NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443613 |
2kf7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kf7
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 520
_Distance_constraint_stats_list.Viol_count 539
_Distance_constraint_stats_list.Viol_total 503.735
_Distance_constraint_stats_list.Viol_max 1.637
_Distance_constraint_stats_list.Viol_rms 0.0594
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0935
_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 DG 0.754 0.073 6 0 "[ . 1]"
1 2 DG 1.012 0.134 2 0 "[ . 1]"
1 3 DG 6.122 0.728 5 1 "[ + 1]"
1 4 DT 7.984 0.686 5 1 "[ + 1]"
1 5 DT 4.480 0.728 5 1 "[ + 1]"
1 6 DA 2.464 0.511 9 1 "[ . +1]"
1 7 BGM 0.914 0.104 4 0 "[ . 1]"
1 8 DG 0.596 0.111 2 0 "[ . 1]"
1 9 DG 4.263 0.239 2 0 "[ . 1]"
1 10 DT 12.582 1.003 2 6 "[ + *-** *1]"
1 11 DT 13.598 1.003 2 6 "[ + *-** *1]"
1 12 DA 12.018 1.637 5 5 "[* -+ * *]"
1 13 DG 7.912 1.637 5 5 "[* -+ * *]"
1 14 DG 0.456 0.089 3 0 "[ . 1]"
1 15 DG 1.811 0.258 9 0 "[ . 1]"
1 16 DT 0.830 0.188 2 0 "[ . 1]"
1 17 DT 0.538 0.057 5 0 "[ . 1]"
1 18 DA 1.626 0.258 9 0 "[ . 1]"
1 19 DG 0.263 0.058 8 0 "[ . 1]"
1 20 DG 2.308 0.630 3 1 "[ + . 1]"
1 21 DG 2.012 0.630 3 1 "[ + . 1]"
1 22 DT 1.413 0.262 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 1 DG H2' 1 1 DG H8 4.547 3.638 5.456 4.337 4.280 4.421 . 0 0 "[ . 1]" 1
2 1 1 DG H2'' 1 1 DG H8 4.476 3.581 5.371 3.766 3.534 3.980 0.047 9 0 "[ . 1]" 1
3 1 1 DG H1' 1 1 DG H2' 3.002 2.402 3.602 3.020 3.012 3.026 . 0 0 "[ . 1]" 1
4 1 1 DG H1' 1 1 DG H2'' 2.794 2.235 3.353 2.298 2.238 2.375 . 0 0 "[ . 1]" 1
5 1 1 DG H1' 1 1 DG H3' 4.150 2.905 5.395 3.843 3.803 3.879 . 0 0 "[ . 1]" 1
6 1 1 DG H3' 1 1 DG H8 4.800 3.600 7.200 6.023 5.955 6.069 . 0 0 "[ . 1]" 1
7 1 1 DG H1' 1 1 DG H8 2.841 2.273 3.409 2.583 2.573 2.591 . 0 0 "[ . 1]" 1
8 1 1 DG H2' 1 1 DG H2'' 3.000 . 4.200 1.787 1.785 1.789 0.015 7 0 "[ . 1]" 1
9 1 1 DG H2' 1 1 DG H3' 2.515 2.012 3.018 2.338 2.301 2.380 . 0 0 "[ . 1]" 1
10 1 1 DG H2'' 1 1 DG H3' 2.727 2.182 3.272 2.856 2.721 2.930 . 0 0 "[ . 1]" 1
11 1 1 DG H2' 1 2 DG H8 3.058 2.446 3.670 2.716 2.581 2.916 . 0 0 "[ . 1]" 1
12 1 1 DG H2'' 1 2 DG H8 2.926 2.341 3.511 2.413 2.320 2.640 0.021 2 0 "[ . 1]" 1
13 1 1 DG H1' 1 2 DG H8 4.653 3.722 5.584 4.498 4.394 4.641 . 0 0 "[ . 1]" 1
14 1 1 DG H3' 1 2 DG H8 3.000 . 4.200 4.230 4.138 4.273 0.073 6 0 "[ . 1]" 1
15 1 1 DG H8 1 2 DG H3' 4.800 3.600 7.200 6.309 5.695 6.770 . 0 0 "[ . 1]" 1
16 1 1 DG H1' 1 2 DG H3' 4.800 3.600 7.200 5.704 5.319 6.416 . 0 0 "[ . 1]" 1
17 1 1 DG H8 1 2 DG H1' 4.659 3.727 5.591 3.848 3.675 4.096 0.052 9 0 "[ . 1]" 1
18 1 1 DG H8 1 2 DG H8 4.800 3.600 7.200 4.970 4.580 5.311 . 0 0 "[ . 1]" 1
19 1 1 DG H1' 1 2 DG H1' 4.800 3.600 7.200 4.909 4.640 5.244 . 0 0 "[ . 1]" 1
20 1 1 DG H2'' 1 2 DG H2' 3.983 3.186 4.780 3.582 3.296 3.957 . 0 0 "[ . 1]" 1
21 1 1 DG H2'' 1 2 DG H2'' 4.800 3.600 7.200 4.793 4.552 5.046 . 0 0 "[ . 1]" 1
22 1 1 DG H2' 1 2 DG H2' 4.800 3.600 7.200 4.735 4.505 4.934 . 0 0 "[ . 1]" 1
23 1 2 DG H2' 1 2 DG H8 2.811 2.249 3.373 2.389 2.308 2.473 . 0 0 "[ . 1]" 1
24 1 2 DG H2'' 1 2 DG H8 3.000 . 4.200 3.626 3.416 3.803 . 0 0 "[ . 1]" 1
25 1 2 DG H1' 1 2 DG H8 4.048 2.834 5.262 3.912 3.898 3.919 . 0 0 "[ . 1]" 1
26 1 2 DG H1' 1 2 DG H2' 3.000 . 4.200 3.018 2.989 3.024 . 0 0 "[ . 1]" 1
27 1 2 DG H1' 1 2 DG H2'' 3.000 . 4.200 2.137 2.062 2.230 . 0 0 "[ . 1]" 1
28 1 2 DG H3' 1 2 DG H8 4.000 . 7.800 4.301 3.759 4.418 . 0 0 "[ . 1]" 1
29 1 2 DG H1' 1 2 DG H3' 4.453 3.562 5.344 3.820 3.772 3.917 . 0 0 "[ . 1]" 1
30 1 2 DG H2' 1 2 DG H2'' 3.000 . 4.200 1.789 1.785 1.791 0.015 4 0 "[ . 1]" 1
31 1 2 DG H2' 1 2 DG H3' 2.842 2.274 3.410 2.329 2.267 2.357 0.007 4 0 "[ . 1]" 1
32 1 2 DG H2'' 1 2 DG H3' 3.000 . 4.200 3.013 2.952 3.088 . 0 0 "[ . 1]" 1
33 1 2 DG H8 1 3 DG H8 4.000 . 7.800 5.599 5.201 6.062 . 0 0 "[ . 1]" 1
34 1 2 DG H2' 1 3 DG H2' 4.800 3.600 7.200 5.649 5.180 6.008 . 0 0 "[ . 1]" 1
35 1 2 DG H2'' 1 3 DG H2' 4.800 3.600 7.200 4.476 4.305 4.651 . 0 0 "[ . 1]" 1
36 1 2 DG H2' 1 3 DG H8 4.126 3.301 4.951 3.651 3.319 3.991 . 0 0 "[ . 1]" 1
37 1 2 DG H2'' 1 3 DG H8 3.034 2.124 3.944 2.891 2.737 3.083 . 0 0 "[ . 1]" 1
38 1 2 DG H1' 1 3 DG H8 4.849 3.879 5.819 4.901 4.653 5.149 . 0 0 "[ . 1]" 1
39 1 3 DG H1' 1 3 DG H8 4.294 3.435 5.153 3.871 3.857 3.886 . 0 0 "[ . 1]" 1
40 1 3 DG H3' 1 3 DG H8 3.996 2.797 5.195 3.748 3.192 4.101 . 0 0 "[ . 1]" 1
41 1 3 DG H1' 1 3 DG H3' 3.000 . 4.200 3.963 3.909 4.039 . 0 0 "[ . 1]" 1
42 1 3 DG H2' 1 3 DG H2'' 3.000 . 4.200 1.788 1.786 1.791 0.014 6 0 "[ . 1]" 1
43 1 3 DG H2'' 1 3 DG H3' 3.000 . 4.200 2.976 2.774 3.154 . 0 0 "[ . 1]" 1
44 1 3 DG H2' 1 3 DG H3' 3.000 . 4.200 2.317 2.261 2.367 . 0 0 "[ . 1]" 1
45 1 3 DG H2'' 1 3 DG H8 3.000 . 4.200 3.643 3.530 3.737 . 0 0 "[ . 1]" 1
46 1 3 DG H2' 1 3 DG H8 2.569 2.055 3.083 2.151 2.059 2.236 . 0 0 "[ . 1]" 1
47 1 3 DG H1' 1 3 DG H2'' 2.502 2.002 3.002 2.095 1.937 2.304 0.065 2 0 "[ . 1]" 1
48 1 3 DG H1' 1 3 DG H2' 2.927 2.342 3.512 2.972 2.922 2.999 . 0 0 "[ . 1]" 1
49 1 3 DG H2' 1 4 DT H6 4.836 3.869 5.803 5.486 5.335 5.712 . 0 0 "[ . 1]" 1
50 1 3 DG H2'' 1 4 DT H6 3.000 . 4.200 4.167 4.040 4.364 0.164 8 0 "[ . 1]" 1
51 1 3 DG H1' 1 4 DT C7 4.800 3.600 7.700 5.067 4.803 5.456 . 0 0 "[ . 1]" 1
52 1 3 DG H1' 1 4 DT H6 4.000 . 7.800 3.579 3.288 3.800 . 0 0 "[ . 1]" 1
53 1 3 DG H3' 1 4 DT H6 4.800 3.600 7.200 4.986 4.687 5.542 . 0 0 "[ . 1]" 1
54 1 3 DG H8 1 4 DT H6 4.800 3.600 7.200 6.968 6.810 7.087 . 0 0 "[ . 1]" 1
55 1 3 DG H2' 1 4 DT C7 6.000 4.200 8.300 6.649 6.416 7.031 . 0 0 "[ . 1]" 1
56 1 3 DG H2'' 1 4 DT C7 4.000 . 8.300 5.914 5.658 6.188 . 0 0 "[ . 1]" 1
57 1 3 DG H3' 1 4 DT C7 6.000 4.200 8.300 5.482 5.057 6.214 . 0 0 "[ . 1]" 1
58 1 3 DG H8 1 4 DT H5'' 4.800 3.600 7.200 6.725 6.510 6.924 . 0 0 "[ . 1]" 1
59 1 3 DG H2'' 1 4 DT H5'' 3.967 3.600 4.760 3.236 3.127 3.338 0.473 4 0 "[ . 1]" 1
60 1 3 DG H2' 1 4 DT H5'' 4.800 3.600 7.200 4.821 4.679 5.034 . 0 0 "[ . 1]" 1
61 1 3 DG H8 1 4 DT C7 5.567 3.897 7.737 7.743 7.491 7.886 0.149 6 0 "[ . 1]" 1
62 1 3 DG H2'' 1 5 DT H6 4.800 3.600 7.200 5.479 5.389 5.620 . 0 0 "[ . 1]" 1
63 1 3 DG H1' 1 5 DT C7 3.000 . 4.700 4.697 4.600 4.823 0.123 5 0 "[ . 1]" 1
64 1 3 DG H1' 1 5 DT H5' 4.800 3.600 7.200 5.770 5.008 7.928 0.728 5 1 "[ + 1]" 1
65 1 3 DG H2' 1 5 DT C7 4.733 3.786 6.180 4.891 4.723 5.094 . 0 0 "[ . 1]" 1
66 1 3 DG H2'' 1 5 DT C7 4.648 3.718 6.078 4.434 4.358 4.508 . 0 0 "[ . 1]" 1
67 1 3 DG H3' 1 5 DT C7 6.000 4.200 8.300 7.066 6.934 7.215 . 0 0 "[ . 1]" 1
68 1 3 DG H8 1 5 DT C7 4.515 3.612 5.918 5.144 4.847 5.485 . 0 0 "[ . 1]" 1
69 1 3 DG H1' 1 5 DT H6 4.800 3.600 7.200 5.071 4.776 5.216 . 0 0 "[ . 1]" 1
70 1 4 DT C7 1 4 DT H6 2.962 2.370 4.054 2.651 2.646 2.657 . 0 0 "[ . 1]" 1
71 1 4 DT H1' 1 4 DT H2'' 3.000 . 4.200 1.973 1.833 2.449 . 0 0 "[ . 1]" 1
72 1 4 DT H1' 1 4 DT H2' 3.345 2.676 4.014 3.011 2.972 3.031 . 0 0 "[ . 1]" 1
73 1 4 DT C7 1 4 DT H1' 4.800 3.600 7.700 5.831 5.817 5.843 . 0 0 "[ . 1]" 1
74 1 4 DT H1' 1 4 DT H6 3.000 . 4.200 3.742 3.717 3.759 . 0 0 "[ . 1]" 1
75 1 4 DT H2' 1 4 DT H2'' 3.000 . 4.200 1.791 1.788 1.794 0.012 8 0 "[ . 1]" 1
76 1 4 DT C7 1 4 DT H3' 4.800 3.600 7.700 6.482 5.773 6.967 . 0 0 "[ . 1]" 1
77 1 4 DT H5'' 1 4 DT H6 4.012 3.600 4.814 4.621 4.324 4.954 0.140 2 0 "[ . 1]" 1
78 1 4 DT H2'' 1 4 DT H5'' 4.917 3.934 5.900 5.007 4.683 5.115 . 0 0 "[ . 1]" 1
79 1 4 DT H2' 1 4 DT H5'' 4.800 3.600 7.200 4.106 3.593 4.698 0.007 5 0 "[ . 1]" 1
80 1 4 DT C7 1 4 DT H5'' 6.000 4.200 7.700 7.087 6.754 7.442 . 0 0 "[ . 1]" 1
81 1 4 DT H3' 1 4 DT H6 3.986 3.189 4.783 3.905 3.244 4.356 . 0 0 "[ . 1]" 1
82 1 4 DT H2'' 1 4 DT H6 3.908 3.126 4.690 3.464 3.341 3.581 . 0 0 "[ . 1]" 1
83 1 4 DT H2' 1 4 DT H6 2.850 2.280 3.420 2.241 2.178 2.292 0.102 5 0 "[ . 1]" 1
84 1 4 DT H6 1 5 DT C7 4.800 3.600 7.700 7.575 7.373 7.717 0.017 2 0 "[ . 1]" 1
85 1 4 DT H6 1 5 DT H5' 4.800 3.600 7.200 6.082 5.533 7.886 0.686 5 1 "[ + 1]" 1
86 1 4 DT H2'' 1 5 DT H6 4.800 3.600 7.200 5.735 5.473 5.975 . 0 0 "[ . 1]" 1
87 1 4 DT H1' 1 5 DT H5' 4.800 3.600 7.200 4.813 4.153 5.645 . 0 0 "[ . 1]" 1
88 1 4 DT H2'' 1 5 DT H5' 3.644 3.114 4.373 3.267 2.949 4.600 0.227 5 0 "[ . 1]" 1
89 1 4 DT H2' 1 5 DT H5' 4.800 3.600 7.200 3.903 3.320 5.781 0.280 8 0 "[ . 1]" 1
90 1 4 DT H3' 1 5 DT C7 4.880 3.904 6.356 4.697 4.391 5.277 . 0 0 "[ . 1]" 1
91 1 4 DT H3' 1 5 DT H5' . 3.600 4.200 3.788 3.408 4.256 0.192 10 0 "[ . 1]" 1
92 1 4 DT H3' 1 5 DT H6 4.800 3.600 7.200 3.837 3.649 4.150 . 0 0 "[ . 1]" 1
93 1 4 DT H5'' 1 5 DT H6 6.000 4.200 7.800 5.393 4.989 5.568 . 0 0 "[ . 1]" 1
94 1 4 DT H5'' 1 5 DT C7 4.259 3.600 6.037 5.204 5.060 5.282 . 0 0 "[ . 1]" 1
95 1 4 DT H1' 1 5 DT H6 4.800 3.600 7.200 7.107 6.863 7.343 0.143 5 0 "[ . 1]" 1
96 1 4 DT H6 1 6 DA H2 3.000 . 4.200 3.551 3.270 3.877 . 0 0 "[ . 1]" 1
97 1 4 DT H5'' 1 6 DA H2 4.800 3.923 7.200 6.981 6.693 7.244 0.044 8 0 "[ . 1]" 1
98 1 4 DT H3' 1 6 DA H2 4.800 3.600 7.200 5.162 4.947 5.412 . 0 0 "[ . 1]" 1
99 1 4 DT C7 1 6 DA H2 4.285 3.428 5.642 4.410 4.019 4.850 . 0 0 "[ . 1]" 1
100 1 4 DT H2' 1 6 DA H2 3.000 . 4.200 3.010 2.695 3.447 . 0 0 "[ . 1]" 1
101 1 4 DT H2'' 1 6 DA H2 4.000 . 7.800 2.557 2.317 2.908 . 0 0 "[ . 1]" 1
102 1 5 DT H2' 1 5 DT H6 3.052 2.442 3.662 2.544 2.459 2.764 . 0 0 "[ . 1]" 1
103 1 5 DT H2'' 1 5 DT H6 4.073 3.258 4.888 4.037 3.969 4.159 . 0 0 "[ . 1]" 1
104 1 5 DT H1' 1 5 DT H5' 4.800 3.600 7.200 4.723 4.606 4.847 . 0 0 "[ . 1]" 1
105 1 5 DT C7 1 5 DT H1' 6.000 4.200 8.300 5.827 5.803 5.839 . 0 0 "[ . 1]" 1
106 1 5 DT H1' 1 5 DT H2' 3.614 2.891 4.337 3.016 2.994 3.033 . 0 0 "[ . 1]" 1
107 1 5 DT H1' 1 5 DT H2'' 3.018 2.414 3.622 2.472 2.395 2.546 0.019 5 0 "[ . 1]" 1
108 1 5 DT H3' 1 5 DT H6 4.316 3.021 5.611 4.079 3.651 4.520 . 0 0 "[ . 1]" 1
109 1 5 DT H1' 1 5 DT H3' 4.992 3.494 6.490 3.848 3.688 3.926 . 0 0 "[ . 1]" 1
110 1 5 DT H5' 1 5 DT H5'' 3.000 . 4.200 1.775 1.772 1.777 0.028 5 0 "[ . 1]" 1
111 1 5 DT C7 1 5 DT H5' 4.800 3.600 7.700 6.218 5.814 7.373 . 0 0 "[ . 1]" 1
112 1 5 DT H2' 1 5 DT H5' 4.800 3.600 7.200 4.346 4.027 4.779 . 0 0 "[ . 1]" 1
113 1 5 DT H2'' 1 5 DT H5' 4.800 3.600 7.200 5.240 4.878 5.354 . 0 0 "[ . 1]" 1
114 1 5 DT H2' 1 5 DT H2'' 3.000 . 4.200 1.787 1.785 1.790 0.015 1 0 "[ . 1]" 1
115 1 5 DT C7 1 5 DT H3' 4.800 3.600 7.700 6.613 6.153 7.090 . 0 0 "[ . 1]" 1
116 1 5 DT H2' 1 5 DT H3' 3.000 . 4.200 2.330 2.276 2.418 . 0 0 "[ . 1]" 1
117 1 5 DT H2'' 1 5 DT H3' 3.000 . 4.200 2.642 2.517 2.824 . 0 0 "[ . 1]" 1
118 1 5 DT H3' 1 5 DT H5' 3.000 . 4.200 3.517 2.469 3.667 . 0 0 "[ . 1]" 1
119 1 5 DT H1' 1 5 DT H6 4.160 3.328 4.992 3.709 3.673 3.732 . 0 0 "[ . 1]" 1
120 1 5 DT H4' 1 5 DT H6 4.706 3.765 5.647 4.394 4.288 4.455 . 0 0 "[ . 1]" 1
121 1 5 DT H1' 1 5 DT H4' 3.000 . 4.200 3.125 2.762 3.400 . 0 0 "[ . 1]" 1
122 1 5 DT H4' 1 5 DT H5' 2.981 2.385 3.542 2.466 2.405 2.539 . 0 0 "[ . 1]" 1
123 1 5 DT H5' 1 5 DT H6 3.736 3.503 4.483 3.884 3.510 4.815 0.332 5 0 "[ . 1]" 1
124 1 5 DT C7 1 5 DT H6 2.989 2.391 4.087 2.670 2.659 2.680 . 0 0 "[ . 1]" 1
125 1 5 DT H5' 1 6 DA H2 4.800 3.600 7.200 4.789 4.328 7.182 . 0 0 "[ . 1]" 1
126 1 5 DT H3' 1 6 DA H8 4.800 3.600 7.200 5.783 5.099 6.196 . 0 0 "[ . 1]" 1
127 1 5 DT H4' 1 6 DA H8 3.283 2.298 4.268 3.118 2.727 3.393 . 0 0 "[ . 1]" 1
128 1 5 DT H4' 1 6 DA H1' 4.800 3.600 7.200 4.496 3.627 4.934 . 0 0 "[ . 1]" 1
129 1 5 DT H5' 1 6 DA H5'' 4.800 3.600 7.200 5.012 4.099 6.259 . 0 0 "[ . 1]" 1
130 1 5 DT H4' 1 6 DA H2' 4.800 3.600 7.200 4.264 3.695 4.916 . 0 0 "[ . 1]" 1
131 1 5 DT H1' 1 6 DA H8 4.800 3.600 7.200 4.558 3.572 5.814 0.028 8 0 "[ . 1]" 1
132 1 5 DT H2' 1 6 DA H8 4.800 3.600 7.200 6.516 5.832 7.178 . 0 0 "[ . 1]" 1
133 1 5 DT H2'' 1 6 DA H8 4.800 3.600 7.200 6.265 5.286 7.195 . 0 0 "[ . 1]" 1
134 1 5 DT H5' 1 6 DA H8 4.843 3.874 5.812 4.435 3.910 5.214 . 0 0 "[ . 1]" 1
135 1 5 DT H1' 1 18 DA H2 4.182 3.346 5.018 3.908 3.828 3.998 . 0 0 "[ . 1]" 1
136 1 5 DT H6 1 18 DA H2 4.800 3.600 7.200 5.965 5.463 6.333 . 0 0 "[ . 1]" 1
137 1 5 DT C7 1 18 DA H2 4.800 3.600 7.700 7.231 6.703 7.571 . 0 0 "[ . 1]" 1
138 1 5 DT H2'' 1 18 DA H2 4.800 3.600 7.200 6.315 6.134 6.441 . 0 0 "[ . 1]" 1
139 1 5 DT H2' 1 18 DA H2 4.800 3.600 7.200 6.577 6.372 6.822 . 0 0 "[ . 1]" 1
140 1 6 DA H3' 1 6 DA H8 4.000 . 7.800 4.191 3.809 4.298 . 0 0 "[ . 1]" 1
141 1 6 DA H1' 1 6 DA H3' 4.000 . 7.800 3.911 3.886 3.997 . 0 0 "[ . 1]" 1
142 1 6 DA H2' 1 6 DA H2'' 2.370 . 2.844 1.786 1.784 1.788 0.112 6 0 "[ . 1]" 1
143 1 6 DA H2' 1 6 DA H3' 3.000 . 4.200 2.336 2.278 2.369 . 0 0 "[ . 1]" 1
144 1 6 DA H2'' 1 6 DA H3' 3.000 . 4.200 2.755 2.625 2.922 . 0 0 "[ . 1]" 1
145 1 6 DA H5'' 1 6 DA H8 3.670 2.936 4.404 3.620 3.371 4.915 0.511 9 1 "[ . +1]" 1
146 1 6 DA H4' 1 6 DA H8 4.800 3.600 7.200 5.054 4.902 5.206 . 0 0 "[ . 1]" 1
147 1 6 DA H1' 1 6 DA H4' 3.000 . 4.200 3.224 3.012 3.502 . 0 0 "[ . 1]" 1
148 1 6 DA H1' 1 6 DA H5'' 6.000 4.200 7.200 4.570 4.428 5.084 . 0 0 "[ . 1]" 1
149 1 6 DA H1' 1 6 DA H8 4.595 3.676 5.514 3.895 3.831 3.929 . 0 0 "[ . 1]" 1
150 1 6 DA H2' 1 6 DA H5'' 4.000 3.021 4.531 3.250 3.016 3.793 0.005 4 0 "[ . 1]" 1
151 1 6 DA H2'' 1 6 DA H5'' 4.000 3.600 7.200 4.500 4.293 4.852 . 0 0 "[ . 1]" 1
152 1 6 DA H2' 1 6 DA H8 3.000 . 4.200 2.246 2.017 2.572 . 0 0 "[ . 1]" 1
153 1 6 DA H2'' 1 6 DA H8 3.000 . 4.200 3.718 3.410 3.978 . 0 0 "[ . 1]" 1
154 1 6 DA H1' 1 6 DA H2' 3.809 3.047 4.571 3.015 2.984 3.024 0.063 6 0 "[ . 1]" 1
155 1 6 DA H1' 1 6 DA H2'' 2.858 2.286 3.430 2.392 2.264 2.511 0.022 2 0 "[ . 1]" 1
156 1 6 DA H1' 1 7 BGM H3' 4.800 3.600 7.200 5.938 5.003 7.120 . 0 0 "[ . 1]" 1
157 1 6 DA H8 1 18 DA H2 4.800 3.600 7.200 4.290 3.831 4.865 . 0 0 "[ . 1]" 1
158 1 7 BGM H1' 1 7 BGM H2'' 2.913 2.330 3.496 2.416 2.321 2.586 0.009 3 0 "[ . 1]" 1
159 1 7 BGM H1' 1 7 BGM H2' 3.521 2.817 4.225 3.027 3.019 3.032 . 0 0 "[ . 1]" 1
160 1 7 BGM H1' 1 7 BGM H3' 4.800 3.600 7.200 3.804 3.693 3.852 . 0 0 "[ . 1]" 1
161 1 7 BGM H2' 1 7 BGM H2'' 2.289 . 2.747 1.788 1.785 1.790 0.046 9 0 "[ . 1]" 1
162 1 7 BGM H2'' 1 7 BGM H3' 2.764 2.211 3.317 2.744 2.432 2.861 . 0 0 "[ . 1]" 1
163 1 7 BGM H2' 1 7 BGM H3' 2.894 2.315 3.473 2.343 2.300 2.411 0.015 8 0 "[ . 1]" 1
164 1 7 BGM H3' 1 8 DG H8 4.879 3.903 5.855 4.516 4.165 4.776 . 0 0 "[ . 1]" 1
165 1 7 BGM H1' 1 8 DG H3' 4.800 3.600 7.200 5.710 5.199 6.180 . 0 0 "[ . 1]" 1
166 1 7 BGM H1' 1 8 DG H4' 3.000 . 4.200 3.771 3.331 4.132 . 0 0 "[ . 1]" 1
167 1 7 BGM H2' 1 8 DG H2' 4.800 3.600 7.200 5.250 4.486 6.035 . 0 0 "[ . 1]" 1
168 1 7 BGM H2'' 1 8 DG H8 2.851 2.281 3.421 2.488 2.395 2.596 . 0 0 "[ . 1]" 1
169 1 7 BGM H2' 1 8 DG H8 3.500 2.800 4.200 2.970 2.760 3.213 0.040 5 0 "[ . 1]" 1
170 1 7 BGM H1' 1 8 DG H8 4.738 3.790 5.686 4.523 4.341 4.738 . 0 0 "[ . 1]" 1
171 1 8 DG H3' 1 8 DG H8 4.068 2.848 5.288 4.455 4.297 4.666 . 0 0 "[ . 1]" 1
172 1 8 DG H1' 1 8 DG H3' 4.800 3.600 7.200 3.830 3.754 3.957 . 0 0 "[ . 1]" 1
173 1 8 DG H1' 1 8 DG H4' 3.681 2.945 4.417 3.007 2.834 3.229 0.111 2 0 "[ . 1]" 1
174 1 8 DG H4' 1 8 DG H8 4.800 3.600 7.200 4.858 4.454 5.168 . 0 0 "[ . 1]" 1
175 1 8 DG H1' 1 8 DG H8 4.897 3.918 5.876 3.901 3.823 3.935 0.095 4 0 "[ . 1]" 1
176 1 8 DG H1' 1 9 DG H8 3.786 3.029 4.543 3.832 3.544 4.356 . 0 0 "[ . 1]" 1
177 1 8 DG H3' 1 9 DG H8 4.000 . 7.800 4.537 3.888 4.783 . 0 0 "[ . 1]" 1
178 1 8 DG H8 1 9 DG H8 4.000 . 7.800 5.865 5.570 6.097 . 0 0 "[ . 1]" 1
179 1 8 DG H4' 1 9 DG H8 4.800 3.600 7.200 5.700 5.330 6.025 . 0 0 "[ . 1]" 1
180 1 9 DG H1' 1 9 DG H8 3.000 . 4.200 3.902 3.875 3.916 . 0 0 "[ . 1]" 1
181 1 9 DG H3' 1 9 DG H8 3.000 . 4.200 4.171 2.833 4.386 0.186 8 0 "[ . 1]" 1
182 1 9 DG H1' 1 9 DG H3' 3.806 3.045 4.567 3.863 3.791 4.024 . 0 0 "[ . 1]" 1
183 1 9 DG H1' 1 9 DG H4' 3.000 . 4.200 3.220 2.903 3.614 . 0 0 "[ . 1]" 1
184 1 9 DG H4' 1 9 DG H8 4.800 3.600 7.200 4.788 4.369 5.068 . 0 0 "[ . 1]" 1
185 1 9 DG H1' 1 10 DT C7 4.852 3.882 6.322 4.558 4.211 4.994 . 0 0 "[ . 1]" 1
186 1 9 DG H1' 1 10 DT Q2' 3.000 . 4.200 2.232 1.886 2.593 . 0 0 "[ . 1]" 1
187 1 9 DG H1' 1 10 DT H6 3.000 . 4.200 3.283 2.849 3.735 . 0 0 "[ . 1]" 1
188 1 9 DG H3' 1 10 DT C7 4.573 3.201 6.445 5.715 4.753 6.545 0.100 3 0 "[ . 1]" 1
189 1 9 DG H4' 1 10 DT C7 3.000 . 4.700 3.593 2.921 4.012 . 0 0 "[ . 1]" 1
190 1 9 DG H4' 1 10 DT H6 4.800 3.600 7.200 4.043 3.546 4.610 0.054 5 0 "[ . 1]" 1
191 1 9 DG H4' 1 10 DT Q2' 4.800 3.600 7.200 4.486 3.850 5.139 . 0 0 "[ . 1]" 1
192 1 9 DG H8 1 11 DT C7 3.000 . 4.700 4.810 4.747 4.859 0.159 7 0 "[ . 1]" 1
193 1 9 DG H2' 1 11 DT H6 4.800 3.600 7.200 5.557 4.642 6.205 . 0 0 "[ . 1]" 1
194 1 9 DG H1' 1 11 DT C7 4.558 3.646 5.970 4.858 4.509 5.033 . 0 0 "[ . 1]" 1
195 1 9 DG H3' 1 11 DT C7 4.800 3.600 7.700 5.599 5.039 6.274 . 0 0 "[ . 1]" 1
196 1 9 DG H2' 1 11 DT C7 3.000 . 4.700 3.746 3.091 4.265 . 0 0 "[ . 1]" 1
197 1 10 DT C7 1 10 DT H6 2.946 2.357 4.035 2.668 2.658 2.685 . 0 0 "[ . 1]" 1
198 1 10 DT Q2' 1 10 DT H6 3.110 2.488 3.732 2.454 2.225 2.682 0.263 10 0 "[ . 1]" 1
199 1 10 DT H1' 1 10 DT Q2' 3.571 2.500 4.200 2.363 2.186 2.513 0.314 6 0 "[ . 1]" 1
200 1 10 DT C7 1 10 DT H1' 4.800 3.600 7.700 5.711 5.422 5.840 . 0 0 "[ . 1]" 1
201 1 10 DT H1' 1 10 DT H6 3.866 3.093 4.639 3.555 3.176 3.733 . 0 0 "[ . 1]" 1
202 1 10 DT H3' 1 10 DT H6 4.000 . 7.800 4.342 4.031 4.591 . 0 0 "[ . 1]" 1
203 1 10 DT H1' 1 10 DT H3' 4.000 . 7.800 3.806 3.712 3.896 . 0 0 "[ . 1]" 1
204 1 10 DT H2' 1 10 DT H2'' 2.207 . 2.648 1.786 1.783 1.789 . 0 0 "[ . 1]" 1
205 1 10 DT Q2' 1 10 DT H3' 3.000 . 4.200 2.183 2.039 2.274 . 0 0 "[ . 1]" 1
206 1 10 DT H1' 1 10 DT H4' 3.322 2.658 3.986 3.310 2.976 3.488 . 0 0 "[ . 1]" 1
207 1 10 DT H6 1 11 DT C7 4.800 3.600 7.700 6.894 6.680 7.147 . 0 0 "[ . 1]" 1
208 1 10 DT Q2' 1 11 DT H6 4.638 3.710 4.898 3.648 3.378 4.101 0.332 4 0 "[ . 1]" 1
209 1 10 DT H1' 1 11 DT C7 4.800 3.600 7.700 7.019 6.516 7.732 0.032 5 0 "[ . 1]" 1
210 1 10 DT H3' 1 11 DT H6 4.000 . 7.800 3.314 3.020 3.660 . 0 0 "[ . 1]" 1
211 1 10 DT Q2' 1 11 DT C7 4.000 3.268 5.402 4.350 3.996 4.963 . 0 0 "[ . 1]" 1
212 1 10 DT H3' 1 11 DT C7 4.000 . 8.300 3.614 3.246 4.217 . 0 0 "[ . 1]" 1
213 1 10 DT H4' 1 11 DT H6 5.974 4.779 7.169 5.609 5.185 5.851 . 0 0 "[ . 1]" 1
214 1 10 DT H4' 1 11 DT C7 4.629 3.703 6.055 6.031 5.787 6.152 0.097 8 0 "[ . 1]" 1
215 1 10 DT H1' 1 11 DT H6 4.800 3.600 7.200 5.878 5.365 6.611 . 0 0 "[ . 1]" 1
216 1 10 DT H6 1 11 DT Q5' 4.800 3.600 7.200 6.032 5.417 6.332 . 0 0 "[ . 1]" 1
217 1 10 DT H1' 1 11 DT Q5' 4.800 3.600 7.200 3.796 3.042 4.978 0.558 9 1 "[ . +1]" 1
218 1 10 DT H1' 1 11 DT H4' 4.800 3.600 7.200 5.756 4.756 6.870 . 0 0 "[ . 1]" 1
219 1 10 DT Q2' 1 11 DT Q5' . 3.600 4.200 2.965 2.597 3.378 1.003 2 6 "[ + *-** *1]" 1
220 1 10 DT Q2' 1 11 DT H4' 4.800 3.600 7.200 4.478 3.930 4.876 . 0 0 "[ . 1]" 1
221 1 11 DT H2' 1 11 DT H6 2.921 2.337 3.505 2.482 2.359 2.553 . 0 0 "[ . 1]" 1
222 1 11 DT H2'' 1 11 DT H6 3.575 2.860 4.290 4.077 3.991 4.130 . 0 0 "[ . 1]" 1
223 1 11 DT H1' 1 11 DT H2' 3.481 2.785 4.177 3.025 3.008 3.034 . 0 0 "[ . 1]" 1
224 1 11 DT C7 1 11 DT H1' 4.800 3.600 7.700 5.831 5.817 5.845 . 0 0 "[ . 1]" 1
225 1 11 DT H1' 1 11 DT H2'' 2.908 2.326 3.490 2.664 2.581 2.708 . 0 0 "[ . 1]" 1
226 1 11 DT H3' 1 11 DT H6 4.134 3.307 4.961 4.256 3.988 4.437 . 0 0 "[ . 1]" 1
227 1 11 DT H1' 1 11 DT H3' 4.800 3.600 7.200 3.811 3.744 3.894 . 0 0 "[ . 1]" 1
228 1 11 DT H2' 1 11 DT H2'' 3.000 . 4.200 1.787 1.786 1.792 0.014 9 0 "[ . 1]" 1
229 1 11 DT H2' 1 11 DT H3' 2.905 2.324 3.486 2.368 2.307 2.393 0.017 4 0 "[ . 1]" 1
230 1 11 DT H2'' 1 11 DT H3' 3.058 2.141 3.975 2.226 2.073 2.412 0.068 7 0 "[ . 1]" 1
231 1 11 DT C7 1 11 DT H3' 4.800 3.600 7.700 6.821 6.558 6.994 . 0 0 "[ . 1]" 1
232 1 11 DT H1' 1 11 DT H6 4.030 3.224 4.836 3.726 3.706 3.753 . 0 0 "[ . 1]" 1
233 1 11 DT Q5' 1 11 DT H6 3.899 2.729 4.200 3.080 2.375 3.540 0.354 5 0 "[ . 1]" 1
234 1 11 DT H1' 1 11 DT H4' 3.961 3.169 4.753 3.314 3.186 3.475 . 0 0 "[ . 1]" 1
235 1 11 DT H2' 1 11 DT H4' 4.800 3.600 7.200 3.791 3.746 3.878 . 0 0 "[ . 1]" 1
236 1 11 DT H2'' 1 11 DT H4' 3.000 . 4.200 3.842 3.766 3.931 . 0 0 "[ . 1]" 1
237 1 11 DT C7 1 11 DT H6 2.970 2.376 4.064 2.673 2.658 2.684 . 0 0 "[ . 1]" 1
238 1 11 DT H1' 1 12 DA H8 4.637 3.710 5.564 4.062 3.952 4.185 . 0 0 "[ . 1]" 1
239 1 11 DT H3' 1 12 DA H8 4.448 3.558 5.338 4.673 4.321 5.051 . 0 0 "[ . 1]" 1
240 1 11 DT H1' 1 12 DA H2 4.800 3.600 7.200 7.104 6.706 7.427 0.227 7 0 "[ . 1]" 1
241 1 11 DT H6 1 12 DA H8 4.800 3.600 7.200 5.346 4.864 5.952 . 0 0 "[ . 1]" 1
242 1 11 DT H2' 1 12 DA Q5' 4.800 3.600 7.200 5.099 4.941 5.321 . 0 0 "[ . 1]" 1
243 1 11 DT H2'' 1 12 DA Q5' 4.800 3.600 7.200 3.724 3.396 4.077 0.204 6 0 "[ . 1]" 1
244 1 11 DT H2' 1 12 DA H8 3.000 . 4.200 3.473 3.113 3.818 . 0 0 "[ . 1]" 1
245 1 11 DT H2'' 1 12 DA H8 3.000 . 4.200 2.605 2.421 2.852 . 0 0 "[ . 1]" 1
246 1 11 DT C7 1 12 DA H8 4.800 3.600 7.700 6.765 6.013 7.615 . 0 0 "[ . 1]" 1
247 1 11 DT H1' 1 12 DA Q5' 3.795 3.158 4.554 3.228 3.036 3.580 0.122 5 0 "[ . 1]" 1
248 1 12 DA H1' 1 12 DA H8 3.907 3.126 4.688 3.883 3.873 3.895 . 0 0 "[ . 1]" 1
249 1 12 DA H1' 1 12 DA H2'' 3.000 . 4.200 2.296 2.124 2.391 . 0 0 "[ . 1]" 1
250 1 12 DA H1' 1 12 DA H2' 3.000 . 4.200 3.015 2.945 3.028 . 0 0 "[ . 1]" 1
251 1 12 DA H1' 1 12 DA Q5' 4.800 3.600 7.200 4.265 4.102 4.369 . 0 0 "[ . 1]" 1
252 1 12 DA H2'' 1 12 DA Q5' 4.800 3.600 7.200 4.530 4.355 4.673 . 0 0 "[ . 1]" 1
253 1 12 DA H2' 1 12 DA Q5' 4.800 3.600 7.200 3.712 3.279 4.390 0.321 2 0 "[ . 1]" 1
254 1 12 DA H5' 1 12 DA H5'' 3.000 . 4.200 1.774 1.772 1.776 0.028 2 0 "[ . 1]" 1
255 1 12 DA H2' 1 12 DA H2'' 3.000 . 4.200 1.789 1.781 1.791 0.019 4 0 "[ . 1]" 1
256 1 12 DA H3' 1 12 DA H8 3.930 3.144 4.716 4.192 3.363 4.398 . 0 0 "[ . 1]" 1
257 1 12 DA H1' 1 12 DA H4' 3.827 2.679 4.975 3.059 2.699 3.382 . 0 0 "[ . 1]" 1
258 1 12 DA H4' 1 12 DA Q5' 3.006 2.405 3.530 2.229 2.207 2.249 0.198 6 0 "[ . 1]" 1
259 1 12 DA H2'' 1 12 DA H4' 4.413 3.530 5.296 3.916 3.338 4.104 0.192 4 0 "[ . 1]" 1
260 1 12 DA H2'' 1 12 DA H8 3.552 2.842 4.262 3.548 3.399 3.695 . 0 0 "[ . 1]" 1
261 1 12 DA H2' 1 12 DA H8 2.610 2.088 3.132 2.180 2.129 2.299 . 0 0 "[ . 1]" 1
262 1 12 DA Q5' 1 12 DA H8 4.800 3.612 5.418 4.373 3.833 4.837 . 0 0 "[ . 1]" 1
263 1 12 DA Q5' 1 13 DG H8 4.800 3.600 7.200 4.564 4.066 5.994 . 0 0 "[ . 1]" 1
264 1 12 DA Q5' 1 13 DG H1' 4.800 3.600 7.200 4.296 3.343 5.275 0.257 7 0 "[ . 1]" 1
265 1 12 DA H8 1 13 DG Q5' 6.000 4.200 7.800 6.376 6.018 6.612 . 0 0 "[ . 1]" 1
266 1 12 DA Q5' 1 13 DG Q5' 4.800 3.600 7.200 3.193 1.963 5.571 1.637 5 5 "[* -+ * *]" 1
267 1 12 DA H4' 1 13 DG H8 4.800 3.600 7.200 4.077 3.562 4.774 0.038 5 0 "[ . 1]" 1
268 1 12 DA H1' 1 22 DT C7 4.800 3.600 7.700 6.129 4.073 7.824 0.124 7 0 "[ . 1]" 1
269 1 12 DA H2 1 22 DT C7 4.236 3.389 5.583 4.240 4.041 4.592 . 0 0 "[ . 1]" 1
270 1 13 DG H2' 1 13 DG H8 2.747 2.198 3.296 2.168 2.064 2.305 0.134 5 0 "[ . 1]" 1
271 1 13 DG H2'' 1 13 DG H8 3.106 2.174 4.038 3.532 2.965 3.893 . 0 0 "[ . 1]" 1
272 1 13 DG H1' 1 13 DG H2' 3.218 2.574 3.862 2.911 2.682 3.022 . 0 0 "[ . 1]" 1
273 1 13 DG H1' 1 13 DG H2'' 2.850 2.280 3.420 2.473 2.382 2.646 . 0 0 "[ . 1]" 1
274 1 13 DG H1' 1 13 DG H8 4.391 3.513 5.269 3.759 3.640 3.869 . 0 0 "[ . 1]" 1
275 1 13 DG H2' 1 13 DG H2'' 2.282 . 2.738 1.787 1.786 1.791 0.040 5 0 "[ . 1]" 1
276 1 13 DG H2' 1 13 DG H3' 3.000 . 4.200 2.306 2.274 2.336 . 0 0 "[ . 1]" 1
277 1 13 DG Q5' 1 13 DG H8 4.800 3.600 6.149 4.651 3.608 5.369 . 0 0 "[ . 1]" 1
278 1 13 DG H1' 1 13 DG H4' 3.448 2.758 4.138 3.090 2.729 3.763 0.029 5 0 "[ . 1]" 1
279 1 13 DG H3' 1 13 DG H8 3.459 2.421 4.497 3.556 2.327 4.510 0.094 8 0 "[ . 1]" 1
280 1 13 DG H1' 1 13 DG Q5' 4.800 3.600 7.200 4.178 3.935 4.332 . 0 0 "[ . 1]" 1
281 1 13 DG H2'' 1 14 DG H8 3.858 2.701 5.015 4.391 3.327 5.093 0.078 3 0 "[ . 1]" 1
282 1 13 DG H1' 1 14 DG H1' 4.800 3.600 7.200 4.757 3.916 5.460 . 0 0 "[ . 1]" 1
283 1 13 DG H1' 1 14 DG H8 4.691 3.753 5.629 3.866 3.715 4.333 0.038 3 0 "[ . 1]" 1
284 1 13 DG H4' 1 14 DG H8 4.800 3.600 7.200 6.094 5.615 6.917 . 0 0 "[ . 1]" 1
285 1 14 DG H2'' 1 14 DG H8 3.811 3.049 4.573 3.873 3.803 3.988 . 0 0 "[ . 1]" 1
286 1 14 DG H2' 1 14 DG H8 5.351 4.281 6.421 4.521 4.420 4.589 . 0 0 "[ . 1]" 1
287 1 14 DG H1' 1 14 DG H2'' 3.000 . 4.200 2.287 2.238 2.330 . 0 0 "[ . 1]" 1
288 1 14 DG H1' 1 14 DG H2' 3.000 . 4.200 3.030 3.028 3.032 . 0 0 "[ . 1]" 1
289 1 14 DG H3' 1 14 DG H8 4.800 3.600 7.200 6.049 6.019 6.086 . 0 0 "[ . 1]" 1
290 1 14 DG H1' 1 14 DG H3' 4.800 3.600 7.200 3.778 3.749 3.801 . 0 0 "[ . 1]" 1
291 1 14 DG H2' 1 14 DG H2'' 2.201 . 2.641 1.789 1.786 1.790 . 0 0 "[ . 1]" 1
292 1 14 DG H2'' 1 14 DG H3' 3.061 2.449 3.673 2.881 2.840 2.937 . 0 0 "[ . 1]" 1
293 1 14 DG H2' 1 14 DG H3' 2.874 2.299 3.449 2.366 2.342 2.385 . 0 0 "[ . 1]" 1
294 1 14 DG H1' 1 14 DG H8 2.702 2.162 3.242 2.513 2.501 2.534 . 0 0 "[ . 1]" 1
295 1 14 DG H2'' 1 15 DG H8 3.000 . 4.200 2.394 2.215 2.540 . 0 0 "[ . 1]" 1
296 1 14 DG H2' 1 15 DG H8 3.417 2.734 4.100 3.378 3.152 3.695 . 0 0 "[ . 1]" 1
297 1 14 DG H8 1 15 DG H3' 4.800 3.600 7.200 5.887 5.723 6.015 . 0 0 "[ . 1]" 1
298 1 14 DG H3' 1 15 DG H8 4.590 3.672 5.508 4.955 4.754 5.065 . 0 0 "[ . 1]" 1
299 1 14 DG H1' 1 15 DG H3' 4.800 3.600 7.200 5.162 4.972 5.420 . 0 0 "[ . 1]" 1
300 1 14 DG H8 1 15 DG H8 4.800 3.600 7.200 4.442 3.969 4.867 . 0 0 "[ . 1]" 1
301 1 14 DG H2' 1 15 DG H2'' 4.800 3.600 7.200 6.660 6.158 7.067 . 0 0 "[ . 1]" 1
302 1 14 DG H2' 1 15 DG H2' 4.800 3.600 7.200 5.150 4.893 5.486 . 0 0 "[ . 1]" 1
303 1 14 DG H1' 1 15 DG H8 3.815 2.671 4.959 4.104 3.516 4.501 . 0 0 "[ . 1]" 1
304 1 14 DG H2'' 1 15 DG H3' 4.800 3.600 7.200 4.471 4.243 4.973 . 0 0 "[ . 1]" 1
305 1 14 DG H8 1 15 DG H1' 4.000 . 7.800 3.894 3.699 4.121 . 0 0 "[ . 1]" 1
306 1 14 DG H8 1 15 DG H4' 4.395 3.516 5.274 4.095 3.897 4.282 . 0 0 "[ . 1]" 1
307 1 14 DG H1' 1 15 DG H4' 3.000 . 4.200 4.076 3.821 4.262 0.062 1 0 "[ . 1]" 1
308 1 15 DG H2' 1 15 DG H8 2.646 2.117 3.175 2.230 2.122 2.309 . 0 0 "[ . 1]" 1
309 1 15 DG H2'' 1 15 DG H8 3.000 . 4.200 3.571 3.342 3.765 . 0 0 "[ . 1]" 1
310 1 15 DG H1' 1 15 DG H2' 3.000 . 4.200 3.020 3.012 3.027 . 0 0 "[ . 1]" 1
311 1 15 DG H1' 1 15 DG H2'' 3.000 . 4.200 2.253 1.925 2.419 . 0 0 "[ . 1]" 1
312 1 15 DG H3' 1 15 DG H8 4.372 3.498 5.246 4.211 4.099 4.369 . 0 0 "[ . 1]" 1
313 1 15 DG H1' 1 15 DG H3' 4.291 3.433 5.149 3.827 3.778 3.860 . 0 0 "[ . 1]" 1
314 1 15 DG H2' 1 15 DG H2'' 3.000 . 4.200 1.789 1.786 1.792 0.014 10 0 "[ . 1]" 1
315 1 15 DG H2' 1 15 DG H3' 2.701 2.161 3.241 2.331 2.291 2.365 . 0 0 "[ . 1]" 1
316 1 15 DG H2'' 1 15 DG H3' 2.805 2.244 3.366 2.909 2.759 3.169 . 0 0 "[ . 1]" 1
317 1 15 DG H1' 1 15 DG H8 3.000 . 4.200 3.881 3.870 3.887 . 0 0 "[ . 1]" 1
318 1 15 DG H1' 1 15 DG H4' 3.000 . 4.200 2.976 2.814 3.287 . 0 0 "[ . 1]" 1
319 1 15 DG H4' 1 15 DG H8 4.863 3.890 5.836 4.982 4.926 5.045 . 0 0 "[ . 1]" 1
320 1 15 DG H1' 1 16 DT H6 4.800 3.600 7.200 3.680 3.504 4.028 0.096 4 0 "[ . 1]" 1
321 1 15 DG H1' 1 16 DT C7 3.000 . 4.700 3.388 2.901 4.005 . 0 0 "[ . 1]" 1
322 1 15 DG H3' 1 16 DT H6 4.800 3.600 7.200 4.822 4.001 5.616 . 0 0 "[ . 1]" 1
323 1 15 DG H1' 1 16 DT H3' 4.800 3.600 7.200 5.913 5.253 6.616 . 0 0 "[ . 1]" 1
324 1 15 DG H3' 1 16 DT C7 4.800 3.600 7.700 6.092 5.073 6.849 . 0 0 "[ . 1]" 1
325 1 15 DG H3' 1 16 DT H2' 4.800 3.600 7.200 4.924 4.303 5.609 . 0 0 "[ . 1]" 1
326 1 15 DG H3' 1 16 DT H2'' 4.800 3.600 7.200 6.479 5.735 7.107 . 0 0 "[ . 1]" 1
327 1 15 DG H4' 1 16 DT C7 3.741 2.619 5.363 4.872 4.254 5.551 0.188 2 0 "[ . 1]" 1
328 1 15 DG H8 1 18 DA H2'' 4.042 2.829 5.255 2.812 2.571 3.045 0.258 9 0 "[ . 1]" 1
329 1 15 DG H8 1 18 DA H2' 3.000 . 4.200 3.269 2.818 3.983 . 0 0 "[ . 1]" 1
330 1 15 DG H3' 1 18 DA H8 4.800 3.600 7.200 5.199 4.902 5.555 . 0 0 "[ . 1]" 1
331 1 15 DG H8 1 18 DA H3' 4.800 3.600 7.200 4.985 4.606 5.716 . 0 0 "[ . 1]" 1
332 1 15 DG H8 1 18 DA H8 4.601 3.681 5.521 3.883 3.650 4.234 0.031 8 0 "[ . 1]" 1
333 1 15 DG H8 1 18 DA H1' 4.800 3.600 7.200 4.468 3.890 4.707 . 0 0 "[ . 1]" 1
334 1 15 DG H1' 1 18 DA H8 4.800 3.600 7.200 4.800 4.522 5.171 . 0 0 "[ . 1]" 1
335 1 15 DG H2' 1 18 DA H8 3.807 3.046 4.568 3.281 3.042 3.589 0.004 7 0 "[ . 1]" 1
336 1 15 DG H2'' 1 18 DA H8 3.702 2.591 4.813 3.108 2.772 3.388 . 0 0 "[ . 1]" 1
337 1 16 DT H1' 1 16 DT H6 4.006 3.205 4.807 3.730 3.718 3.742 . 0 0 "[ . 1]" 1
338 1 16 DT C7 1 16 DT H1' 4.800 3.600 7.700 5.841 5.832 5.851 . 0 0 "[ . 1]" 1
339 1 16 DT H3' 1 16 DT H6 4.027 3.222 4.832 3.930 3.481 4.179 . 0 0 "[ . 1]" 1
340 1 16 DT H1' 1 16 DT H3' 4.418 3.534 5.302 3.854 3.804 3.898 . 0 0 "[ . 1]" 1
341 1 16 DT H2' 1 16 DT H2'' 3.000 . 4.200 1.788 1.786 1.791 0.014 9 0 "[ . 1]" 1
342 1 16 DT H2' 1 16 DT H3' 3.000 . 4.200 2.332 2.284 2.369 . 0 0 "[ . 1]" 1
343 1 16 DT C7 1 16 DT H3' 4.800 3.600 7.700 6.529 6.073 6.784 . 0 0 "[ . 1]" 1
344 1 16 DT H2'' 1 16 DT H3' 3.000 . 4.200 2.830 2.681 2.990 . 0 0 "[ . 1]" 1
345 1 16 DT H1' 1 16 DT H4' 3.861 2.703 5.019 3.097 2.740 3.445 . 0 0 "[ . 1]" 1
346 1 16 DT H4' 1 16 DT H6 5.312 4.250 6.374 4.558 4.303 4.728 . 0 0 "[ . 1]" 1
347 1 16 DT C7 1 16 DT H6 3.084 2.467 4.201 2.666 2.655 2.685 . 0 0 "[ . 1]" 1
348 1 16 DT H2' 1 16 DT H6 2.873 2.011 3.735 2.219 1.997 2.394 0.014 8 0 "[ . 1]" 1
349 1 16 DT H2'' 1 16 DT H6 3.000 . 4.200 3.695 3.505 3.894 . 0 0 "[ . 1]" 1
350 1 16 DT H1' 1 16 DT H2' 3.490 2.792 4.188 3.015 2.995 3.024 . 0 0 "[ . 1]" 1
351 1 16 DT H1' 1 16 DT H2'' 2.815 2.252 3.378 2.329 2.245 2.405 0.007 4 0 "[ . 1]" 1
352 1 16 DT H2'' 1 17 DT H6 3.000 . 4.200 2.978 2.575 3.607 . 0 0 "[ . 1]" 1
353 1 16 DT H2' 1 17 DT H6 4.800 3.600 7.200 4.525 4.108 5.117 . 0 0 "[ . 1]" 1
354 1 16 DT H1' 1 17 DT C7 3.926 3.141 5.211 4.331 4.079 4.606 . 0 0 "[ . 1]" 1
355 1 16 DT H3' 1 17 DT H6 4.800 3.600 7.200 4.967 3.872 5.619 . 0 0 "[ . 1]" 1
356 1 16 DT H1' 1 17 DT H6 4.800 3.600 7.200 4.262 3.816 4.759 . 0 0 "[ . 1]" 1
357 1 16 DT H2'' 1 17 DT C7 3.681 2.577 5.285 4.224 3.912 4.420 . 0 0 "[ . 1]" 1
358 1 16 DT H2' 1 17 DT C7 4.674 3.739 6.109 5.649 5.345 6.086 . 0 0 "[ . 1]" 1
359 1 16 DT H3' 1 17 DT C7 4.800 3.600 7.700 6.658 5.442 7.320 . 0 0 "[ . 1]" 1
360 1 16 DT H6 1 17 DT C7 4.800 3.600 7.700 6.808 5.795 7.585 . 0 0 "[ . 1]" 1
361 1 16 DT H3' 1 18 DA H8 4.800 3.600 7.200 4.667 3.570 6.161 0.030 2 0 "[ . 1]" 1
362 1 16 DT H2' 1 18 DA H8 4.800 3.600 7.200 4.139 3.638 4.775 . 0 0 "[ . 1]" 1
363 1 16 DT H2'' 1 18 DA H8 4.800 3.600 7.200 4.652 4.293 5.395 . 0 0 "[ . 1]" 1
364 1 16 DT H1' 1 18 DA H8 4.800 3.600 7.200 6.761 6.533 7.253 0.053 9 0 "[ . 1]" 1
365 1 17 DT H1' 1 17 DT H2' 3.347 2.678 4.016 3.021 3.017 3.031 . 0 0 "[ . 1]" 1
366 1 17 DT H1' 1 17 DT H2'' 3.000 . 4.200 2.355 2.136 2.527 . 0 0 "[ . 1]" 1
367 1 17 DT C7 1 17 DT H1' 4.800 3.600 7.700 5.835 5.824 5.845 . 0 0 "[ . 1]" 1
368 1 17 DT H3' 1 17 DT H6 4.296 3.437 5.155 4.060 3.921 4.180 . 0 0 "[ . 1]" 1
369 1 17 DT H1' 1 17 DT H3' 4.800 3.600 7.200 3.835 3.798 3.863 . 0 0 "[ . 1]" 1
370 1 17 DT H1' 1 17 DT H6 4.110 3.288 4.932 3.728 3.716 3.740 . 0 0 "[ . 1]" 1
371 1 17 DT H2' 1 17 DT H2'' 3.000 . 4.200 1.788 1.785 1.790 0.015 7 0 "[ . 1]" 1
372 1 17 DT H2' 1 17 DT H3' 2.951 2.361 3.541 2.337 2.304 2.363 0.057 5 0 "[ . 1]" 1
373 1 17 DT H2'' 1 17 DT H3' 3.148 2.518 3.778 2.792 2.572 3.034 . 0 0 "[ . 1]" 1
374 1 17 DT C7 1 17 DT H3' 4.800 3.600 7.700 6.639 6.491 6.760 . 0 0 "[ . 1]" 1
375 1 17 DT H2' 1 17 DT H6 2.886 2.309 3.463 2.362 2.276 2.455 0.033 3 0 "[ . 1]" 1
376 1 17 DT H2'' 1 17 DT H6 3.797 3.038 4.556 3.804 3.574 3.937 . 0 0 "[ . 1]" 1
377 1 17 DT C7 1 17 DT H6 2.942 2.354 4.030 2.660 2.657 2.670 . 0 0 "[ . 1]" 1
378 1 17 DT H3' 1 18 DA H8 4.323 3.458 5.188 3.675 3.432 3.953 0.026 9 0 "[ . 1]" 1
379 1 17 DT H3' 1 18 DA H1' 4.800 3.600 7.200 6.690 6.230 7.218 0.018 4 0 "[ . 1]" 1
380 1 17 DT H6 1 18 DA H8 4.800 3.600 7.200 5.842 5.308 6.558 . 0 0 "[ . 1]" 1
381 1 17 DT H2'' 1 18 DA H3' 4.800 3.600 7.200 5.688 4.876 6.626 . 0 0 "[ . 1]" 1
382 1 17 DT H2' 1 18 DA H8 4.299 3.439 5.159 3.731 3.392 4.239 0.047 1 0 "[ . 1]" 1
383 1 17 DT H2'' 1 18 DA H8 3.000 . 4.200 3.619 3.148 4.219 0.019 3 0 "[ . 1]" 1
384 1 17 DT H1' 1 18 DA H8 4.800 3.600 7.200 5.871 5.290 6.252 . 0 0 "[ . 1]" 1
385 1 18 DA H1' 1 18 DA H2' 3.000 . 4.200 3.015 2.994 3.029 . 0 0 "[ . 1]" 1
386 1 18 DA H1' 1 18 DA H2'' 3.000 . 4.200 2.352 2.250 2.462 . 0 0 "[ . 1]" 1
387 1 18 DA H3' 1 18 DA H8 4.431 3.545 5.317 4.256 3.966 4.567 . 0 0 "[ . 1]" 1
388 1 18 DA H1' 1 18 DA H3' 4.238 3.390 5.086 3.853 3.777 3.945 . 0 0 "[ . 1]" 1
389 1 18 DA H2' 1 18 DA H2'' 3.000 . 4.200 1.788 1.787 1.790 0.013 1 0 "[ . 1]" 1
390 1 18 DA H2' 1 18 DA H3' 3.000 . 4.200 2.338 2.290 2.382 . 0 0 "[ . 1]" 1
391 1 18 DA H2'' 1 18 DA H3' 3.000 . 4.200 2.796 2.640 2.880 . 0 0 "[ . 1]" 1
392 1 18 DA H4' 1 18 DA H8 4.800 3.600 7.200 5.125 4.851 5.517 . 0 0 "[ . 1]" 1
393 1 18 DA H1' 1 18 DA H4' 3.487 2.790 4.184 3.150 2.766 3.530 0.024 1 0 "[ . 1]" 1
394 1 18 DA H1' 1 18 DA H2 4.800 3.600 7.200 4.552 4.486 4.792 . 0 0 "[ . 1]" 1
395 1 18 DA H1' 1 18 DA H8 4.062 3.250 4.874 3.871 3.707 3.916 . 0 0 "[ . 1]" 1
396 1 18 DA H2' 1 18 DA H8 3.000 . 4.200 2.205 2.123 2.427 . 0 0 "[ . 1]" 1
397 1 18 DA H2'' 1 18 DA H8 3.000 . 4.200 3.530 3.017 3.903 . 0 0 "[ . 1]" 1
398 1 19 DG H2'' 1 19 DG H8 4.391 3.513 5.269 4.113 3.985 4.206 . 0 0 "[ . 1]" 1
399 1 19 DG H2' 1 19 DG H8 4.950 3.960 5.940 4.482 4.372 4.543 . 0 0 "[ . 1]" 1
400 1 19 DG H1' 1 19 DG H2'' 2.667 2.134 3.200 2.457 2.341 2.509 . 0 0 "[ . 1]" 1
401 1 19 DG H1' 1 19 DG H2' 3.358 2.686 4.030 3.029 3.026 3.031 . 0 0 "[ . 1]" 1
402 1 19 DG H3' 1 19 DG H8 4.800 3.600 7.200 6.067 6.021 6.095 . 0 0 "[ . 1]" 1
403 1 19 DG H1' 1 19 DG H3' 3.948 2.764 5.132 3.801 3.754 3.846 . 0 0 "[ . 1]" 1
404 1 19 DG H2' 1 19 DG H2'' 3.000 . 4.200 1.786 1.785 1.788 0.015 6 0 "[ . 1]" 1
405 1 19 DG H1' 1 19 DG H8 2.696 2.157 3.235 2.563 2.544 2.589 . 0 0 "[ . 1]" 1
406 1 19 DG H2'' 1 19 DG H3' 3.000 . 4.200 2.693 2.582 2.906 . 0 0 "[ . 1]" 1
407 1 19 DG H2' 1 19 DG H3' 2.744 2.195 3.293 2.349 2.321 2.398 . 0 0 "[ . 1]" 1
408 1 19 DG H2' 1 20 DG H1' 4.800 3.600 7.200 5.744 5.196 6.379 . 0 0 "[ . 1]" 1
409 1 19 DG H2'' 1 20 DG H1' 4.800 3.600 7.200 4.514 3.869 5.035 . 0 0 "[ . 1]" 1
410 1 19 DG H3' 1 20 DG H8 4.668 3.734 5.602 4.471 4.039 4.836 . 0 0 "[ . 1]" 1
411 1 19 DG H8 1 20 DG H3' 4.800 3.600 7.200 6.836 6.592 7.124 . 0 0 "[ . 1]" 1
412 1 19 DG H1' 1 20 DG H3' 4.800 3.600 7.200 6.111 5.763 6.593 . 0 0 "[ . 1]" 1
413 1 19 DG H8 1 20 DG H8 6.000 4.200 7.800 5.400 5.210 5.580 . 0 0 "[ . 1]" 1
414 1 19 DG H8 1 20 DG H1' 4.147 2.903 5.391 4.378 3.657 4.867 . 0 0 "[ . 1]" 1
415 1 19 DG H1' 1 20 DG H8 4.609 3.687 5.531 4.702 4.546 4.835 . 0 0 "[ . 1]" 1
416 1 19 DG H2'' 1 20 DG H3' 4.800 3.600 7.200 4.880 4.450 5.186 . 0 0 "[ . 1]" 1
417 1 19 DG H2' 1 20 DG H3' 4.800 3.600 7.200 6.557 6.086 6.787 . 0 0 "[ . 1]" 1
418 1 19 DG H8 1 20 DG H2' 4.800 3.600 7.200 6.167 5.990 6.294 . 0 0 "[ . 1]" 1
419 1 19 DG H2' 1 20 DG H2' 4.800 3.600 7.200 5.229 4.325 5.648 . 0 0 "[ . 1]" 1
420 1 19 DG H2'' 1 20 DG H2' 4.000 . 7.800 3.893 3.097 4.359 . 0 0 "[ . 1]" 1
421 1 19 DG H2'' 1 20 DG H8 2.858 2.286 3.430 2.536 2.457 2.646 . 0 0 "[ . 1]" 1
422 1 19 DG H2' 1 20 DG H8 3.426 2.741 4.111 3.156 2.738 3.584 0.003 3 0 "[ . 1]" 1
423 1 20 DG H1' 1 20 DG H8 4.513 3.610 5.416 3.915 3.890 3.932 . 0 0 "[ . 1]" 1
424 1 20 DG H3' 1 20 DG H8 4.622 3.698 5.546 4.505 4.322 4.663 . 0 0 "[ . 1]" 1
425 1 20 DG H1' 1 20 DG H3' 3.000 . 4.200 3.789 3.677 3.871 . 0 0 "[ . 1]" 1
426 1 20 DG H3' 1 21 DG H8 5.350 4.280 6.420 5.364 4.945 5.737 . 0 0 "[ . 1]" 1
427 1 20 DG H1' 1 21 DG H8 3.486 2.789 4.183 3.249 2.716 3.732 0.073 3 0 "[ . 1]" 1
428 1 20 DG H8 1 21 DG H8 6.000 4.200 7.800 5.178 4.687 5.853 . 0 0 "[ . 1]" 1
429 1 20 DG H2' 1 21 DG H8 3.000 . 4.200 4.076 3.203 4.830 0.630 3 1 "[ + . 1]" 1
430 1 20 DG H1' 1 22 DT C7 4.800 3.600 7.700 7.604 6.894 7.847 0.147 6 0 "[ . 1]" 1
431 1 20 DG H2' 1 22 DT C7 6.000 4.200 8.300 7.704 6.899 8.562 0.262 5 0 "[ . 1]" 1
432 1 21 DG H2' 1 21 DG H8 2.816 2.253 3.379 2.451 2.298 2.676 . 0 0 "[ . 1]" 1
433 1 21 DG H2'' 1 21 DG H8 3.000 . 4.200 3.878 3.553 4.136 . 0 0 "[ . 1]" 1
434 1 21 DG H1' 1 21 DG H2' 3.000 . 4.200 3.015 2.999 3.027 . 0 0 "[ . 1]" 1
435 1 21 DG H1' 1 21 DG H2'' 2.553 2.042 3.064 2.315 1.982 2.689 0.060 9 0 "[ . 1]" 1
436 1 21 DG H3' 1 21 DG H8 3.982 3.186 4.778 4.330 4.119 4.525 . 0 0 "[ . 1]" 1
437 1 21 DG H1' 1 21 DG H8 3.937 3.150 4.724 3.893 3.874 3.909 . 0 0 "[ . 1]" 1
438 1 21 DG H1' 1 21 DG H3' 4.123 2.886 5.360 3.848 3.762 3.943 . 0 0 "[ . 1]" 1
439 1 21 DG H2' 1 21 DG H2'' 3.000 . 4.200 1.790 1.787 1.792 0.013 4 0 "[ . 1]" 1
440 1 21 DG H2' 1 21 DG H3' 3.000 . 4.200 2.361 2.321 2.407 . 0 0 "[ . 1]" 1
441 1 21 DG H2'' 1 21 DG H3' 3.000 . 4.200 2.721 2.137 3.113 . 0 0 "[ . 1]" 1
442 1 21 DG H8 1 22 DT C7 4.099 3.279 5.419 4.418 4.137 4.694 . 0 0 "[ . 1]" 1
443 1 21 DG H2' 1 22 DT H6 3.476 2.781 4.171 3.653 3.356 4.016 . 0 0 "[ . 1]" 1
444 1 21 DG H2'' 1 22 DT H6 3.218 2.574 3.862 2.601 2.495 2.763 0.079 2 0 "[ . 1]" 1
445 1 21 DG H1' 1 22 DT C7 4.800 3.600 7.700 5.125 4.254 5.862 . 0 0 "[ . 1]" 1
446 1 21 DG H3' 1 22 DT H6 4.000 . 7.800 5.076 4.586 5.465 . 0 0 "[ . 1]" 1
447 1 21 DG H8 1 22 DT H6 4.800 3.600 7.200 5.176 4.690 5.473 . 0 0 "[ . 1]" 1
448 1 21 DG H2'' 1 22 DT C7 4.147 3.318 5.476 4.048 3.705 4.404 . 0 0 "[ . 1]" 1
449 1 21 DG H2' 1 22 DT C7 4.000 . 8.300 3.965 3.778 4.244 . 0 0 "[ . 1]" 1
450 1 21 DG H1' 1 22 DT H6 4.000 . 7.800 3.915 2.808 4.368 . 0 0 "[ . 1]" 1
451 1 21 DG H3' 1 22 DT C7 4.399 3.079 6.219 6.030 5.604 6.306 0.087 5 0 "[ . 1]" 1
452 1 22 DT C7 1 22 DT H6 3.057 2.446 4.168 2.671 2.659 2.684 . 0 0 "[ . 1]" 1
453 1 22 DT C7 1 22 DT H1' 4.800 3.600 7.700 5.792 5.645 5.854 . 0 0 "[ . 1]" 1
454 1 22 DT H3' 1 22 DT H6 3.667 2.934 4.400 3.723 2.851 4.329 0.083 10 0 "[ . 1]" 1
455 1 22 DT H1' 1 22 DT H3' 4.318 3.454 5.182 3.813 3.759 3.877 . 0 0 "[ . 1]" 1
456 1 22 DT H1' 1 22 DT H6 3.000 . 4.200 3.668 3.487 3.743 . 0 0 "[ . 1]" 1
457 1 22 DT C7 1 22 DT H3' 4.800 3.600 7.700 6.124 4.979 6.872 . 0 0 "[ . 1]" 1
458 1 22 DT C7 1 22 DT H2' 4.800 3.600 7.700 5.016 4.570 5.879 . 0 0 "[ . 1]" 1
459 1 7 BGM H1 1 19 DG H8 4.000 2.500 5.500 5.157 4.920 5.407 . 0 0 "[ . 1]" 1
460 1 1 DG H1 1 14 DG H8 4.000 2.500 5.500 5.166 4.977 5.320 . 0 0 "[ . 1]" 1
461 1 1 DG H8 1 8 DG H1 4.000 2.500 5.500 5.051 4.962 5.232 . 0 0 "[ . 1]" 1
462 1 14 DG H1 1 20 DG H8 4.000 2.500 5.500 5.163 5.046 5.376 . 0 0 "[ . 1]" 1
463 1 2 DG H8 1 15 DG H1 4.000 . 8.500 5.203 5.053 5.349 . 0 0 "[ . 1]" 1
464 1 15 DG H8 1 19 DG H1 4.000 2.500 5.500 5.199 4.912 5.353 . 0 0 "[ . 1]" 1
465 1 8 DG H8 1 20 DG H1 4.000 2.500 5.500 5.203 4.859 5.483 . 0 0 "[ . 1]" 1
466 1 3 DG H1 1 15 DG H1 5.000 4.000 6.500 4.088 3.930 4.280 0.070 1 0 "[ . 1]" 1
467 1 7 BGM H1 1 20 DG H1 2.800 . 4.000 3.382 2.842 3.737 . 0 0 "[ . 1]" 1
468 1 2 DG H1 1 7 BGM H1 5.000 4.000 6.500 4.211 4.178 4.245 . 0 0 "[ . 1]" 1
469 1 8 DG H1 1 9 DG H1 2.800 . 4.000 3.844 3.603 4.050 0.050 2 0 "[ . 1]" 1
470 1 2 DG H1 1 8 DG H1 2.800 . 4.000 3.342 2.968 3.774 . 0 0 "[ . 1]" 1
471 1 14 DG H1 1 19 DG H1 4.000 2.500 5.500 3.573 3.208 3.951 . 0 0 "[ . 1]" 1
472 1 1 DG H1 1 15 DG H1 2.800 . 4.000 3.054 2.880 3.305 . 0 0 "[ . 1]" 1
473 1 20 DG H1 1 21 DG H1 4.000 2.500 5.500 4.235 3.817 4.644 . 0 0 "[ . 1]" 1
474 1 13 DG H8 1 14 DG H1 2.800 . 4.000 3.445 2.974 3.821 . 0 0 "[ . 1]" 1
475 1 21 DG H1 1 22 DT H6 5.000 4.000 6.500 6.338 6.007 6.591 0.091 8 0 "[ . 1]" 1
476 1 9 DG H8 1 21 DG H1 5.000 4.000 6.500 5.497 4.841 6.195 . 0 0 "[ . 1]" 1
477 1 8 DG H8 1 21 DG H1 5.000 4.000 6.500 5.136 4.590 5.582 . 0 0 "[ . 1]" 1
478 1 9 DG H1 1 12 DA H8 5.000 4.000 6.500 6.647 6.540 6.739 0.239 2 0 "[ . 1]" 1
479 1 1 DG H8 1 9 DG H1 5.000 4.000 6.500 5.048 4.654 5.567 . 0 0 "[ . 1]" 1
480 1 3 DG H1 1 5 DT H1' 6.000 4.500 8.500 4.715 4.468 5.112 0.032 10 0 "[ . 1]" 1
481 1 3 DG H1 1 3 DG H1' 6.000 4.500 8.500 5.898 5.879 5.919 . 0 0 "[ . 1]" 1
482 1 3 DG H1 1 5 DT H6 6.000 4.500 8.500 4.799 4.448 5.115 0.052 6 0 "[ . 1]" 1
483 1 6 DA H1' 1 7 BGM H1 5.000 4.000 6.500 6.225 5.717 6.566 0.066 4 0 "[ . 1]" 1
484 1 18 DA H1' 1 19 DG H1 4.000 2.500 5.500 3.465 2.600 3.918 . 0 0 "[ . 1]" 1
485 1 20 DG H1 1 21 DG H1' 5.000 4.000 6.500 6.139 5.187 6.612 0.112 3 0 "[ . 1]" 1
486 1 8 DG H1' 1 21 DG H1 6.000 4.500 8.500 6.105 5.574 6.710 . 0 0 "[ . 1]" 1
487 1 9 DG H1 1 11 DT H1' 4.000 2.500 5.500 2.987 2.675 3.694 . 0 0 "[ . 1]" 1
488 1 9 DG H1 1 12 DA H1' 6.000 4.500 8.500 6.752 6.016 7.887 . 0 0 "[ . 1]" 1
489 1 9 DG H1 1 11 DT H6 6.000 4.500 8.500 4.977 4.378 5.933 0.122 5 0 "[ . 1]" 1
490 1 1 DG H8 1 9 DG H21 4.000 2.500 5.500 3.486 3.219 4.016 . 0 0 "[ . 1]" 1
491 1 1 DG H8 1 9 DG H22 4.000 2.500 5.500 2.872 2.499 3.152 0.001 8 0 "[ . 1]" 1
492 1 9 DG H21 1 11 DT H6 5.000 4.000 6.500 4.984 4.274 6.023 . 0 0 "[ . 1]" 1
493 1 9 DG H22 1 11 DT H6 5.000 4.000 6.500 4.743 4.129 5.664 . 0 0 "[ . 1]" 1
494 1 2 DG H2'' 1 3 DG H1 6.000 4.500 8.500 5.861 5.305 6.557 . 0 0 "[ . 1]" 1
495 1 13 DG H2' 1 14 DG H1 5.000 4.000 6.500 4.401 3.957 4.903 0.043 3 0 "[ . 1]" 1
496 1 6 DA H2' 1 7 BGM H1 5.000 4.000 6.500 4.070 3.896 4.598 0.104 4 0 "[ . 1]" 1
497 1 13 DG H2'' 1 14 DG H1 5.000 4.000 6.500 5.123 3.911 6.322 0.089 3 0 "[ . 1]" 1
498 1 14 DG H1 1 14 DG H2' 5.000 4.000 6.500 5.477 5.387 5.599 . 0 0 "[ . 1]" 1
499 1 6 DA H2'' 1 7 BGM H1 5.000 4.000 6.500 4.985 4.505 5.451 . 0 0 "[ . 1]" 1
500 1 1 DG H2'' 1 15 DG H1 6.000 4.500 8.500 6.404 6.055 6.749 . 0 0 "[ . 1]" 1
501 1 14 DG H2' 1 15 DG H1 6.000 4.500 8.500 8.008 7.728 8.229 . 0 0 "[ . 1]" 1
502 1 14 DG H2'' 1 15 DG H1 6.000 4.500 8.500 7.834 7.618 7.999 . 0 0 "[ . 1]" 1
503 1 1 DG H2' 1 15 DG H1 5.000 4.000 6.500 5.209 4.879 5.683 . 0 0 "[ . 1]" 1
504 1 18 DA H2' 1 19 DG H1 5.000 4.000 6.500 5.760 5.289 6.271 . 0 0 "[ . 1]" 1
505 1 14 DG H2' 1 19 DG H1 5.000 4.000 6.500 6.000 5.295 6.391 . 0 0 "[ . 1]" 1
506 1 18 DA H2'' 1 19 DG H1 5.000 4.000 6.500 4.459 4.098 5.036 . 0 0 "[ . 1]" 1
507 1 8 DG H2' 1 21 DG H1 5.000 4.000 6.500 5.452 5.000 6.406 . 0 0 "[ . 1]" 1
508 1 9 DG H1 1 10 DT Q2' 5.000 4.000 6.500 5.245 4.667 5.824 . 0 0 "[ . 1]" 1
509 1 9 DG H1 1 11 DT H4' 5.000 4.000 6.500 4.582 3.920 6.328 0.080 3 0 "[ . 1]" 1
510 1 3 DG H1 1 18 DA H2 2.800 . 4.000 3.063 2.886 3.272 . 0 0 "[ . 1]" 1
511 1 6 DA H8 1 7 BGM H1 2.800 . 4.000 3.502 3.149 4.015 0.015 5 0 "[ . 1]" 1
512 1 7 BGM H1 1 18 DA H2 4.000 2.500 5.500 4.651 4.332 4.938 . 0 0 "[ . 1]" 1
513 1 15 DG H1 1 18 DA H2 2.800 . 4.000 3.625 3.358 3.839 . 0 0 "[ . 1]" 1
514 1 2 DG H1 1 18 DA H2 2.800 . 4.000 4.015 3.919 4.134 0.134 2 0 "[ . 1]" 1
515 1 18 DA H2 1 19 DG H1 2.800 . 4.000 3.893 3.521 4.058 0.058 8 0 "[ . 1]" 1
516 1 3 DG H21 1 7 BGM H1 5.000 4.000 6.500 5.616 5.234 6.049 . 0 0 "[ . 1]" 1
517 1 3 DG H22 1 7 BGM H1 5.000 4.000 6.500 5.941 5.407 6.469 . 0 0 "[ . 1]" 1
518 1 5 DT H3 1 17 DT C7 4.000 . 8.500 5.447 4.867 5.933 . 0 0 "[ . 1]" 1
519 1 5 DT H3 1 17 DT H6 5.000 4.000 6.500 5.246 4.537 5.974 . 0 0 "[ . 1]" 1
520 1 5 DT H2'' 1 17 DT H3 6.000 4.500 8.500 5.771 4.482 7.002 0.018 7 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 5
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 122.612
_Distance_constraint_stats_list.Viol_max 1.978
_Distance_constraint_stats_list.Viol_rms 0.5294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2452
_Distance_constraint_stats_list.Viol_average_violations_only 0.9432
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 DT 0.091 0.091 6 0 "[ . 1]"
1 9 DG 4.750 1.804 4 4 "[ *-+. * 1]"
1 12 DA 12.170 1.978 4 7 "[**-+.* **1]"
1 13 DG 2.777 1.923 9 2 "[ .- +1]"
1 14 DG 0.000 0.000 . 0 "[ . 1]"
1 18 DA 0.091 0.091 6 0 "[ . 1]"
1 22 DT 4.643 1.978 4 3 "[- +. * 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 5 DT H1' 1 18 DA H1' 10.000 5.000 80.000 5.512 4.909 6.814 0.091 6 0 "[ . 1]" 2
2 1 14 DG H2' 1 18 DA H2' 10.000 5.000 80.000 5.937 5.302 6.693 . 0 0 "[ . 1]" 2
3 1 12 DA H2 1 22 DT H6 10.000 5.000 80.000 4.924 3.022 6.427 1.978 4 3 "[- +. * 1]" 2
4 1 9 DG H1 1 12 DA Q5' 10.000 5.000 80.000 4.744 3.196 6.201 1.804 4 4 "[ *-+. * 1]" 2
5 1 12 DA H2 1 13 DG H8 10.000 5.000 80.000 8.077 3.077 10.512 1.923 9 2 "[ .- +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 42
_Distance_constraint_stats_list.Viol_count 211
_Distance_constraint_stats_list.Viol_total 51.554
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0123
_Distance_constraint_stats_list.Viol_average_violations_only 0.0244
_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 DG 0.991 0.062 3 0 "[ . 1]"
1 2 DG 1.199 0.078 1 0 "[ . 1]"
1 3 DG 0.530 0.067 6 0 "[ . 1]"
1 7 BGM 1.131 0.059 1 0 "[ . 1]"
1 8 DG 1.003 0.062 3 0 "[ . 1]"
1 9 DG 0.524 0.061 4 0 "[ . 1]"
1 13 DG 0.178 0.061 4 0 "[ . 1]"
1 14 DG 0.968 0.063 6 0 "[ . 1]"
1 15 DG 1.000 0.078 1 0 "[ . 1]"
1 18 DA 0.530 0.067 6 0 "[ . 1]"
1 19 DG 0.931 0.059 1 0 "[ . 1]"
1 20 DG 0.981 0.063 6 0 "[ . 1]"
1 21 DG 0.346 0.043 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 1 DG H21 1 14 DG N7 1.990 . 2.090 1.876 1.841 1.909 0.049 7 0 "[ . 1]" 3
2 1 1 DG N2 1 14 DG N7 2.900 2.800 3.000 2.854 2.811 2.885 . 0 0 "[ . 1]" 3
3 1 1 DG H1 1 14 DG O6 1.950 . 2.050 1.851 1.816 1.919 0.034 5 0 "[ . 1]" 3
4 1 1 DG N1 1 14 DG O6 2.950 2.850 3.050 2.833 2.807 2.909 0.043 6 0 "[ . 1]" 3
5 1 14 DG H21 1 20 DG N7 1.990 . 2.090 1.943 1.850 2.028 0.040 8 0 "[ . 1]" 3
6 1 14 DG N2 1 20 DG N7 2.900 2.800 3.000 2.923 2.819 3.007 0.007 7 0 "[ . 1]" 3
7 1 14 DG H1 1 20 DG O6 1.950 . 2.050 1.856 1.825 1.924 0.025 9 0 "[ . 1]" 3
8 1 14 DG N1 1 20 DG O6 2.950 2.850 3.050 2.825 2.787 2.911 0.063 6 0 "[ . 1]" 3
9 1 8 DG N7 1 20 DG H21 1.990 . 2.090 1.889 1.850 1.947 0.040 1 0 "[ . 1]" 3
10 1 8 DG N7 1 20 DG N2 2.900 2.800 3.000 2.818 2.772 2.909 0.028 4 0 "[ . 1]" 3
11 1 8 DG O6 1 20 DG H1 1.950 . 2.050 1.842 1.809 1.884 0.041 3 0 "[ . 1]" 3
12 1 8 DG O6 1 20 DG N1 2.950 2.850 3.050 2.829 2.804 2.851 0.046 3 0 "[ . 1]" 3
13 1 1 DG N7 1 8 DG H21 1.990 . 2.090 1.858 1.828 1.884 0.062 3 0 "[ . 1]" 3
14 1 1 DG N7 1 8 DG N2 2.900 2.800 3.000 2.837 2.788 2.878 0.012 3 0 "[ . 1]" 3
15 1 1 DG O6 1 8 DG H1 1.950 . 2.050 1.878 1.834 1.980 0.016 10 0 "[ . 1]" 3
16 1 1 DG O6 1 8 DG N1 2.950 2.850 3.050 2.849 2.813 2.950 0.037 2 0 "[ . 1]" 3
17 1 2 DG H21 1 7 BGM N7 1.990 . 2.090 1.933 1.863 2.027 0.027 4 0 "[ . 1]" 3
18 1 2 DG N2 1 7 BGM N7 2.900 2.800 3.000 2.863 2.797 2.966 0.003 8 0 "[ . 1]" 3
19 1 2 DG H1 1 7 BGM O6 1.950 . 2.050 1.829 1.814 1.839 0.036 2 0 "[ . 1]" 3
20 1 2 DG N1 1 7 BGM O6 2.950 2.850 3.050 2.821 2.798 2.837 0.052 6 0 "[ . 1]" 3
21 1 7 BGM H21 1 19 DG N7 1.990 . 2.090 1.874 1.831 1.923 0.059 1 0 "[ . 1]" 3
22 1 7 BGM N2 1 19 DG N7 2.900 2.800 3.000 2.840 2.805 2.897 . 0 0 "[ . 1]" 3
23 1 7 BGM H1 1 19 DG O6 1.950 . 2.050 1.876 1.819 2.053 0.031 6 0 "[ . 1]" 3
24 1 7 BGM N1 1 19 DG O6 2.950 2.850 3.050 2.854 2.811 2.989 0.039 6 0 "[ . 1]" 3
25 1 15 DG N7 1 19 DG H21 1.990 . 2.090 1.889 1.832 1.953 0.058 8 0 "[ . 1]" 3
26 1 15 DG N7 1 19 DG N2 2.900 2.800 3.000 2.853 2.790 2.914 0.010 5 0 "[ . 1]" 3
27 1 15 DG O6 1 19 DG H1 1.950 . 2.050 1.869 1.822 2.010 0.028 4 0 "[ . 1]" 3
28 1 15 DG O6 1 19 DG N1 2.950 2.850 3.050 2.861 2.824 2.995 0.026 4 0 "[ . 1]" 3
29 1 2 DG N7 1 15 DG H21 1.990 . 2.090 2.026 1.899 2.114 0.024 2 0 "[ . 1]" 3
30 1 2 DG N7 1 15 DG N2 2.900 2.800 3.000 2.963 2.865 3.054 0.054 1 0 "[ . 1]" 3
31 1 2 DG O6 1 15 DG H1 1.950 . 2.050 1.877 1.835 1.945 0.015 8 0 "[ . 1]" 3
32 1 2 DG O6 1 15 DG N1 2.950 2.850 3.050 2.808 2.772 2.838 0.078 1 0 "[ . 1]" 3
33 1 9 DG N7 1 21 DG H21 1.990 . 2.190 2.046 1.882 2.206 0.016 5 0 "[ . 1]" 3
34 1 9 DG N7 1 21 DG N2 2.900 2.700 3.100 2.950 2.804 3.071 . 0 0 "[ . 1]" 3
35 1 9 DG O6 1 21 DG H1 1.950 . 2.150 1.757 1.717 1.826 0.033 4 0 "[ . 1]" 3
36 1 9 DG O6 1 21 DG N1 2.950 2.750 3.150 2.732 2.707 2.779 0.043 2 0 "[ . 1]" 3
37 1 9 DG H1 1 13 DG O6 1.950 . 2.150 1.876 1.748 2.101 0.002 5 0 "[ . 1]" 3
38 1 9 DG N1 1 13 DG O6 2.950 2.750 3.150 2.801 2.689 3.001 0.061 4 0 "[ . 1]" 3
39 1 3 DG H1 1 18 DA N1 1.990 . 2.190 1.914 1.842 2.001 . 0 0 "[ . 1]" 3
40 1 3 DG N1 1 18 DA N1 2.900 2.700 3.100 2.914 2.837 3.006 . 0 0 "[ . 1]" 3
41 1 3 DG O6 1 18 DA H61 1.950 . 2.150 1.758 1.716 1.857 0.034 1 0 "[ . 1]" 3
42 1 3 DG O6 1 18 DA N6 2.950 2.750 3.150 2.711 2.683 2.733 0.067 6 0 "[ . 1]" 3
stop_
save_
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