28 DT H6 3.800 2.850 4.750 4.440 3.650 4.765 0.015 7 0 "[ . 1]" 1
355 1 28 DT H1' 1 28 DT H6 3.000 2.250 3.750 3.734 3.716 3.745 . 0 0 "[ . 1]" 1
356 1 28 DT H2' 1 28 DT H6 3.000 2.250 3.750 2.329 2.198 2.563 0.052 6 0 "[ . 1]" 1
357 1 28 DT H2'' 1 28 DT H6 3.800 2.850 4.750 3.789 3.666 3.959 . 0 0 "[ . 1]" 1
358 1 28 DT H3' 1 28 DT H6 3.800 2.850 4.750 3.951 3.575 4.182 . 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 16
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 1.879
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0470
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 0.000 0.000 . 0 "[ . 1]"
1 3 DG 0.087 0.047 2 0 "[ . 1]"
1 4 DT 0.087 0.047 2 0 "[ . 1]"
1 5 DG 0.000 0.000 . 0 "[ . 1]"
1 8 DG 0.000 0.000 . 0 "[ . 1]"
1 10 DT 0.000 0.000 . 0 "[ . 1]"
1 11 DT 0.000 0.000 . 0 "[ . 1]"
1 12 DG 0.000 0.000 . 0 "[ . 1]"
1 13 DT 0.000 0.000 . 0 "[ . 1]"
1 14 DT 0.000 0.000 . 0 "[ . 1]"
1 17 DG 0.100 0.100 10 0 "[ . 1]"
1 19 DT 0.100 0.100 10 0 "[ . 1]"
1 20 DG 0.000 0.000 . 0 "[ . 1]"
1 23 DG 0.000 0.000 . 0 "[ . 1]"
1 25 DT 0.000 0.000 . 0 "[ . 1]"
1 26 DG 0.000 0.000 . 0 "[ . 1]"
1 27 DG 0.000 0.000 . 0 "[ . 1]"
1 28 DT 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT H3' 1 19 DT C7 12.000 4.500 20.000 10.652 8.890 13.743 . 0 0 "[ . 1]" 2
2 1 4 DT H1' 1 5 DG H2' 12.000 4.000 20.000 8.247 7.878 8.760 . 0 0 "[ . 1]" 2
3 1 4 DT H1' 1 20 DG H4' 12.000 4.000 20.000 8.383 7.520 9.886 . 0 0 "[ . 1]" 2
4 1 3 DG H4' 1 4 DT H6 12.000 4.000 20.000 4.280 3.953 4.959 0.047 2 0 "[ . 1]" 2
5 1 4 DT H6 1 5 DG H3' 12.000 4.000 20.000 9.855 8.408 10.442 . 0 0 "[ . 1]" 2
6 1 4 DT C7 1 20 DG H4' 12.000 4.500 20.000 10.406 9.154 11.912 . 0 0 "[ . 1]" 2
7 1 8 DG H4' 1 10 DT C7 12.000 4.500 20.000 10.856 9.591 11.860 . 0 0 "[ . 1]" 2
8 1 10 DT Q2' 1 11 DT H6 12.000 4.500 20.000 6.193 5.491 7.025 . 0 0 "[ . 1]" 2
9 1 12 DG H1' 1 14 DT C7 12.000 4.500 20.000 5.936 5.144 6.856 . 0 0 "[ . 1]" 2
10 1 13 DT H6 1 14 DT C7 12.000 4.500 20.000 6.905 4.503 8.759 . 0 0 "[ . 1]" 2
11 1 12 DG Q2' 1 14 DT H1' 12.000 4.500 20.000 6.305 5.648 6.777 . 0 0 "[ . 1]" 2
12 1 17 DG H1' 1 19 DT C7 12.000 4.500 20.000 5.734 4.400 7.244 0.100 10 0 "[ . 1]" 2
13 1 23 DG H1' 1 25 DT C7 12.000 4.500 20.000 10.585 9.139 12.731 . 0 0 "[ . 1]" 2
14 1 26 DG H1' 1 28 DT C7 12.000 4.500 20.000 8.589 8.000 9.120 . 0 0 "[ . 1]" 2
15 1 13 DT C7 1 27 DG H4' 12.000 4.500 20.000 11.145 6.335 16.199 . 0 0 "[ . 1]" 2
16 1 27 DG Q5' 1 28 DT C7 12.000 5.000 20.000 6.942 6.206 7.253 . 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 64
_Distance_constraint_stats_list.Viol_count 215
_Distance_constraint_stats_list.Viol_total 118.310
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0330
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0185
_Distance_constraint_stats_list.Viol_average_violations_only 0.0550
_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 1.260 0.140 2 0 "[ . 1]"
1 3 DG 1.872 0.140 5 0 "[ . 1]"
1 5 DG 1.106 0.092 2 0 "[ . 1]"
1 6 DG 1.717 0.140 5 0 "[ . 1]"
1 8 DG 1.179 0.102 1 0 "[ . 1]"
1 9 DG 2.252 0.167 5 0 "[ . 1]"
1 12 DG 1.333 0.140 2 0 "[ . 1]"
1 15 DG 2.407 0.167 5 0 "[ . 1]"
1 17 DG 1.567 0.177 10 0 "[ . 1]"
1 18 DG 1.344 0.118 2 0 "[ . 1]"
1 20 DG 1.370 0.142 4 0 "[ . 1]"
1 21 DG 1.099 0.093 8 0 "[ . 1]"
1 23 DG 1.355 0.142 4 0 "[ . 1]"
1 24 DG 1.001 0.098 1 0 "[ . 1]"
1 26 DG 1.552 0.177 10 0 "[ . 1]"
1 27 DG 1.246 0.118 2 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 2.000 . 2.200 1.800 1.708 1.945 0.092 2 0 "[ . 1]" 3
2 1 2 DG N2 1 5 DG N7 2.900 2.600 3.200 2.699 2.610 2.828 . 0 0 "[ . 1]" 3
3 1 2 DG H1 1 5 DG O6 2.000 . 2.200 1.783 1.735 1.852 0.065 9 0 "[ . 1]" 3
4 1 2 DG N1 1 5 DG O6 2.900 2.600 3.200 2.755 2.720 2.808 . 0 0 "[ . 1]" 3
5 1 5 DG H21 1 8 DG N7 2.000 . 2.200 1.975 1.879 2.209 0.009 1 0 "[ . 1]" 3
6 1 5 DG N2 1 8 DG N7 2.900 2.600 3.200 2.951 2.856 3.138 . 0 0 "[ . 1]" 3
7 1 5 DG H1 1 8 DG O6 2.000 . 2.200 1.743 1.709 1.785 0.091 5 0 "[ . 1]" 3
8 1 5 DG N1 1 8 DG O6 2.900 2.600 3.200 2.721 2.690 2.753 . 0 0 "[ . 1]" 3
9 1 8 DG H21 1 12 DG N7 2.000 . 2.200 1.925 1.757 2.167 0.043 8 0 "[ . 1]" 3
10 1 8 DG N2 1 12 DG N7 2.900 2.600 3.200 2.835 2.668 3.023 . 0 0 "[ . 1]" 3
11 1 8 DG H1 1 12 DG O6 2.000 . 2.200 1.747 1.698 1.792 0.102 1 0 "[ . 1]" 3
12 1 8 DG N1 1 12 DG O6 2.900 2.600 3.200 2.746 2.689 2.801 . 0 0 "[ . 1]" 3
13 1 2 DG N7 1 12 DG H21 2.000 . 2.200 1.872 1.723 2.107 0.077 10 0 "[ . 1]" 3
14 1 2 DG N7 1 12 DG N2 2.900 2.600 3.200 2.791 2.674 3.032 . 0 0 "[ . 1]" 3
15 1 2 DG O6 1 12 DG H1 2.000 . 2.200 1.748 1.660 1.794 0.140 2 0 "[ . 1]" 3
16 1 2 DG O6 1 12 DG N1 2.900 2.600 3.200 2.721 2.665 2.762 . 0 0 "[ . 1]" 3
17 1 3 DG H21 1 6 DG N7 2.000 . 2.200 1.897 1.756 2.203 0.044 9 0 "[ . 1]" 3
18 1 3 DG N2 1 6 DG N7 2.900 2.600 3.200 2.805 2.701 3.046 . 0 0 "[ . 1]" 3
19 1 3 DG H1 1 6 DG O6 2.000 . 2.200 1.729 1.660 1.779 0.140 5 0 "[ . 1]" 3
20 1 3 DG N1 1 6 DG O6 2.900 2.600 3.200 2.712 2.632 2.777 . 0 0 "[ . 1]" 3
21 1 6 DG H21 1 9 DG N7 2.000 . 2.200 1.846 1.751 1.945 0.049 9 0 "[ . 1]" 3
22 1 6 DG N2 1 9 DG N7 2.900 2.600 3.200 2.777 2.691 2.870 . 0 0 "[ . 1]" 3
23 1 6 DG H1 1 9 DG O6 2.000 . 2.200 1.719 1.678 1.774 0.122 2 0 "[ . 1]" 3
24 1 6 DG N1 1 9 DG O6 2.900 2.600 3.200 2.701 2.656 2.749 . 0 0 "[ . 1]" 3
25 1 9 DG H21 1 15 DG N7 2.000 . 2.200 1.688 1.633 1.743 0.167 5 0 "[ . 1]" 3
26 1 9 DG N2 1 15 DG N7 2.900 2.600 3.200 2.625 2.580 2.682 0.020 1 0 "[ . 1]" 3
27 1 9 DG H1 1 15 DG O6 2.000 . 2.200 1.866 1.735 2.170 0.065 4 0 "[ . 1]" 3
28 1 9 DG N1 1 15 DG O6 2.900 2.600 3.200 2.845 2.726 3.089 . 0 0 "[ . 1]" 3
29 1 3 DG N7 1 15 DG H21 2.000 . 2.200 1.968 1.704 2.243 0.096 5 0 "[ . 1]" 3
30 1 3 DG N7 1 15 DG N2 2.900 2.600 3.200 2.949 2.689 3.210 0.010 1 0 "[ . 1]" 3
31 1 3 DG O6 1 15 DG H1 2.000 . 2.200 1.711 1.672 1.761 0.128 2 0 "[ . 1]" 3
32 1 3 DG O6 1 15 DG N1 2.900 2.600 3.200 2.662 2.634 2.704 . 0 0 "[ . 1]" 3
33 1 17 DG H21 1 20 DG N7 2.000 . 2.200 1.869 1.746 2.132 0.054 8 0 "[ . 1]" 3
34 1 17 DG N2 1 20 DG N7 2.900 2.600 3.200 2.787 2.676 2.924 . 0 0 "[ . 1]" 3
35 1 17 DG H1 1 20 DG O6 2.000 . 2.200 1.745 1.713 1.779 0.087 2 0 "[ . 1]" 3
36 1 17 DG N1 1 20 DG O6 2.900 2.600 3.200 2.735 2.684 2.782 . 0 0 "[ . 1]" 3
37 1 20 DG H21 1 23 DG N7 2.000 . 2.200 1.989 1.824 2.249 0.049 4 0 "[ . 1]" 3
38 1 20 DG N2 1 23 DG N7 2.900 2.600 3.200 2.940 2.809 3.181 . 0 0 "[ . 1]" 3
39 1 20 DG H1 1 23 DG O6 2.000 . 2.200 1.740 1.658 1.789 0.142 4 0 "[ . 1]" 3
40 1 20 DG N1 1 23 DG O6 2.900 2.600 3.200 2.729 2.659 2.797 . 0 0 "[ . 1]" 3
41 1 23 DG H21 1 26 DG N7 2.000 . 2.200 1.906 1.757 2.265 0.065 9 0 "[ . 1]" 3
42 1 23 DG N2 1 26 DG N7 2.900 2.600 3.200 2.806 2.636 3.144 . 0 0 "[ . 1]" 3
43 1 23 DG H1 1 26 DG O6 2.000 . 2.200 1.744 1.708 1.772 0.092 8 0 "[ . 1]" 3
44 1 23 DG N1 1 26 DG O6 2.900 2.600 3.200 2.728 2.658 2.767 . 0 0 "[ . 1]" 3
45 1 17 DG N7 1 26 DG H21 2.000 . 2.200 1.852 1.759 1.913 0.041 3 0 "[ . 1]" 3
46 1 17 DG N7 1 26 DG N2 2.900 2.600 3.200 2.795 2.680 2.860 . 0 0 "[ . 1]" 3
47 1 17 DG O6 1 26 DG H1 2.000 . 2.200 1.721 1.623 1.759 0.177 10 0 "[ . 1]" 3
48 1 17 DG O6 1 26 DG N1 2.900 2.600 3.200 2.709 2.622 2.745 . 0 0 "[ . 1]" 3
49 1 18 DG H21 1 21 DG N7 2.000 . 2.200 1.785 1.731 1.892 0.069 5 0 "[ . 1]" 3
50 1 18 DG N2 1 21 DG N7 2.900 2.600 3.200 2.739 2.658 2.869 . 0 0 "[ . 1]" 3
51 1 18 DG H1 1 21 DG O6 2.000 . 2.200 1.779 1.738 1.813 0.062 8 0 "[ . 1]" 3
52 1 18 DG N1 1 21 DG O6 2.900 2.600 3.200 2.711 2.675 2.748 . 0 0 "[ . 1]" 3
53 1 21 DG H21 1 24 DG N7 2.000 . 2.200 1.859 1.707 2.102 0.093 8 0 "[ . 1]" 3
54 1 21 DG N2 1 24 DG N7 2.900 2.600 3.200 2.793 2.660 2.995 . 0 0 "[ . 1]" 3
55 1 21 DG H1 1 24 DG O6 2.000 . 2.200 1.794 1.713 1.992 0.087 7 0 "[ . 1]" 3
56 1 21 DG N1 1 24 DG O6 2.900 2.600 3.200 2.757 2.664 2.895 . 0 0 "[ . 1]" 3
57 1 24 DG H21 1 27 DG N7 2.000 . 2.200 1.828 1.723 2.093 0.077 10 0 "[ . 1]" 3
58 1 24 DG N2 1 27 DG N7 2.900 2.600 3.200 2.767 2.668 3.007 . 0 0 "[ . 1]" 3
59 1 24 DG H1 1 27 DG O6 2.000 . 2.200 1.804 1.702 2.038 0.098 1 0 "[ . 1]" 3
60 1 24 DG N1 1 27 DG O6 2.900 2.600 3.200 2.732 2.631 2.900 . 0 0 "[ . 1]" 3
61 1 18 DG N7 1 27 DG H21 2.000 . 2.200 1.791 1.682 2.106 0.118 2 0 "[ . 1]" 3
62 1 18 DG N7 1 27 DG N2 2.900 2.600 3.200 2.747 2.667 3.084 . 0 0 "[ . 1]" 3
63 1 18 DG O6 1 27 DG H1 2.000 . 2.200 1.767 1.707 1.812 0.093 1 0 "[ . 1]" 3
64 1 18 DG O6 1 27 DG N1 2.900 2.600 3.200 2.728 2.686 2.772 . 0 0 "[ . 1]" 3
stop_
save_
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