NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370624 |
1byx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1byx
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 347
_Distance_constraint_stats_list.Viol_count 856
_Distance_constraint_stats_list.Viol_total 1063.020
_Distance_constraint_stats_list.Viol_max 0.505
_Distance_constraint_stats_list.Viol_rms 0.0233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0621
_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 G 2.564 0.505 18 1 "[ . 1 . + 2]"
1 2 C 5.305 0.092 18 0 "[ . 1 . 2]"
1 3 A 6.438 0.092 18 0 "[ . 1 . 2]"
1 4 G 5.968 0.092 17 0 "[ . 1 . 2]"
1 5 U 5.010 0.089 11 0 "[ . 1 . 2]"
1 6 G 8.489 0.093 13 0 "[ . 1 . 2]"
1 7 G 8.937 0.100 13 0 "[ . 1 . 2]"
1 8 C 4.283 0.095 11 0 "[ . 1 . 2]"
2 1 DG 2.002 0.161 4 0 "[ . 1 . 2]"
2 2 DC 7.643 0.200 14 0 "[ . 1 . 2]"
2 3 DC 6.441 0.200 14 0 "[ . 1 . 2]"
2 4 DA 6.965 0.091 4 0 "[ . 1 . 2]"
2 5 DC 4.995 0.084 16 0 "[ . 1 . 2]"
2 6 DT 3.002 0.080 17 0 "[ . 1 . 2]"
2 7 DG 6.318 0.097 4 0 "[ . 1 . 2]"
2 8 DC 4.219 0.097 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H3' 1 2 C H5 . . 3.800 3.529 2.743 3.879 0.079 7 0 "[ . 1 . 2]" 1
2 1 1 G H2' 1 2 C H1' . . 4.290 3.959 3.634 4.296 0.006 8 0 "[ . 1 . 2]" 1
3 1 1 G H2' 1 2 C H6 . . 2.740 2.327 2.171 2.640 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H1' 1 2 C H6 . . 4.790 4.851 4.784 4.873 0.083 7 0 "[ . 1 . 2]" 1
5 1 1 G H8 1 2 C H5 . . 4.730 3.677 2.354 4.791 0.061 4 0 "[ . 1 . 2]" 1
6 1 2 C H1' 1 2 C H5' . . 4.850 4.834 4.725 4.902 0.052 9 0 "[ . 1 . 2]" 1
7 1 2 C H5'' 1 2 C H6 . . 4.350 3.879 3.419 4.112 . 0 0 "[ . 1 . 2]" 1
8 1 2 C H1' 1 2 C H4' . . 3.700 3.385 3.251 3.478 . 0 0 "[ . 1 . 2]" 1
9 1 2 C H1' 1 2 C H3' . . 4.040 3.832 3.775 3.883 . 0 0 "[ . 1 . 2]" 1
10 1 2 C H3' 1 2 C H5 . . 4.910 4.306 4.107 4.678 . 0 0 "[ . 1 . 2]" 1
11 1 2 C H1' 1 2 C H2' . . 2.990 2.661 2.617 2.700 . 0 0 "[ . 1 . 2]" 1
12 1 2 C H2' 1 2 C H6 . . 4.170 3.607 3.469 3.808 . 0 0 "[ . 1 . 2]" 1
13 1 2 C H2' 1 3 A H1' . . 4.170 3.760 3.607 3.933 . 0 0 "[ . 1 . 2]" 1
14 1 2 C H2' 1 3 A H8 . . 2.870 2.311 2.112 2.534 . 0 0 "[ . 1 . 2]" 1
15 1 2 C H1' 1 2 C H6 . . 4.230 3.683 3.641 3.742 . 0 0 "[ . 1 . 2]" 1
16 1 2 C H1' 1 3 A H4' . . 4.880 4.958 4.943 4.972 0.092 18 0 "[ . 1 . 2]" 1
17 1 2 C H1' 1 3 A H8 . . 4.790 4.756 4.499 4.858 0.068 20 0 "[ . 1 . 2]" 1
18 1 2 C H5 1 2 C H6 . . 2.990 2.392 2.361 2.416 . 0 0 "[ . 1 . 2]" 1
19 1 2 C H5 1 3 A H8 . . 5.500 5.231 4.773 5.574 0.074 7 0 "[ . 1 . 2]" 1
20 1 2 C H6 1 3 A H8 . . 4.690 4.684 4.448 4.773 0.083 14 0 "[ . 1 . 2]" 1
21 1 3 A H5'' 1 3 A H8 . . 4.010 4.001 3.839 4.088 0.078 18 0 "[ . 1 . 2]" 1
22 1 3 A H1' 1 3 A H4' . . 3.920 3.415 3.265 3.534 . 0 0 "[ . 1 . 2]" 1
23 1 3 A H4' 1 3 A H8 . . 4.790 4.295 4.222 4.358 . 0 0 "[ . 1 . 2]" 1
24 1 3 A H1' 1 3 A H3' . . 4.140 3.841 3.788 3.912 . 0 0 "[ . 1 . 2]" 1
25 1 3 A H3' 1 3 A H8 . . 3.240 3.136 2.909 3.317 0.077 12 0 "[ . 1 . 2]" 1
26 1 3 A H3' 1 4 G H8 . . 3.950 3.376 3.175 3.570 . 0 0 "[ . 1 . 2]" 1
27 1 3 A H1' 1 3 A H2' . . 3.240 2.706 2.668 2.754 . 0 0 "[ . 1 . 2]" 1
28 1 3 A H2 1 3 A H2' . . 5.500 4.616 4.442 4.892 . 0 0 "[ . 1 . 2]" 1
29 1 3 A H2' 1 3 A H8 . . 4.880 4.132 3.999 4.244 . 0 0 "[ . 1 . 2]" 1
30 1 3 A H2' 1 4 G H1' . . 4.820 3.853 3.620 4.110 . 0 0 "[ . 1 . 2]" 1
31 1 3 A H2' 1 4 G H8 . . 3.300 2.396 2.215 2.594 . 0 0 "[ . 1 . 2]" 1
32 1 3 A H1' 1 3 A H2 . . 5.500 4.684 4.585 4.759 . 0 0 "[ . 1 . 2]" 1
33 1 3 A H1' 1 3 A H8 . . 4.410 3.732 3.676 3.803 . 0 0 "[ . 1 . 2]" 1
34 1 3 A H1' 1 4 G H1' . . 5.500 5.145 4.723 5.536 0.036 17 0 "[ . 1 . 2]" 1
35 1 3 A H1' 1 4 G H8 . . 5.100 5.040 4.845 5.168 0.068 2 0 "[ . 1 . 2]" 1
36 1 3 A H2 1 4 G H2' . . 5.500 5.214 4.900 5.563 0.063 13 0 "[ . 1 . 2]" 1
37 1 3 A H2 1 4 G H1' . . 3.420 2.832 2.490 3.341 . 0 0 "[ . 1 . 2]" 1
38 1 3 A H2 2 7 DG H1' . . 4.320 4.330 4.029 4.406 0.086 20 0 "[ . 1 . 2]" 1
39 1 3 A H2 2 7 DG H8 . . 5.500 5.447 5.076 5.580 0.080 6 0 "[ . 1 . 2]" 1
40 1 3 A H8 1 4 G H8 . . 5.500 5.491 5.346 5.576 0.076 20 0 "[ . 1 . 2]" 1
41 1 4 G H5' 1 4 G H8 . . 4.630 3.981 3.884 4.031 . 0 0 "[ . 1 . 2]" 1
42 1 4 G H5'' 1 4 G H8 . . 3.610 3.696 3.691 3.702 0.092 17 0 "[ . 1 . 2]" 1
43 1 4 G H4' 1 4 G H8 . . 5.250 4.264 4.189 4.361 . 0 0 "[ . 1 . 2]" 1
44 1 4 G H2' 1 5 U H1' . . 4.690 4.270 3.899 4.607 . 0 0 "[ . 1 . 2]" 1
45 1 4 G H2' 1 5 U H5 . . 3.640 3.562 3.177 3.704 0.064 7 0 "[ . 1 . 2]" 1
46 1 4 G H1' 1 4 G H8 . . 4.230 3.731 3.687 3.779 . 0 0 "[ . 1 . 2]" 1
47 1 4 G H1' 1 5 U H6 . . 4.730 4.804 4.778 4.813 0.083 7 0 "[ . 1 . 2]" 1
48 1 4 G H8 1 5 U H5 . . 5.030 4.334 3.880 4.860 . 0 0 "[ . 1 . 2]" 1
49 1 4 G H8 1 5 U H6 . . 5.500 5.253 4.907 5.538 0.038 9 0 "[ . 1 . 2]" 1
50 1 5 U H5'' 1 5 U H6 . . 4.290 4.059 3.911 4.227 . 0 0 "[ . 1 . 2]" 1
51 1 5 U H1' 1 5 U H4' . . 3.830 3.288 3.208 3.393 . 0 0 "[ . 1 . 2]" 1
52 1 5 U H4' 1 5 U H6 . . 4.510 4.110 4.014 4.224 . 0 0 "[ . 1 . 2]" 1
53 1 5 U H3' 1 5 U H6 . . 2.900 2.624 2.417 2.879 . 0 0 "[ . 1 . 2]" 1
54 1 5 U H1' 1 5 U H5 . . 5.500 5.333 5.220 5.391 . 0 0 "[ . 1 . 2]" 1
55 1 5 U H1' 1 5 U H6 . . 4.010 3.665 3.615 3.701 . 0 0 "[ . 1 . 2]" 1
56 1 5 U H1' 1 6 G H8 . . 4.480 4.540 4.456 4.569 0.089 11 0 "[ . 1 . 2]" 1
57 1 5 U H1' 2 4 DA H2 . . 5.500 5.327 4.990 5.566 0.066 20 0 "[ . 1 . 2]" 1
58 1 5 U H5 1 5 U H6 . . 2.900 2.403 2.370 2.427 . 0 0 "[ . 1 . 2]" 1
59 1 5 U H5 1 6 G H8 . . 4.540 4.619 4.610 4.627 0.087 7 0 "[ . 1 . 2]" 1
60 1 6 G H1' 1 6 G H4' . . 3.640 3.140 3.005 3.280 . 0 0 "[ . 1 . 2]" 1
61 1 6 G H4' 1 6 G H8 . . 4.790 4.504 4.333 4.638 . 0 0 "[ . 1 . 2]" 1
62 1 6 G H1' 1 6 G H2' . . 3.050 2.721 2.680 2.767 . 0 0 "[ . 1 . 2]" 1
63 1 6 G H2' 1 7 G H1' . . 5.500 4.086 3.846 4.394 . 0 0 "[ . 1 . 2]" 1
64 1 6 G H1' 1 6 G H8 . . 4.140 3.812 3.691 3.872 . 0 0 "[ . 1 . 2]" 1
65 1 6 G H1' 1 7 G H8 . . 4.540 4.618 4.589 4.628 0.088 18 0 "[ . 1 . 2]" 1
66 1 6 G H1' 2 4 DA H2 . . 3.760 3.433 2.928 3.825 0.065 17 0 "[ . 1 . 2]" 1
67 1 6 G H8 1 7 G H8 . . 4.730 4.797 4.698 4.823 0.093 13 0 "[ . 1 . 2]" 1
68 1 6 G H8 2 4 DA H2 . . 4.940 5.007 4.905 5.031 0.091 4 0 "[ . 1 . 2]" 1
69 1 7 G H5'' 1 7 G H8 . . 3.610 3.695 3.684 3.710 0.100 13 0 "[ . 1 . 2]" 1
70 1 7 G H1' 1 7 G H3' . . 3.730 3.787 3.742 3.815 0.085 11 0 "[ . 1 . 2]" 1
71 1 7 G H3' 1 7 G H8 . . 3.360 2.764 2.425 2.956 . 0 0 "[ . 1 . 2]" 1
72 1 7 G H3' 1 8 C H5 . . 4.320 3.510 2.208 4.409 0.089 20 0 "[ . 1 . 2]" 1
73 1 7 G H1' 1 7 G H2' . . 2.960 2.731 2.691 2.789 . 0 0 "[ . 1 . 2]" 1
74 1 7 G H1' 1 7 G H8 . . 4.110 3.788 3.718 3.867 . 0 0 "[ . 1 . 2]" 1
75 1 7 G H1' 1 8 C H5 . . 5.500 4.536 2.265 5.569 0.069 13 0 "[ . 1 . 2]" 1
76 1 7 G H8 1 8 C H5 . . 4.970 4.181 2.233 5.065 0.095 11 0 "[ . 1 . 2]" 1
77 1 8 C H1' 1 8 C H5' . . 5.410 4.552 4.331 4.795 . 0 0 "[ . 1 . 2]" 1
78 1 8 C H5' 1 8 C H6 . . 5.350 3.111 2.156 4.325 . 0 0 "[ . 1 . 2]" 1
79 1 8 C H1' 1 8 C H4' . . 3.700 3.335 3.068 3.535 . 0 0 "[ . 1 . 2]" 1
80 1 8 C H4' 1 8 C H6 . . 4.290 4.087 3.895 4.362 0.072 14 0 "[ . 1 . 2]" 1
81 1 8 C H1' 1 8 C H3' . . 3.800 3.835 3.775 3.866 0.066 17 0 "[ . 1 . 2]" 1
82 1 8 C H3' 1 8 C H5 . . 4.630 4.481 4.186 4.705 0.075 13 0 "[ . 1 . 2]" 1
83 1 8 C H3' 1 8 C H6 . . 2.830 2.397 2.118 2.810 . 0 0 "[ . 1 . 2]" 1
84 1 8 C H1' 1 8 C H2' . . 2.830 2.751 2.708 2.824 . 0 0 "[ . 1 . 2]" 1
85 1 8 C H2' 1 8 C H5 . . 5.220 5.050 4.542 5.294 0.074 12 0 "[ . 1 . 2]" 1
86 1 8 C H2' 1 8 C H6 . . 3.670 3.431 2.878 3.746 0.076 7 0 "[ . 1 . 2]" 1
87 1 8 C H1' 1 8 C H5 . . 5.500 5.381 5.240 5.460 . 0 0 "[ . 1 . 2]" 1
88 1 8 C H5 1 8 C H6 . . 2.800 2.395 2.343 2.451 . 0 0 "[ . 1 . 2]" 1
89 2 1 DG Q5' 2 2 DC H5 . . 5.470 4.784 2.775 5.631 0.161 4 0 "[ . 1 . 2]" 1
90 2 1 DG H3' 2 2 DC H5 . . 3.860 3.606 2.593 3.937 0.077 18 0 "[ . 1 . 2]" 1
91 2 1 DG H2' 2 2 DC H5 . . 4.070 3.732 3.000 4.144 0.074 14 0 "[ . 1 . 2]" 1
92 2 2 DC Q5' 2 2 DC H6 . . 4.380 3.455 3.082 3.620 . 0 0 "[ . 1 . 2]" 1
93 2 2 DC H1' 2 2 DC H3' . . 3.730 3.807 3.785 3.820 0.090 6 0 "[ . 1 . 2]" 1
94 2 2 DC H3' 2 2 DC H5 . . 5.030 4.531 4.205 4.862 . 0 0 "[ . 1 . 2]" 1
95 2 2 DC H3' 2 2 DC H6 . . 2.870 2.408 2.040 2.727 . 0 0 "[ . 1 . 2]" 1
96 2 2 DC H1' 2 2 DC H2' . . 3.050 2.716 2.673 2.769 . 0 0 "[ . 1 . 2]" 1
97 2 2 DC H1' 2 2 DC H5 . . 5.500 5.390 5.284 5.446 . 0 0 "[ . 1 . 2]" 1
98 2 2 DC H1' 2 2 DC H6 . . 4.260 3.727 3.657 3.789 . 0 0 "[ . 1 . 2]" 1
99 2 2 DC H1' 2 3 DC H6 . . 4.850 4.726 4.380 4.909 0.059 16 0 "[ . 1 . 2]" 1
100 2 2 DC H5 2 3 DC H5 . . 4.350 3.946 3.447 4.404 0.054 10 0 "[ . 1 . 2]" 1
101 2 2 DC H6 2 3 DC H5 . . 4.540 3.758 3.193 4.313 . 0 0 "[ . 1 . 2]" 1
102 2 3 DC H4' 2 4 DA H8 . . 5.500 5.471 5.316 5.568 0.068 20 0 "[ . 1 . 2]" 1
103 2 3 DC H2' 2 4 DA H8 . . 2.620 2.053 1.937 2.153 . 0 0 "[ . 1 . 2]" 1
104 2 3 DC H1' 2 3 DC H6 . . 4.070 3.705 3.641 3.756 . 0 0 "[ . 1 . 2]" 1
105 2 3 DC H1' 2 4 DA H1' . . 5.500 5.401 4.990 5.579 0.079 2 0 "[ . 1 . 2]" 1
106 2 3 DC H1' 2 4 DA H8 . . 4.690 4.634 4.478 4.749 0.059 6 0 "[ . 1 . 2]" 1
107 2 3 DC H5 2 3 DC H6 . . 2.900 2.386 2.343 2.430 . 0 0 "[ . 1 . 2]" 1
108 2 3 DC H6 2 4 DA H8 . . 5.000 4.726 4.313 5.084 0.084 12 0 "[ . 1 . 2]" 1
109 2 4 DA H5' 2 4 DA H8 . . 4.140 3.984 3.768 4.215 0.075 20 0 "[ . 1 . 2]" 1
110 2 4 DA H1' 2 4 DA H3' . . 3.860 3.844 3.767 3.895 0.035 16 0 "[ . 1 . 2]" 1
111 2 4 DA H3' 2 4 DA H8 . . 3.080 3.006 2.737 3.152 0.072 19 0 "[ . 1 . 2]" 1
112 2 4 DA H3' 2 5 DC H5 . . 4.320 3.292 2.835 3.820 . 0 0 "[ . 1 . 2]" 1
113 2 4 DA H3' 2 5 DC H6 . . 3.450 2.896 2.521 3.381 . 0 0 "[ . 1 . 2]" 1
114 2 4 DA H1' 2 4 DA H2' . . 2.870 2.692 2.641 2.738 . 0 0 "[ . 1 . 2]" 1
115 2 4 DA H2 2 4 DA H2' . . 4.910 4.786 4.613 4.975 0.065 16 0 "[ . 1 . 2]" 1
116 2 4 DA H2' 2 5 DC H5 . . 4.320 3.751 3.329 4.020 . 0 0 "[ . 1 . 2]" 1
117 2 4 DA H2' 2 5 DC H6 . . 2.770 2.153 2.048 2.288 . 0 0 "[ . 1 . 2]" 1
118 2 4 DA H1' 2 4 DA H2 . . 5.000 4.716 4.565 4.867 . 0 0 "[ . 1 . 2]" 1
119 2 4 DA H1' 2 4 DA H8 . . 4.040 3.786 3.732 3.847 . 0 0 "[ . 1 . 2]" 1
120 2 4 DA H1' 2 5 DC H1' . . 5.500 5.188 4.863 5.576 0.076 8 0 "[ . 1 . 2]" 1
121 2 4 DA H1' 2 5 DC H6 . . 4.660 4.732 4.716 4.742 0.082 20 0 "[ . 1 . 2]" 1
122 2 4 DA H2 2 5 DC H1' . . 3.550 3.269 3.014 3.576 0.026 17 0 "[ . 1 . 2]" 1
123 2 4 DA H8 2 5 DC H5 . . 4.690 3.888 3.495 4.381 . 0 0 "[ . 1 . 2]" 1
124 2 4 DA H8 2 5 DC H6 . . 5.310 4.754 4.398 5.113 . 0 0 "[ . 1 . 2]" 1
125 2 5 DC H5' 2 5 DC H6 . . 4.760 3.771 3.499 4.191 . 0 0 "[ . 1 . 2]" 1
126 2 5 DC H5'' 2 5 DC H6 . . 3.920 3.971 3.660 4.004 0.084 16 0 "[ . 1 . 2]" 1
127 2 5 DC H5'' 2 6 DT M7 . . 6.000 4.667 4.312 4.866 . 0 0 "[ . 1 . 2]" 1
128 2 5 DC H2'' 2 5 DC H4' . . 3.360 2.682 2.521 2.864 . 0 0 "[ . 1 . 2]" 1
129 2 5 DC H1' 2 5 DC H4' . . 3.670 3.353 3.274 3.451 . 0 0 "[ . 1 . 2]" 1
130 2 5 DC H4' 2 5 DC H6 . . 4.660 4.116 4.026 4.225 . 0 0 "[ . 1 . 2]" 1
131 2 5 DC H2' 2 5 DC H3' . . 3.110 2.441 2.416 2.463 . 0 0 "[ . 1 . 2]" 1
132 2 5 DC H2'' 2 5 DC H3' . . 3.520 3.055 3.044 3.068 . 0 0 "[ . 1 . 2]" 1
133 2 5 DC H3' 2 5 DC H5 . . 5.280 4.760 4.554 5.191 . 0 0 "[ . 1 . 2]" 1
134 2 5 DC H3' 2 5 DC H6 . . 3.270 2.912 2.713 3.183 . 0 0 "[ . 1 . 2]" 1
135 2 5 DC H3' 2 6 DT M7 . . 3.740 2.414 2.181 2.594 . 0 0 "[ . 1 . 2]" 1
136 2 5 DC H3' 2 6 DT H6 . . 3.920 3.358 3.176 3.547 . 0 0 "[ . 1 . 2]" 1
137 2 5 DC H1' 2 5 DC H2' . . 2.960 2.705 2.670 2.730 . 0 0 "[ . 1 . 2]" 1
138 2 5 DC H2' 2 6 DT H3' . . 5.500 4.410 4.106 4.608 . 0 0 "[ . 1 . 2]" 1
139 2 5 DC H2' 2 6 DT M7 . . 4.360 2.887 2.648 3.074 . 0 0 "[ . 1 . 2]" 1
140 2 5 DC H2' 2 6 DT H6 . . 2.900 2.146 2.063 2.239 . 0 0 "[ . 1 . 2]" 1
141 2 5 DC H1' 2 5 DC H2'' . . 2.620 2.294 2.264 2.356 . 0 0 "[ . 1 . 2]" 1
142 2 5 DC H2'' 2 6 DT H4' . . 4.690 4.224 3.989 4.435 . 0 0 "[ . 1 . 2]" 1
143 2 5 DC H2'' 2 6 DT H6 . . 3.670 3.697 3.554 3.740 0.070 8 0 "[ . 1 . 2]" 1
144 2 5 DC H1' 2 5 DC H5 . . 5.500 5.322 5.252 5.353 . 0 0 "[ . 1 . 2]" 1
145 2 5 DC H1' 2 5 DC H6 . . 4.040 3.603 3.539 3.637 . 0 0 "[ . 1 . 2]" 1
146 2 5 DC H1' 2 6 DT M7 . . 6.000 4.571 4.329 4.852 . 0 0 "[ . 1 . 2]" 1
147 2 5 DC H1' 2 6 DT H6 . . 5.070 4.760 4.660 4.854 . 0 0 "[ . 1 . 2]" 1
148 2 5 DC H5 2 5 DC H6 . . 2.770 2.418 2.380 2.463 . 0 0 "[ . 1 . 2]" 1
149 2 5 DC H5 2 6 DT M7 . . 3.860 2.983 2.856 3.102 . 0 0 "[ . 1 . 2]" 1
150 2 5 DC H6 2 6 DT M7 . . 4.140 3.130 2.869 3.317 . 0 0 "[ . 1 . 2]" 1
151 2 5 DC H6 2 6 DT H6 . . 5.500 5.089 4.882 5.397 . 0 0 "[ . 1 . 2]" 1
152 2 6 DT H2' 2 6 DT H4' . . 4.290 3.800 3.727 3.853 . 0 0 "[ . 1 . 2]" 1
153 2 6 DT H2'' 2 6 DT H4' . . 3.520 2.756 2.589 2.931 . 0 0 "[ . 1 . 2]" 1
154 2 6 DT H1' 2 6 DT H4' . . 3.700 3.251 3.037 3.421 . 0 0 "[ . 1 . 2]" 1
155 2 6 DT H4' 2 6 DT H6 . . 4.570 4.129 4.048 4.237 . 0 0 "[ . 1 . 2]" 1
156 2 6 DT H2' 2 6 DT H3' . . 3.020 2.375 2.347 2.421 . 0 0 "[ . 1 . 2]" 1
157 2 6 DT H2'' 2 6 DT H3' . . 3.610 3.033 3.017 3.055 . 0 0 "[ . 1 . 2]" 1
158 2 6 DT H1' 2 6 DT H3' . . 4.140 3.857 3.754 3.906 . 0 0 "[ . 1 . 2]" 1
159 2 6 DT H3' 2 6 DT M7 . . 5.660 4.387 4.140 4.681 . 0 0 "[ . 1 . 2]" 1
160 2 6 DT H3' 2 6 DT H6 . . 3.420 2.880 2.601 3.117 . 0 0 "[ . 1 . 2]" 1
161 2 6 DT H3' 2 7 DG H8 . . 4.230 3.727 3.212 4.232 0.002 6 0 "[ . 1 . 2]" 1
162 2 6 DT H1' 2 6 DT H2' . . 3.210 2.760 2.714 2.817 . 0 0 "[ . 1 . 2]" 1
163 2 6 DT H2' 2 6 DT M7 . . 6.000 4.986 4.776 5.024 . 0 0 "[ . 1 . 2]" 1
164 2 6 DT H2' 2 7 DG H8 . . 3.330 2.305 2.124 2.921 . 0 0 "[ . 1 . 2]" 1
165 2 6 DT H1' 2 6 DT H6 . . 3.950 3.595 3.540 3.669 . 0 0 "[ . 1 . 2]" 1
166 2 6 DT H6 2 6 DT M7 . . 3.240 2.295 2.247 2.379 . 0 0 "[ . 1 . 2]" 1
167 2 7 DG H5' 2 7 DG H8 . . 4.760 4.080 3.802 4.257 . 0 0 "[ . 1 . 2]" 1
168 2 7 DG H5'' 2 7 DG H8 . . 4.820 4.447 4.123 4.699 . 0 0 "[ . 1 . 2]" 1
169 2 7 DG H3' 2 7 DG H4' . . 3.080 2.796 2.714 3.026 . 0 0 "[ . 1 . 2]" 1
170 2 7 DG H2' 2 7 DG H4' . . 4.230 3.823 3.747 3.881 . 0 0 "[ . 1 . 2]" 1
171 2 7 DG H2'' 2 7 DG H4' . . 4.010 3.933 3.009 4.076 0.066 6 0 "[ . 1 . 2]" 1
172 2 7 DG H1' 2 7 DG H4' . . 3.610 3.309 3.180 3.432 . 0 0 "[ . 1 . 2]" 1
173 2 7 DG H4' 2 7 DG H8 . . 5.500 4.686 4.311 4.811 . 0 0 "[ . 1 . 2]" 1
174 2 7 DG H2' 2 7 DG H3' . . 2.930 2.341 2.235 2.397 . 0 0 "[ . 1 . 2]" 1
175 2 7 DG H2'' 2 7 DG H3' . . 3.300 2.729 2.655 3.005 . 0 0 "[ . 1 . 2]" 1
176 2 7 DG H1' 2 7 DG H3' . . 4.200 3.825 3.725 3.956 . 0 0 "[ . 1 . 2]" 1
177 2 7 DG H3' 2 7 DG H8 . . 4.380 4.231 2.738 4.461 0.081 4 0 "[ . 1 . 2]" 1
178 2 7 DG H3' 2 8 DC H5 . . 5.250 4.883 4.270 5.316 0.066 6 0 "[ . 1 . 2]" 1
179 2 7 DG H3' 2 8 DC H6 . . 5.070 4.196 3.869 4.639 . 0 0 "[ . 1 . 2]" 1
180 2 7 DG H1' 2 7 DG H2' . . 3.300 3.013 2.810 3.062 . 0 0 "[ . 1 . 2]" 1
181 2 7 DG H2' 2 7 DG H8 . . 3.110 2.533 2.345 3.175 0.065 15 0 "[ . 1 . 2]" 1
182 2 7 DG H2' 2 8 DC H5 . . 4.040 2.991 2.188 3.554 . 0 0 "[ . 1 . 2]" 1
183 2 7 DG H2'' 2 8 DC H5 . . 3.860 2.890 2.395 3.743 . 0 0 "[ . 1 . 2]" 1
184 2 7 DG H2'' 2 8 DC H6 . . 3.080 2.069 1.927 2.278 . 0 0 "[ . 1 . 2]" 1
185 2 7 DG H1' 2 8 DC H5 . . 4.730 4.236 3.756 4.802 0.072 16 0 "[ . 1 . 2]" 1
186 2 7 DG H1' 2 8 DC H6 . . 3.860 3.896 3.654 3.957 0.097 4 0 "[ . 1 . 2]" 1
187 2 7 DG H8 2 8 DC H5 . . 4.200 4.058 2.491 4.290 0.090 8 0 "[ . 1 . 2]" 1
188 2 7 DG H8 2 8 DC H6 . . 5.500 5.335 4.230 5.581 0.081 14 0 "[ . 1 . 2]" 1
189 2 8 DC H5'' 2 8 DC H6 . . 5.000 3.338 2.014 5.019 0.019 16 0 "[ . 1 . 2]" 1
190 2 8 DC H2' 2 8 DC H3' . . 2.990 2.334 2.242 2.398 . 0 0 "[ . 1 . 2]" 1
191 2 8 DC H1' 2 8 DC H3' . . 4.170 3.862 3.762 4.020 . 0 0 "[ . 1 . 2]" 1
192 2 8 DC H3' 2 8 DC H6 . . 4.320 3.934 2.265 4.405 0.085 9 0 "[ . 1 . 2]" 1
193 2 8 DC H1' 2 8 DC H2' . . 3.210 2.986 2.769 3.057 . 0 0 "[ . 1 . 2]" 1
194 2 8 DC H2' 2 8 DC H5 . . 4.880 4.532 4.136 4.931 0.051 10 0 "[ . 1 . 2]" 1
195 2 8 DC H2' 2 8 DC H6 . . 3.020 2.787 2.193 3.107 0.087 6 0 "[ . 1 . 2]" 1
196 2 8 DC H1' 2 8 DC H2'' . . 2.620 2.337 2.237 2.417 . 0 0 "[ . 1 . 2]" 1
197 2 8 DC H1' 2 8 DC H5 . . 5.500 5.423 5.339 5.472 . 0 0 "[ . 1 . 2]" 1
198 2 8 DC H1' 2 8 DC H6 . . 4.070 3.672 3.585 3.731 . 0 0 "[ . 1 . 2]" 1
199 2 8 DC H5 2 8 DC H6 . . 2.650 2.440 2.392 2.488 . 0 0 "[ . 1 . 2]" 1
200 1 1 G H3' 1 2 C H6 . . 4.600 3.203 2.180 4.290 . 0 0 "[ . 1 . 2]" 1
201 1 1 G H1' 1 1 G H2' . . 3.270 2.700 2.637 2.772 . 0 0 "[ . 1 . 2]" 1
202 1 1 G H2' 1 1 G H8 . . 4.410 3.484 2.158 4.419 0.009 9 0 "[ . 1 . 2]" 1
203 1 1 G H2' 1 2 C H5 . . 4.260 3.794 2.756 4.319 0.059 16 0 "[ . 1 . 2]" 1
204 1 2 C H3' 1 2 C H6 . . 3.640 2.456 2.148 2.797 . 0 0 "[ . 1 . 2]" 1
205 1 2 C H3' 1 3 A H8 . . 3.760 3.523 3.280 3.807 0.047 10 0 "[ . 1 . 2]" 1
206 1 3 A H2' 1 4 G H5'' . . 5.100 4.344 4.168 4.530 . 0 0 "[ . 1 . 2]" 1
207 1 3 A H2' 1 4 G H4' . . 5.380 4.129 3.875 4.392 . 0 0 "[ . 1 . 2]" 1
208 1 4 G H1' 1 4 G H4' . . 4.170 3.499 3.437 3.590 . 0 0 "[ . 1 . 2]" 1
209 1 4 G H3' 1 4 G H8 . . 4.410 3.104 2.919 3.273 . 0 0 "[ . 1 . 2]" 1
210 1 4 G H1' 1 4 G H2' . . 3.240 2.679 2.650 2.708 . 0 0 "[ . 1 . 2]" 1
211 1 4 G H2' 1 4 G H8 . . 4.010 4.063 3.992 4.084 0.074 7 0 "[ . 1 . 2]" 1
212 1 4 G H2' 1 5 U H6 . . 2.960 2.229 2.151 2.324 . 0 0 "[ . 1 . 2]" 1
213 1 5 U H3' 1 6 G H8 . . 3.490 3.399 3.232 3.546 0.056 10 0 "[ . 1 . 2]" 1
214 1 5 U H2' 1 5 U H6 . . 4.140 3.703 3.580 3.819 . 0 0 "[ . 1 . 2]" 1
215 1 6 G H5' 1 6 G H8 . . 4.290 4.266 4.085 4.350 0.060 10 0 "[ . 1 . 2]" 1
216 1 6 G H4' 1 7 G H8 . . 5.500 5.459 5.262 5.558 0.058 11 0 "[ . 1 . 2]" 1
217 1 6 G H1' 1 6 G H3' . . 4.110 3.811 3.763 3.910 . 0 0 "[ . 1 . 2]" 1
218 1 6 G H3' 1 7 G H8 . . 4.510 3.410 3.089 3.679 . 0 0 "[ . 1 . 2]" 1
219 1 6 G H2' 1 6 G H8 . . 4.010 3.781 3.570 4.006 . 0 0 "[ . 1 . 2]" 1
220 1 6 G H2' 1 7 G H8 . . 2.930 2.008 1.933 2.056 . 0 0 "[ . 1 . 2]" 1
221 1 7 G H5' 1 7 G H8 . . 4.820 4.041 3.949 4.257 . 0 0 "[ . 1 . 2]" 1
222 1 7 G H1' 1 7 G H4' . . 5.500 3.444 3.313 3.529 . 0 0 "[ . 1 . 2]" 1
223 1 7 G H3' 1 8 C H6 . . 4.320 2.672 2.070 4.060 . 0 0 "[ . 1 . 2]" 1
224 1 7 G H2' 1 7 G H8 . . 4.070 3.877 3.584 4.075 0.005 16 0 "[ . 1 . 2]" 1
225 1 7 G H2' 1 8 C H5 . . 4.110 2.980 1.977 4.189 0.079 6 0 "[ . 1 . 2]" 1
226 1 7 G H2' 1 8 C H6 . . 2.740 2.627 1.988 2.819 0.079 5 0 "[ . 1 . 2]" 1
227 1 7 G H8 1 8 C H6 . . 5.500 4.194 3.525 5.589 0.089 19 0 "[ . 1 . 2]" 1
228 2 1 DG H1' 2 1 DG H2' . . 3.180 2.733 2.666 2.823 . 0 0 "[ . 1 . 2]" 1
229 2 1 DG H2' 2 1 DG H8 . . 3.580 3.082 2.091 3.669 0.089 13 0 "[ . 1 . 2]" 1
230 2 1 DG H2' 2 2 DC H1' . . 4.570 3.933 3.477 4.526 . 0 0 "[ . 1 . 2]" 1
231 2 1 DG H2' 2 2 DC H6 . . 2.870 2.737 2.340 2.936 0.066 15 0 "[ . 1 . 2]" 1
232 2 2 DC Q5' 2 3 DC H6 . . 5.500 5.671 5.586 5.700 0.200 14 0 "[ . 1 . 2]" 1
233 2 2 DC H3' 2 3 DC H5 . . 5.030 3.638 3.292 3.902 . 0 0 "[ . 1 . 2]" 1
234 2 2 DC H2' 2 2 DC H6 . . 5.100 3.485 3.282 3.693 . 0 0 "[ . 1 . 2]" 1
235 2 2 DC H2' 2 3 DC H5 . . 4.070 3.267 2.676 3.767 . 0 0 "[ . 1 . 2]" 1
236 2 2 DC H2' 2 3 DC H6 . . 3.240 2.115 1.926 2.221 . 0 0 "[ . 1 . 2]" 1
237 2 3 DC H1' 2 3 DC H4' . . 3.700 3.300 3.097 3.447 . 0 0 "[ . 1 . 2]" 1
238 2 3 DC H1' 2 3 DC H3' . . 4.140 3.844 3.765 3.920 . 0 0 "[ . 1 . 2]" 1
239 2 3 DC H1' 2 3 DC H2' . . 3.140 2.732 2.656 2.789 . 0 0 "[ . 1 . 2]" 1
240 2 3 DC H2' 2 3 DC H6 . . 4.230 3.629 3.275 3.949 . 0 0 "[ . 1 . 2]" 1
241 2 3 DC H2' 2 4 DA H1' . . 4.540 4.217 3.838 4.593 0.053 3 0 "[ . 1 . 2]" 1
242 2 4 DA H1' 2 4 DA H4' . . 3.830 3.411 3.223 3.554 . 0 0 "[ . 1 . 2]" 1
243 2 4 DA H2' 2 5 DC H1' . . 4.510 3.677 3.194 3.974 . 0 0 "[ . 1 . 2]" 1
244 2 5 DC H2' 2 5 DC H4' . . 4.110 3.769 3.674 3.849 . 0 0 "[ . 1 . 2]" 1
245 2 5 DC H1' 2 5 DC H3' . . 4.540 3.867 3.802 3.923 . 0 0 "[ . 1 . 2]" 1
246 2 5 DC H2' 2 5 DC H6 . . 4.200 3.874 3.732 3.979 . 0 0 "[ . 1 . 2]" 1
247 2 5 DC H2' 2 6 DT H5' . . 4.070 3.083 2.637 3.493 . 0 0 "[ . 1 . 2]" 1
248 2 5 DC H2' 2 6 DT H5'' . . 4.940 4.347 4.006 4.647 . 0 0 "[ . 1 . 2]" 1
249 2 5 DC H2' 2 6 DT H4' . . 5.130 4.288 4.077 4.663 . 0 0 "[ . 1 . 2]" 1
250 2 5 DC H2'' 2 5 DC H6 . . 5.100 4.526 4.474 4.594 . 0 0 "[ . 1 . 2]" 1
251 2 5 DC H2'' 2 6 DT H5' . . 3.610 2.460 2.153 2.744 . 0 0 "[ . 1 . 2]" 1
252 2 5 DC H2'' 2 6 DT H5'' . . 4.290 4.132 3.843 4.351 0.061 6 0 "[ . 1 . 2]" 1
253 2 6 DT H3' 2 6 DT H5' . . 3.950 3.709 3.621 3.785 . 0 0 "[ . 1 . 2]" 1
254 2 6 DT H5' 2 6 DT H6 . . 4.450 3.716 3.509 3.934 . 0 0 "[ . 1 . 2]" 1
255 2 6 DT H3' 2 6 DT H5'' . . 3.580 2.895 2.744 3.036 . 0 0 "[ . 1 . 2]" 1
256 2 6 DT H5'' 2 6 DT H6 . . 4.850 4.147 4.012 4.472 . 0 0 "[ . 1 . 2]" 1
257 2 6 DT H3' 2 6 DT H4' . . 3.550 3.030 3.011 3.042 . 0 0 "[ . 1 . 2]" 1
258 2 6 DT H2' 2 6 DT H6 . . 3.700 3.696 3.446 3.772 0.072 2 0 "[ . 1 . 2]" 1
259 2 6 DT H2' 2 7 DG H5' . . 5.310 3.345 3.020 3.683 . 0 0 "[ . 1 . 2]" 1
260 2 6 DT H2' 2 7 DG H5'' . . 4.880 4.540 4.260 4.855 . 0 0 "[ . 1 . 2]" 1
261 2 6 DT H1' 2 6 DT H2'' . . 2.740 2.231 2.171 2.298 . 0 0 "[ . 1 . 2]" 1
262 2 6 DT H2'' 2 6 DT H6 . . 4.380 4.444 4.408 4.460 0.080 17 0 "[ . 1 . 2]" 1
263 2 6 DT H2'' 2 7 DG H5' . . 4.140 2.182 2.066 2.486 . 0 0 "[ . 1 . 2]" 1
264 2 6 DT H2'' 2 7 DG H5'' . . 4.510 3.805 3.702 4.022 . 0 0 "[ . 1 . 2]" 1
265 2 6 DT H2'' 2 7 DG H8 . . 3.730 3.621 3.068 3.805 0.075 20 0 "[ . 1 . 2]" 1
266 2 7 DG H3' 2 7 DG H5' . . 4.140 3.597 3.518 3.653 . 0 0 "[ . 1 . 2]" 1
267 2 7 DG H3' 2 7 DG H5'' . . 3.550 2.385 2.275 2.781 . 0 0 "[ . 1 . 2]" 1
268 2 7 DG H2' 2 8 DC H6 . . 3.890 3.263 2.176 3.746 . 0 0 "[ . 1 . 2]" 1
269 2 7 DG H1' 2 7 DG H2'' . . 2.800 2.324 2.201 2.390 . 0 0 "[ . 1 . 2]" 1
270 2 7 DG H2'' 2 7 DG H8 . . 4.600 3.911 3.715 4.365 . 0 0 "[ . 1 . 2]" 1
271 2 7 DG H1' 2 7 DG H8 . . 5.130 3.848 3.796 3.898 . 0 0 "[ . 1 . 2]" 1
272 2 8 DC H2' 2 8 DC H5'' . . 5.350 3.887 2.738 5.053 . 0 0 "[ . 1 . 2]" 1
273 2 8 DC H2' 2 8 DC H4' . . 4.570 3.869 3.761 4.094 . 0 0 "[ . 1 . 2]" 1
274 2 8 DC H2'' 2 8 DC H4' . . 4.260 3.896 2.928 4.161 . 0 0 "[ . 1 . 2]" 1
275 2 8 DC H1' 2 8 DC H4' . . 3.800 3.406 2.687 3.633 . 0 0 "[ . 1 . 2]" 1
276 2 8 DC H4' 2 8 DC H6 . . 4.450 4.209 3.999 4.501 0.051 13 0 "[ . 1 . 2]" 1
277 1 1 G H5'' 1 1 G H8 . . 5.500 3.280 2.219 6.005 0.505 18 1 "[ . 1 . + 2]" 1
278 1 1 G H4' 1 1 G H8 . . 5.500 4.427 4.139 5.503 0.003 18 0 "[ . 1 . 2]" 1
279 1 1 G H1' 1 1 G H8 . . 5.500 3.768 3.095 3.908 . 0 0 "[ . 1 . 2]" 1
280 1 1 G H8 1 2 C H6 . . 5.500 4.316 2.683 5.200 . 0 0 "[ . 1 . 2]" 1
281 1 2 C H5' 1 2 C H6 . . 5.500 3.881 3.596 4.162 . 0 0 "[ . 1 . 2]" 1
282 1 2 C H4' 1 2 C H6 . . 5.500 4.054 3.985 4.175 . 0 0 "[ . 1 . 2]" 1
283 1 3 A H5' 1 3 A H8 . . 5.500 4.092 3.928 4.271 . 0 0 "[ . 1 . 2]" 1
284 1 4 G H1' 1 4 G H3' . . 5.500 3.858 3.769 3.908 . 0 0 "[ . 1 . 2]" 1
285 1 4 G H3' 1 5 U H6 . . 5.500 3.332 3.117 3.582 . 0 0 "[ . 1 . 2]" 1
286 1 5 U H1' 1 5 U H3' . . 5.500 3.828 3.763 3.894 . 0 0 "[ . 1 . 2]" 1
287 1 5 U H2' 1 6 G H8 . . 5.500 2.322 2.136 2.471 . 0 0 "[ . 1 . 2]" 1
288 1 6 G H5'' 1 6 G H8 . . 5.500 4.736 4.546 4.943 . 0 0 "[ . 1 . 2]" 1
289 1 6 G H3' 1 6 G H8 . . 5.500 2.866 2.604 3.178 . 0 0 "[ . 1 . 2]" 1
290 1 6 G H1' 1 7 G H1' . . 5.500 5.190 4.660 5.575 0.075 6 0 "[ . 1 . 2]" 1
291 1 7 G H4' 1 8 C H6 . . 5.500 5.294 5.002 5.572 0.072 8 0 "[ . 1 . 2]" 1
292 1 7 G H1' 1 8 C H6 . . 5.500 4.914 4.070 5.371 . 0 0 "[ . 1 . 2]" 1
293 1 8 C H1' 1 8 C H6 . . 5.500 3.707 3.592 3.812 . 0 0 "[ . 1 . 2]" 1
294 2 1 DG Q5' 2 1 DG H8 . . 5.500 2.809 1.983 4.318 . 0 0 "[ . 1 . 2]" 1
295 2 1 DG H1' 2 1 DG H4' . . 5.500 3.589 3.067 3.908 . 0 0 "[ . 1 . 2]" 1
296 2 1 DG H4' 2 1 DG H8 . . 5.500 4.537 4.100 5.468 . 0 0 "[ . 1 . 2]" 1
297 2 1 DG H3' 2 1 DG H8 . . 5.500 2.707 2.105 3.446 . 0 0 "[ . 1 . 2]" 1
298 2 1 DG H3' 2 2 DC H6 . . 5.500 3.450 2.302 4.303 . 0 0 "[ . 1 . 2]" 1
299 2 1 DG H1' 2 1 DG H8 . . 5.500 3.764 3.233 3.915 . 0 0 "[ . 1 . 2]" 1
300 2 1 DG H1' 2 2 DC H6 . . 5.500 5.369 4.909 5.569 0.069 15 0 "[ . 1 . 2]" 1
301 2 1 DG H8 2 2 DC H5 . . 5.500 3.573 2.410 5.092 . 0 0 "[ . 1 . 2]" 1
302 2 2 DC H1' 2 2 DC H4' . . 5.500 3.303 3.170 3.528 . 0 0 "[ . 1 . 2]" 1
303 2 2 DC H4' 2 3 DC H6 . . 5.500 5.529 5.385 5.578 0.078 3 0 "[ . 1 . 2]" 1
304 2 2 DC H3' 2 3 DC H6 . . 5.500 3.422 3.184 3.759 . 0 0 "[ . 1 . 2]" 1
305 2 2 DC H5 2 2 DC H6 . . 5.500 2.394 2.348 2.419 . 0 0 "[ . 1 . 2]" 1
306 2 3 DC H5' 2 3 DC H6 . . 5.500 3.922 3.705 4.098 . 0 0 "[ . 1 . 2]" 1
307 2 3 DC H5'' 2 3 DC H6 . . 5.500 4.012 3.790 4.370 . 0 0 "[ . 1 . 2]" 1
308 2 3 DC H3' 2 3 DC H6 . . 5.500 2.568 2.238 2.868 . 0 0 "[ . 1 . 2]" 1
309 2 3 DC H3' 2 4 DA H8 . . 5.500 3.369 3.014 3.819 . 0 0 "[ . 1 . 2]" 1
310 2 4 DA H2' 2 4 DA H8 . . 5.500 4.011 3.730 4.194 . 0 0 "[ . 1 . 2]" 1
311 2 4 DA H2 2 5 DC H2' . . 5.500 5.541 5.421 5.581 0.081 17 0 "[ . 1 . 2]" 1
312 2 6 DT H1' 2 7 DG H8 . . 5.500 4.924 4.634 5.529 0.029 6 0 "[ . 1 . 2]" 1
313 2 7 DG H1' 2 8 DC H5' . . 5.500 4.056 2.501 5.565 0.065 5 0 "[ . 1 . 2]" 1
314 2 7 DG H1' 2 8 DC H5'' . . 5.500 4.455 3.443 5.584 0.084 15 0 "[ . 1 . 2]" 1
315 2 8 DC H1' 2 8 DC H5'' . . 5.500 4.650 4.108 5.137 . 0 0 "[ . 1 . 2]" 1
316 2 8 DC H2'' 2 8 DC H6 . . 5.500 4.084 3.660 4.300 . 0 0 "[ . 1 . 2]" 1
317 1 2 C H41 1 2 C H5 . . 4.510 3.712 3.661 3.751 . 0 0 "[ . 1 . 2]" 1
318 1 2 C H41 2 7 DG H1 . . 3.640 2.303 1.930 2.806 . 0 0 "[ . 1 . 2]" 1
319 1 2 C H42 1 2 C H5 . . 3.760 2.458 2.343 2.554 . 0 0 "[ . 1 . 2]" 1
320 1 2 C H42 2 7 DG H1 . . 4.260 3.808 3.443 4.319 0.059 11 0 "[ . 1 . 2]" 1
321 1 3 A H2 2 6 DT H3 . . 3.520 2.956 2.704 3.495 . 0 0 "[ . 1 . 2]" 1
322 1 3 A H2 2 7 DG H1 . . 5.500 4.223 3.841 4.554 . 0 0 "[ . 1 . 2]" 1
323 1 4 G H1 1 5 U H3 . . 4.910 3.204 3.016 3.285 . 0 0 "[ . 1 . 2]" 1
324 1 4 G H1 2 5 DC H41 . . 3.610 2.434 2.025 3.058 . 0 0 "[ . 1 . 2]" 1
325 1 4 G H1 2 5 DC H42 . . 4.450 3.964 3.614 4.516 0.066 12 0 "[ . 1 . 2]" 1
326 1 4 G H1 2 6 DT H3 . . 4.690 3.835 3.451 4.347 . 0 0 "[ . 1 . 2]" 1
327 1 5 U H3 2 4 DA H2 . . 3.580 2.829 2.614 3.080 . 0 0 "[ . 1 . 2]" 1
328 1 6 G H1 1 7 G H1 . . 5.500 3.446 3.080 3.683 . 0 0 "[ . 1 . 2]" 1
329 1 6 G H1 2 3 DC H41 . . 3.580 2.311 1.899 2.705 . 0 0 "[ . 1 . 2]" 1
330 1 6 G H1 2 3 DC H42 . . 4.510 3.827 3.431 4.195 . 0 0 "[ . 1 . 2]" 1
331 1 7 G H1 2 2 DC H41 . . 3.550 2.202 1.814 2.529 . 0 0 "[ . 1 . 2]" 1
332 1 7 G H1 2 2 DC H42 . . 4.290 3.693 3.301 4.033 . 0 0 "[ . 1 . 2]" 1
333 1 8 C H41 1 8 C H5 . . 3.980 3.721 3.651 3.818 . 0 0 "[ . 1 . 2]" 1
334 1 8 C H42 1 8 C H5 . . 3.490 2.505 2.348 2.620 . 0 0 "[ . 1 . 2]" 1
335 2 2 DC H41 2 2 DC H42 . . 2.560 1.728 1.712 1.762 . 0 0 "[ . 1 . 2]" 1
336 2 2 DC H41 2 2 DC H5 . . 4.760 3.726 3.696 3.757 . 0 0 "[ . 1 . 2]" 1
337 2 2 DC H41 2 3 DC H42 . . 3.890 3.647 2.612 3.949 0.059 16 0 "[ . 1 . 2]" 1
338 2 2 DC H42 2 2 DC H5 . . 3.730 2.479 2.391 2.594 . 0 0 "[ . 1 . 2]" 1
339 2 2 DC H42 2 3 DC H42 . . 5.500 3.283 2.847 3.674 . 0 0 "[ . 1 . 2]" 1
340 2 3 DC H41 2 3 DC H5 . . 3.980 3.704 3.648 3.743 . 0 0 "[ . 1 . 2]" 1
341 2 3 DC H42 2 3 DC H5 . . 3.980 2.451 2.323 2.530 . 0 0 "[ . 1 . 2]" 1
342 2 5 DC H41 2 5 DC H5 . . 3.860 3.722 3.695 3.738 . 0 0 "[ . 1 . 2]" 1
343 2 5 DC H41 2 6 DT M7 . . 5.850 4.139 3.802 4.484 . 0 0 "[ . 1 . 2]" 1
344 2 5 DC H42 2 5 DC H5 . . 3.420 2.485 2.430 2.530 . 0 0 "[ . 1 . 2]" 1
345 2 5 DC H42 2 6 DT M7 . . 5.530 3.749 3.425 4.084 . 0 0 "[ . 1 . 2]" 1
346 2 8 DC H41 2 8 DC H5 . . 4.380 3.717 3.633 3.752 . 0 0 "[ . 1 . 2]" 1
347 2 8 DC H42 2 8 DC H5 . . 3.390 2.489 2.332 2.582 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 112
_Distance_constraint_stats_list.Viol_count 969
_Distance_constraint_stats_list.Viol_total 1161.453
_Distance_constraint_stats_list.Viol_max 0.733
_Distance_constraint_stats_list.Viol_rms 0.0504
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0259
_Distance_constraint_stats_list.Viol_average_violations_only 0.0599
_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 G 3.104 0.138 4 0 "[ . 1 . 2]"
1 2 C 4.423 0.448 7 0 "[ . 1 . 2]"
1 3 A 4.747 0.455 13 0 "[ . 1 . 2]"
1 4 G 7.059 0.613 12 1 "[ . 1 + . 2]"
1 5 U 4.555 0.733 10 1 "[ . + . 2]"
1 6 G 3.901 0.523 6 1 "[ .+ 1 . 2]"
1 7 G 4.189 0.377 18 0 "[ . 1 . 2]"
1 8 C 2.461 0.112 2 0 "[ . 1 . 2]"
2 1 DG 3.287 0.126 13 0 "[ . 1 . 2]"
2 2 DC 3.707 0.377 18 0 "[ . 1 . 2]"
2 3 DC 3.853 0.523 6 1 "[ .+ 1 . 2]"
2 4 DA 4.506 0.733 10 1 "[ . + . 2]"
2 5 DC 6.157 0.613 12 1 "[ . 1 + . 2]"
2 6 DT 3.501 0.455 13 0 "[ . 1 . 2]"
2 7 DG 3.842 0.448 7 0 "[ . 1 . 2]"
2 8 DC 2.232 0.111 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G C4' 1 1 G O4' . . 1.410 1.422 1.411 1.432 0.022 7 0 "[ . 1 . 2]" 2
2 1 1 G C1' 1 1 G C4' . . 2.400 2.321 2.289 2.339 . 0 0 "[ . 1 . 2]" 2
3 1 1 G C5' 1 1 G O4' . . 2.390 2.427 2.400 2.469 0.079 4 0 "[ . 1 . 2]" 2
4 1 1 G H4' 1 1 G O4' . . 2.120 2.044 2.008 2.065 . 0 0 "[ . 1 . 2]" 2
5 1 1 G C3' 1 1 G O4' . . 2.280 2.386 2.321 2.418 0.138 4 0 "[ . 1 . 2]" 2
6 1 2 C C4' 1 2 C O4' . . 1.410 1.435 1.428 1.439 0.029 5 0 "[ . 1 . 2]" 2
7 1 2 C C1' 1 2 C C4' . . 2.400 2.354 2.337 2.379 . 0 0 "[ . 1 . 2]" 2
8 1 2 C C5' 1 2 C O4' . . 2.390 2.462 2.419 2.502 0.112 5 0 "[ . 1 . 2]" 2
9 1 2 C H4' 1 2 C O4' . . 2.120 2.053 2.041 2.070 . 0 0 "[ . 1 . 2]" 2
10 1 2 C C3' 1 2 C O4' . . 2.280 2.377 2.352 2.405 0.125 2 0 "[ . 1 . 2]" 2
11 1 3 A C4' 1 3 A O4' . . 1.410 1.420 1.411 1.427 0.017 12 0 "[ . 1 . 2]" 2
12 1 3 A C1' 1 3 A C4' . . 2.400 2.330 2.304 2.357 . 0 0 "[ . 1 . 2]" 2
13 1 3 A C5' 1 3 A O4' . . 2.390 2.484 2.460 2.510 0.120 9 0 "[ . 1 . 2]" 2
14 1 3 A H4' 1 3 A O4' . . 2.120 2.002 1.976 2.020 . 0 0 "[ . 1 . 2]" 2
15 1 3 A C3' 1 3 A O4' . . 2.280 2.368 2.352 2.391 0.111 11 0 "[ . 1 . 2]" 2
16 1 4 G C4' 1 4 G O4' . . 1.410 1.424 1.414 1.432 0.022 15 0 "[ . 1 . 2]" 2
17 1 4 G C1' 1 4 G C4' . . 2.400 2.327 2.303 2.352 . 0 0 "[ . 1 . 2]" 2
18 1 4 G C5' 1 4 G O4' . . 2.390 2.462 2.432 2.488 0.098 2 0 "[ . 1 . 2]" 2
19 1 4 G H4' 1 4 G O4' . . 2.120 2.035 2.020 2.054 . 0 0 "[ . 1 . 2]" 2
20 1 4 G C3' 1 4 G O4' . . 2.280 2.390 2.369 2.406 0.126 12 0 "[ . 1 . 2]" 2
21 1 5 U C4' 1 5 U O4' . . 1.410 1.422 1.415 1.430 0.020 4 0 "[ . 1 . 2]" 2
22 1 5 U C1' 1 5 U C4' . . 2.400 2.319 2.296 2.338 . 0 0 "[ . 1 . 2]" 2
23 1 5 U C5' 1 5 U O4' . . 2.390 2.453 2.425 2.481 0.091 7 0 "[ . 1 . 2]" 2
24 1 5 U H4' 1 5 U O4' . . 2.120 2.038 2.011 2.055 . 0 0 "[ . 1 . 2]" 2
25 1 5 U C3' 1 5 U O4' . . 2.280 2.368 2.348 2.393 0.113 15 0 "[ . 1 . 2]" 2
26 1 6 G C4' 1 6 G O4' . . 1.410 1.424 1.416 1.434 0.024 2 0 "[ . 1 . 2]" 2
27 1 6 G C1' 1 6 G C4' . . 2.400 2.317 2.293 2.344 . 0 0 "[ . 1 . 2]" 2
28 1 6 G C5' 1 6 G O4' . . 2.390 2.464 2.440 2.509 0.119 4 0 "[ . 1 . 2]" 2
29 1 6 G H4' 1 6 G O4' . . 2.120 2.043 2.007 2.058 . 0 0 "[ . 1 . 2]" 2
30 1 6 G C3' 1 6 G O4' . . 2.280 2.345 2.324 2.370 0.090 10 0 "[ . 1 . 2]" 2
31 1 7 G C4' 1 7 G O4' . . 1.410 1.421 1.410 1.431 0.021 18 0 "[ . 1 . 2]" 2
32 1 7 G C1' 1 7 G C4' . . 2.400 2.316 2.281 2.343 . 0 0 "[ . 1 . 2]" 2
33 1 7 G C5' 1 7 G O4' . . 2.390 2.453 2.407 2.520 0.130 20 0 "[ . 1 . 2]" 2
34 1 7 G H4' 1 7 G O4' . . 2.120 2.042 2.021 2.067 . 0 0 "[ . 1 . 2]" 2
35 1 7 G C3' 1 7 G O4' . . 2.280 2.379 2.359 2.394 0.114 4 0 "[ . 1 . 2]" 2
36 1 8 C C4' 1 8 C O4' . . 1.410 1.419 1.412 1.425 0.015 2 0 "[ . 1 . 2]" 2
37 1 8 C C1' 1 8 C C4' . . 2.400 2.329 2.302 2.349 . 0 0 "[ . 1 . 2]" 2
38 1 8 C C5' 1 8 C O4' . . 2.390 2.406 2.325 2.475 0.085 7 0 "[ . 1 . 2]" 2
39 1 8 C H4' 1 8 C O4' . . 2.120 2.037 2.010 2.057 . 0 0 "[ . 1 . 2]" 2
40 1 8 C C3' 1 8 C O4' . . 2.280 2.365 2.337 2.392 0.112 2 0 "[ . 1 . 2]" 2
41 2 1 DG C4' 2 1 DG O4' . . 1.410 1.424 1.415 1.430 0.020 12 0 "[ . 1 . 2]" 2
42 2 1 DG C1' 2 1 DG C4' . . 2.400 2.329 2.301 2.347 . 0 0 "[ . 1 . 2]" 2
43 2 1 DG C5' 2 1 DG O4' . . 2.390 2.437 2.391 2.478 0.088 4 0 "[ . 1 . 2]" 2
44 2 1 DG H4' 2 1 DG O4' . . 2.120 2.049 2.022 2.063 . 0 0 "[ . 1 . 2]" 2
45 2 1 DG C3' 2 1 DG O4' . . 2.280 2.383 2.339 2.406 0.126 13 0 "[ . 1 . 2]" 2
46 2 2 DC C4' 2 2 DC O4' . . 1.410 1.421 1.406 1.428 0.018 1 0 "[ . 1 . 2]" 2
47 2 2 DC C1' 2 2 DC C4' . . 2.400 2.315 2.288 2.346 . 0 0 "[ . 1 . 2]" 2
48 2 2 DC C5' 2 2 DC O4' . . 2.390 2.434 2.388 2.476 0.086 9 0 "[ . 1 . 2]" 2
49 2 2 DC H4' 2 2 DC O4' . . 2.120 2.047 1.997 2.084 . 0 0 "[ . 1 . 2]" 2
50 2 2 DC C3' 2 2 DC O4' . . 2.280 2.375 2.352 2.397 0.117 6 0 "[ . 1 . 2]" 2
51 2 3 DC C4' 2 3 DC O4' . . 1.410 1.425 1.416 1.436 0.026 2 0 "[ . 1 . 2]" 2
52 2 3 DC C1' 2 3 DC C4' . . 2.400 2.331 2.301 2.362 . 0 0 "[ . 1 . 2]" 2
53 2 3 DC C5' 2 3 DC O4' . . 2.390 2.433 2.402 2.485 0.095 1 0 "[ . 1 . 2]" 2
54 2 3 DC H4' 2 3 DC O4' . . 2.120 2.047 2.023 2.063 . 0 0 "[ . 1 . 2]" 2
55 2 3 DC C3' 2 3 DC O4' . . 2.280 2.372 2.351 2.404 0.124 5 0 "[ . 1 . 2]" 2
56 2 4 DA C4' 2 4 DA O4' . . 1.410 1.423 1.417 1.432 0.022 1 0 "[ . 1 . 2]" 2
57 2 4 DA C1' 2 4 DA C4' . . 2.400 2.338 2.306 2.369 . 0 0 "[ . 1 . 2]" 2
58 2 4 DA C5' 2 4 DA O4' . . 2.390 2.447 2.420 2.475 0.085 4 0 "[ . 1 . 2]" 2
59 2 4 DA H4' 2 4 DA O4' . . 2.120 2.043 2.028 2.065 . 0 0 "[ . 1 . 2]" 2
60 2 4 DA C3' 2 4 DA O4' . . 2.280 2.370 2.348 2.393 0.113 5 0 "[ . 1 . 2]" 2
61 2 5 DC C4' 2 5 DC O4' . . 1.410 1.421 1.414 1.430 0.020 20 0 "[ . 1 . 2]" 2
62 2 5 DC C1' 2 5 DC C4' . . 2.400 2.329 2.307 2.360 . 0 0 "[ . 1 . 2]" 2
63 2 5 DC C5' 2 5 DC O4' . . 2.390 2.430 2.406 2.473 0.083 8 0 "[ . 1 . 2]" 2
64 2 5 DC H4' 2 5 DC O4' . . 2.120 2.036 2.015 2.059 . 0 0 "[ . 1 . 2]" 2
65 2 5 DC C3' 2 5 DC O4' . . 2.280 2.380 2.356 2.394 0.114 10 0 "[ . 1 . 2]" 2
66 2 6 DT C4' 2 6 DT O4' . . 1.410 1.420 1.414 1.427 0.017 8 0 "[ . 1 . 2]" 2
67 2 6 DT C1' 2 6 DT C4' . . 2.400 2.325 2.313 2.351 . 0 0 "[ . 1 . 2]" 2
68 2 6 DT C5' 2 6 DT O4' . . 2.390 2.420 2.385 2.470 0.080 15 0 "[ . 1 . 2]" 2
69 2 6 DT H4' 2 6 DT O4' . . 2.120 2.045 2.024 2.057 . 0 0 "[ . 1 . 2]" 2
70 2 6 DT C3' 2 6 DT O4' . . 2.280 2.370 2.340 2.394 0.114 2 0 "[ . 1 . 2]" 2
71 2 7 DG C4' 2 7 DG O4' . . 1.410 1.427 1.421 1.432 0.022 9 0 "[ . 1 . 2]" 2
72 2 7 DG C1' 2 7 DG C4' . . 2.400 2.328 2.309 2.349 . 0 0 "[ . 1 . 2]" 2
73 2 7 DG C5' 2 7 DG O4' . . 2.390 2.433 2.406 2.450 0.060 3 0 "[ . 1 . 2]" 2
74 2 7 DG H4' 2 7 DG O4' . . 2.120 2.066 2.044 2.082 . 0 0 "[ . 1 . 2]" 2
75 2 7 DG C3' 2 7 DG O4' . . 2.280 2.384 2.358 2.404 0.124 16 0 "[ . 1 . 2]" 2
76 2 8 DC C4' 2 8 DC O4' . . 1.410 1.421 1.411 1.427 0.017 12 0 "[ . 1 . 2]" 2
77 2 8 DC C1' 2 8 DC C4' . . 2.400 2.334 2.285 2.364 . 0 0 "[ . 1 . 2]" 2
78 2 8 DC C5' 2 8 DC O4' . . 2.390 2.397 2.358 2.431 0.041 19 0 "[ . 1 . 2]" 2
79 2 8 DC H4' 2 8 DC O4' . . 2.120 2.062 2.031 2.089 . 0 0 "[ . 1 . 2]" 2
80 2 8 DC C3' 2 8 DC O4' . . 2.280 2.369 2.350 2.391 0.111 18 0 "[ . 1 . 2]" 2
81 1 2 C H41 2 7 DG O6 . . 2.150 1.913 1.776 2.598 0.448 7 0 "[ . 1 . 2]" 2
82 1 2 C N4 2 7 DG O6 . . 3.150 2.857 2.765 3.102 . 0 0 "[ . 1 . 2]" 2
83 1 2 C N3 2 7 DG H1 . . 2.150 1.963 1.893 2.081 . 0 0 "[ . 1 . 2]" 2
84 1 2 C N3 2 7 DG N1 . . 3.150 2.953 2.894 3.074 . 0 0 "[ . 1 . 2]" 2
85 1 2 C O2 2 7 DG H21 . . 2.150 1.964 1.770 2.212 0.062 11 0 "[ . 1 . 2]" 2
86 1 2 C O2 2 7 DG N2 . . 3.150 2.968 2.787 3.200 0.050 11 0 "[ . 1 . 2]" 2
87 1 3 A H61 2 6 DT O4 . . 2.150 1.975 1.738 2.605 0.455 13 0 "[ . 1 . 2]" 2
88 1 3 A N6 2 6 DT O4 . . 3.150 2.934 2.751 3.317 0.167 13 0 "[ . 1 . 2]" 2
89 1 3 A N1 2 6 DT H3 . . 2.150 1.908 1.800 2.403 0.253 6 0 "[ . 1 . 2]" 2
90 1 3 A N1 2 6 DT N3 . . 3.150 2.891 2.799 3.170 0.020 6 0 "[ . 1 . 2]" 2
91 1 4 G O6 2 5 DC H41 . . 2.150 2.080 1.812 2.763 0.613 12 1 "[ . 1 + . 2]" 2
92 1 4 G O6 2 5 DC N4 . . 3.150 3.075 2.819 3.721 0.571 12 1 "[ . 1 + . 2]" 2
93 1 4 G H1 2 5 DC N3 . . 2.150 1.927 1.862 2.114 . 0 0 "[ . 1 . 2]" 2
94 1 4 G N1 2 5 DC N3 . . 3.150 2.926 2.862 3.121 . 0 0 "[ . 1 . 2]" 2
95 1 4 G H21 2 5 DC O2 . . 2.150 1.801 1.692 1.904 . 0 0 "[ . 1 . 2]" 2
96 1 4 G N2 2 5 DC O2 . . 3.150 2.819 2.704 2.927 . 0 0 "[ . 1 . 2]" 2
97 1 5 U O4 2 4 DA H61 . . 2.150 1.916 1.764 2.883 0.733 10 1 "[ . + . 2]" 2
98 1 5 U O4 2 4 DA N6 . . 3.150 2.919 2.780 3.714 0.564 10 1 "[ . + . 2]" 2
99 1 5 U H3 2 4 DA N1 . . 2.150 1.871 1.816 1.970 . 0 0 "[ . 1 . 2]" 2
100 1 5 U N3 2 4 DA N1 . . 3.150 2.875 2.808 2.968 . 0 0 "[ . 1 . 2]" 2
101 1 6 G O6 2 3 DC H41 . . 2.150 1.813 1.760 1.956 . 0 0 "[ . 1 . 2]" 2
102 1 6 G O6 2 3 DC N4 . . 3.150 2.818 2.757 2.972 . 0 0 "[ . 1 . 2]" 2
103 1 6 G H1 2 3 DC N3 . . 2.150 1.926 1.885 1.994 . 0 0 "[ . 1 . 2]" 2
104 1 6 G N1 2 3 DC N3 . . 3.150 2.928 2.884 3.000 . 0 0 "[ . 1 . 2]" 2
105 1 6 G H21 2 3 DC O2 . . 2.150 1.968 1.765 2.673 0.523 6 1 "[ .+ 1 . 2]" 2
106 1 6 G N2 2 3 DC O2 . . 3.150 2.967 2.786 3.474 0.324 6 0 "[ . 1 . 2]" 2
107 1 7 G O6 2 2 DC H41 . . 2.150 1.950 1.798 2.527 0.377 18 0 "[ . 1 . 2]" 2
108 1 7 G O6 2 2 DC N4 . . 3.150 2.949 2.811 3.408 0.258 18 0 "[ . 1 . 2]" 2
109 1 7 G H1 2 2 DC N3 . . 2.150 1.949 1.853 2.227 0.077 18 0 "[ . 1 . 2]" 2
110 1 7 G N1 2 2 DC N3 . . 3.150 2.930 2.859 3.140 . 0 0 "[ . 1 . 2]" 2
111 1 7 G H21 2 2 DC O2 . . 2.150 1.868 1.762 1.997 . 0 0 "[ . 1 . 2]" 2
112 1 7 G N2 2 2 DC O2 . . 3.150 2.848 2.740 2.981 . 0 0 "[ . 1 . 2]" 2
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