NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377314 |
1g7z   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g7z
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 14
_Distance_constraint_stats_list.Viol_count 178
_Distance_constraint_stats_list.Viol_total 115.205
_Distance_constraint_stats_list.Viol_max 0.086
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0206
_Distance_constraint_stats_list.Viol_average_violations_only 0.0324
_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 DC 1.273 0.082 6 0 "[ . 1 . 2]"
1 2 DG 1.548 0.082 6 0 "[ . 1 . 2]"
1 3 DC 0.647 0.042 1 0 "[ . 1 . 2]"
1 4 DT 0.372 0.042 1 0 "[ . 1 . 2]"
1 5 DA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 DC 1.033 0.052 20 0 "[ . 1 . 2]"
1 8 DG 1.033 0.052 20 0 "[ . 1 . 2]"
2 1 DC 1.321 0.086 1 0 "[ . 1 . 2]"
2 2 DG 1.529 0.086 1 0 "[ . 1 . 2]"
2 3 DC 0.594 0.034 18 0 "[ . 1 . 2]"
2 4 DT 0.386 0.034 18 0 "[ . 1 . 2]"
2 5 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 DC 0.891 0.049 8 0 "[ . 1 . 2]"
2 8 DG 0.891 0.049 8 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 2 DG H1' 1 3 DC H1' . 4.000 5.000 5.013 4.995 5.027 0.027 8 0 "[ . 1 . 2]" 1
2 2 2 DG H1' 2 3 DC H1' . 4.000 5.000 5.009 4.967 5.020 0.020 20 0 "[ . 1 . 2]" 1
3 1 3 DC H1' 1 4 DT H1' . 4.000 5.000 5.019 5.008 5.042 0.042 1 0 "[ . 1 . 2]" 1
4 2 3 DC H1' 2 4 DT H1' . 4.000 5.000 5.019 5.009 5.034 0.034 18 0 "[ . 1 . 2]" 1
5 1 5 DA H1' 1 6 DG H1' . 4.000 5.000 4.344 4.143 4.470 . 0 0 "[ . 1 . 2]" 1
6 2 5 DA H1' 2 6 DG H1' . 4.000 5.000 4.237 4.130 4.445 . 0 0 "[ . 1 . 2]" 1
7 1 1 DC H1' 1 2 DG H1' . 4.000 5.000 4.742 4.627 4.883 . 0 0 "[ . 1 . 2]" 1
8 2 1 DC H1' 2 2 DG H1' . 4.000 5.000 4.778 4.633 4.894 . 0 0 "[ . 1 . 2]" 1
9 1 7 DC H1' 1 8 DG H1' . 4.000 5.000 5.004 4.996 5.006 0.006 3 0 "[ . 1 . 2]" 1
10 2 7 DC H1' 2 8 DG H1' . 4.000 5.000 4.942 4.888 5.027 0.027 3 0 "[ . 1 . 2]" 1
11 1 7 DC H1' 1 8 DG H5' . . 2.300 2.348 2.341 2.352 0.052 20 0 "[ . 1 . 2]" 1
12 2 7 DC H1' 2 8 DG H5' . . 2.300 2.343 2.337 2.349 0.049 8 0 "[ . 1 . 2]" 1
13 1 1 DC H1' 1 2 DG H5' . . 2.300 2.364 2.342 2.382 0.082 6 0 "[ . 1 . 2]" 1
14 2 1 DC H1' 2 2 DG H5' . . 2.300 2.366 2.343 2.386 0.086 1 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 476
_Distance_constraint_stats_list.Viol_count 2564
_Distance_constraint_stats_list.Viol_total 2328.858
_Distance_constraint_stats_list.Viol_max 0.212
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.0454
_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 DC 13.977 0.134 18 0 "[ . 1 . 2]"
1 2 DG 15.031 0.131 15 0 "[ . 1 . 2]"
1 3 DC 8.262 0.107 18 0 "[ . 1 . 2]"
1 4 DT 5.561 0.075 11 0 "[ . 1 . 2]"
1 5 DA 11.668 0.148 18 0 "[ . 1 . 2]"
1 6 DG 16.153 0.148 18 0 "[ . 1 . 2]"
1 7 DC 13.899 0.106 16 0 "[ . 1 . 2]"
1 8 DG 4.627 0.069 1 0 "[ . 1 . 2]"
2 1 DC 13.392 0.131 5 0 "[ . 1 . 2]"
2 2 DG 14.796 0.131 5 0 "[ . 1 . 2]"
2 3 DC 8.924 0.100 1 0 "[ . 1 . 2]"
2 4 DT 8.077 0.104 1 0 "[ . 1 . 2]"
2 5 DA 13.929 0.212 7 0 "[ . 1 . 2]"
2 6 DG 16.041 0.142 1 0 "[ . 1 . 2]"
2 7 DC 14.186 0.119 15 0 "[ . 1 . 2]"
2 8 DG 4.178 0.068 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 5 DA H1' 1 5 DA H2'' 2.620 2.105 2.620 2.363 2.325 2.475 . 0 0 "[ . 1 . 2]" 2
2 1 5 DA H1' 1 5 DA H2' 3.410 2.435 3.410 3.006 2.979 3.085 . 0 0 "[ . 1 . 2]" 2
3 1 5 DA H1' 1 5 DA H3' 4.830 3.505 4.830 3.754 3.698 3.783 . 0 0 "[ . 1 . 2]" 2
4 1 5 DA H1' 1 5 DA H4' 3.420 2.845 3.420 2.983 2.892 3.117 . 0 0 "[ . 1 . 2]" 2
5 1 5 DA H1' 1 5 DA H5' 4.760 3.465 4.760 4.628 4.549 4.652 . 0 0 "[ . 1 . 2]" 2
6 1 5 DA H1' 1 5 DA H5'' 4.800 3.325 4.800 4.828 4.748 4.847 0.047 17 0 "[ . 1 . 2]" 2
7 1 5 DA H1' 1 6 DG H2'' 5.800 3.860 5.800 5.225 5.052 5.319 . 0 0 "[ . 1 . 2]" 2
8 1 5 DA H1' 1 6 DG H2' 3.710 2.835 3.710 3.807 3.724 3.845 0.135 8 0 "[ . 1 . 2]" 2
9 1 5 DA H1' 1 6 DG H3' 6.650 4.090 6.650 4.978 4.511 5.110 . 0 0 "[ . 1 . 2]" 2
10 1 5 DA H1' 1 6 DG H4' 4.210 3.445 4.210 4.231 4.216 4.261 0.051 9 0 "[ . 1 . 2]" 2
11 1 4 DT H1' 1 5 DA H1' 4.870 3.200 4.870 4.924 4.911 4.939 0.069 8 0 "[ . 1 . 2]" 2
12 1 5 DA H1' 1 5 DA H2 4.410 3.715 4.410 4.441 4.433 4.447 0.037 15 0 "[ . 1 . 2]" 2
13 1 5 DA H2 2 5 DA H4' 6.600 4.700 6.600 5.778 5.198 6.472 . 0 0 "[ . 1 . 2]" 2
14 1 5 DA H2 1 6 DG H1' 4.930 3.745 4.930 4.093 3.961 4.304 . 0 0 "[ . 1 . 2]" 2
15 1 5 DA H2 1 6 DG H4' 6.790 4.310 6.790 5.407 5.221 5.548 . 0 0 "[ . 1 . 2]" 2
16 1 5 DA H2'' 1 6 DG H2' 3.360 2.335 3.360 2.794 2.630 3.077 . 0 0 "[ . 1 . 2]" 2
17 1 4 DT H2' 1 5 DA H2' 5.430 3.360 5.430 5.307 4.895 5.457 0.027 10 0 "[ . 1 . 2]" 2
18 1 5 DA H2'' 1 5 DA H3' 3.190 2.365 3.190 2.641 2.602 2.679 . 0 0 "[ . 1 . 2]" 2
19 1 5 DA H2' 1 5 DA H3' 2.610 2.075 2.610 2.258 2.207 2.367 . 0 0 "[ . 1 . 2]" 2
20 1 5 DA H3' 1 5 DA H4' 2.960 2.445 2.960 2.920 2.818 2.966 0.006 8 0 "[ . 1 . 2]" 2
21 1 5 DA H3' 1 5 DA H5' 3.820 2.625 3.820 3.682 3.603 3.708 . 0 0 "[ . 1 . 2]" 2
22 1 5 DA H3' 1 5 DA H5'' 2.810 2.275 2.810 2.513 2.381 2.621 . 0 0 "[ . 1 . 2]" 2
23 1 5 DA H3' 1 6 DG H2' 4.990 3.590 4.990 5.097 5.009 5.138 0.148 18 0 "[ . 1 . 2]" 2
24 1 4 DT H2'' 1 5 DA H3' 6.040 3.840 6.040 4.792 4.569 4.967 . 0 0 "[ . 1 . 2]" 2
25 1 4 DT H2' 1 5 DA H3' 6.600 4.440 6.600 6.490 6.292 6.618 0.018 11 0 "[ . 1 . 2]" 2
26 1 5 DA H2'' 1 5 DA H4' 4.490 3.245 4.490 3.897 3.806 4.022 . 0 0 "[ . 1 . 2]" 2
27 1 5 DA H2' 1 5 DA H4' 4.270 3.265 4.270 3.826 3.811 3.834 . 0 0 "[ . 1 . 2]" 2
28 1 5 DA H4' 1 5 DA H5' 3.000 2.185 3.000 2.398 2.377 2.428 . 0 0 "[ . 1 . 2]" 2
29 1 5 DA H4' 1 5 DA H5'' 2.650 2.025 2.650 2.432 2.382 2.496 . 0 0 "[ . 1 . 2]" 2
30 1 4 DT H2'' 1 5 DA H4' 6.150 4.560 6.150 4.813 4.637 5.214 . 0 0 "[ . 1 . 2]" 2
31 1 4 DT H2' 1 5 DA H4' 6.820 4.380 6.820 6.514 6.391 6.828 0.008 1 0 "[ . 1 . 2]" 2
32 1 5 DA H2'' 1 5 DA H5'' 5.160 3.560 5.160 4.768 4.608 4.872 . 0 0 "[ . 1 . 2]" 2
33 1 5 DA H1' 1 5 DA H8 4.600 3.505 4.600 3.897 3.831 3.932 . 0 0 "[ . 1 . 2]" 2
34 1 5 DA H2'' 1 5 DA H8 4.590 2.750 4.590 3.760 3.473 3.909 . 0 0 "[ . 1 . 2]" 2
35 1 5 DA H2' 1 5 DA H8 2.440 . 2.440 2.368 2.248 2.441 0.001 7 0 "[ . 1 . 2]" 2
36 1 5 DA H3' 1 5 DA H8 5.670 3.900 5.670 4.332 4.195 4.569 . 0 0 "[ . 1 . 2]" 2
37 1 5 DA H4' 1 5 DA H8 5.810 4.260 5.810 5.011 4.853 5.229 . 0 0 "[ . 1 . 2]" 2
38 1 5 DA H5' 1 5 DA H8 5.860 3.780 5.860 4.761 4.615 4.944 . 0 0 "[ . 1 . 2]" 2
39 1 5 DA H5'' 1 5 DA H8 5.120 3.570 5.120 5.172 5.153 5.222 0.102 1 0 "[ . 1 . 2]" 2
40 1 5 DA H8 1 6 DG H8 6.850 4.200 6.850 4.177 4.143 4.415 0.057 6 0 "[ . 1 . 2]" 2
41 1 4 DT H1' 1 5 DA H8 4.740 3.625 4.740 3.902 3.619 4.289 0.006 7 0 "[ . 1 . 2]" 2
42 1 4 DT H2'' 1 5 DA H8 3.110 2.505 3.110 2.451 2.437 2.474 0.068 6 0 "[ . 1 . 2]" 2
43 1 4 DT H2' 1 5 DA H8 4.510 3.160 4.510 3.448 3.235 3.618 . 0 0 "[ . 1 . 2]" 2
44 1 4 DT H3' 1 5 DA H8 6.120 4.200 6.120 5.044 4.779 5.173 . 0 0 "[ . 1 . 2]" 2
45 1 4 DT H6 1 5 DA H8 6.370 4.060 6.370 4.803 4.387 4.982 . 0 0 "[ . 1 . 2]" 2
46 2 5 DA H1' 2 5 DA H2'' 2.630 2.085 2.630 2.451 2.398 2.526 . 0 0 "[ . 1 . 2]" 2
47 2 5 DA H1' 2 5 DA H2' 3.430 2.335 3.430 3.058 3.010 3.101 . 0 0 "[ . 1 . 2]" 2
48 2 5 DA H1' 2 5 DA H3' 4.820 3.505 4.820 3.728 3.695 3.759 . 0 0 "[ . 1 . 2]" 2
49 2 5 DA H1' 2 5 DA H4' 3.430 2.845 3.430 3.070 2.917 3.175 . 0 0 "[ . 1 . 2]" 2
50 2 5 DA H1' 2 5 DA H5' 4.760 3.465 4.760 4.650 4.583 4.768 0.008 7 0 "[ . 1 . 2]" 2
51 2 5 DA H1' 2 5 DA H5'' 4.800 3.305 4.800 4.780 4.277 4.839 0.039 1 0 "[ . 1 . 2]" 2
52 2 5 DA H1' 2 6 DG H2'' 5.780 3.840 5.780 5.143 5.030 5.302 . 0 0 "[ . 1 . 2]" 2
53 2 5 DA H1' 2 6 DG H2' 3.720 2.795 3.720 3.791 3.738 3.835 0.115 20 0 "[ . 1 . 2]" 2
54 2 5 DA H1' 2 6 DG H3' 6.560 4.090 6.560 4.784 4.477 5.039 . 0 0 "[ . 1 . 2]" 2
55 2 5 DA H1' 2 6 DG H4' 4.230 3.435 4.230 4.261 4.237 4.285 0.055 6 0 "[ . 1 . 2]" 2
56 2 4 DT H1' 2 5 DA H1' 4.860 3.190 4.860 4.919 4.901 4.951 0.091 7 0 "[ . 1 . 2]" 2
57 1 5 DA H4' 2 5 DA H2 6.620 4.680 6.620 5.943 5.175 6.324 . 0 0 "[ . 1 . 2]" 2
58 2 5 DA H1' 2 5 DA H2 4.400 3.715 4.400 4.439 4.426 4.451 0.051 1 0 "[ . 1 . 2]" 2
59 2 5 DA H2 2 6 DG H1' 4.930 3.775 4.930 4.090 3.903 4.213 . 0 0 "[ . 1 . 2]" 2
60 2 5 DA H2 2 6 DG H4' 6.710 4.310 6.710 5.395 5.267 5.570 . 0 0 "[ . 1 . 2]" 2
61 2 5 DA H2'' 2 6 DG H2' 3.390 2.325 3.390 3.120 2.897 3.275 . 0 0 "[ . 1 . 2]" 2
62 2 4 DT H2' 2 5 DA H2' 4.800 3.240 4.800 4.836 4.647 4.887 0.087 1 0 "[ . 1 . 2]" 2
63 2 5 DA H2'' 2 5 DA H3' 3.220 2.375 3.220 2.613 2.589 2.653 . 0 0 "[ . 1 . 2]" 2
64 2 5 DA H2' 2 5 DA H3' 2.600 2.035 2.600 2.350 2.244 2.394 . 0 0 "[ . 1 . 2]" 2
65 2 5 DA H3' 2 5 DA H4' 2.960 2.435 2.960 2.849 2.796 2.931 . 0 0 "[ . 1 . 2]" 2
66 2 5 DA H3' 2 5 DA H5' 3.940 2.645 3.940 3.607 2.704 3.688 . 0 0 "[ . 1 . 2]" 2
67 2 5 DA H3' 2 5 DA H5'' 2.810 2.265 2.810 2.418 2.312 2.598 . 0 0 "[ . 1 . 2]" 2
68 2 5 DA H3' 2 6 DG H2' 5.090 3.600 5.090 5.150 5.100 5.232 0.142 1 0 "[ . 1 . 2]" 2
69 2 4 DT H2'' 2 5 DA H3' 5.870 3.870 5.870 4.786 4.423 5.029 . 0 0 "[ . 1 . 2]" 2
70 2 4 DT H2' 2 5 DA H3' 6.660 4.360 6.660 6.443 6.124 6.651 . 0 0 "[ . 1 . 2]" 2
71 2 5 DA H2'' 2 5 DA H4' 4.480 3.295 4.480 4.013 3.948 4.052 . 0 0 "[ . 1 . 2]" 2
72 2 5 DA H2' 2 5 DA H4' 4.300 3.235 4.300 3.783 3.771 3.815 . 0 0 "[ . 1 . 2]" 2
73 2 5 DA H4' 2 5 DA H5' 3.040 2.185 3.040 2.412 2.283 2.478 . 0 0 "[ . 1 . 2]" 2
74 2 5 DA H4' 2 5 DA H5'' 2.650 2.035 2.650 2.455 2.323 2.862 0.212 7 0 "[ . 1 . 2]" 2
75 2 4 DT H2'' 2 5 DA H4' 7.140 4.810 7.140 4.766 4.746 4.783 0.064 7 0 "[ . 1 . 2]" 2
76 2 4 DT H2' 2 5 DA H4' 6.410 4.550 6.410 6.450 6.420 6.472 0.062 11 0 "[ . 1 . 2]" 2
77 2 5 DA H2'' 2 5 DA H5'' 5.100 3.845 5.100 4.614 4.071 4.810 . 0 0 "[ . 1 . 2]" 2
78 2 5 DA H1' 2 5 DA H8 4.760 3.515 4.760 3.845 3.829 3.893 . 0 0 "[ . 1 . 2]" 2
79 2 5 DA H2'' 2 5 DA H8 4.510 2.800 4.510 3.465 3.366 3.655 . 0 0 "[ . 1 . 2]" 2
80 2 5 DA H2' 2 5 DA H8 2.440 . 2.440 2.214 2.175 2.374 . 0 0 "[ . 1 . 2]" 2
81 2 5 DA H3' 2 5 DA H8 5.690 4.030 5.690 4.473 4.274 4.669 . 0 0 "[ . 1 . 2]" 2
82 2 5 DA H4' 2 5 DA H8 5.730 4.280 5.730 5.119 4.933 5.293 . 0 0 "[ . 1 . 2]" 2
83 2 5 DA H5' 2 5 DA H8 5.720 3.880 5.720 4.844 4.528 5.731 0.011 7 0 "[ . 1 . 2]" 2
84 2 5 DA H5'' 2 5 DA H8 5.040 3.540 5.040 5.090 4.138 5.159 0.119 18 0 "[ . 1 . 2]" 2
85 2 5 DA H8 2 6 DG H8 6.800 4.050 6.800 4.139 4.010 4.366 0.040 1 0 "[ . 1 . 2]" 2
86 2 4 DT H1' 2 5 DA H8 4.650 3.595 4.650 4.002 3.591 4.284 0.004 8 0 "[ . 1 . 2]" 2
87 2 4 DT H2'' 2 5 DA H8 3.120 2.515 3.120 2.463 2.411 2.769 0.104 1 0 "[ . 1 . 2]" 2
88 2 4 DT H2' 2 5 DA H8 4.420 3.150 4.420 3.320 3.272 3.475 . 0 0 "[ . 1 . 2]" 2
89 2 4 DT H3' 2 5 DA H8 5.990 4.160 5.990 4.993 4.815 5.303 . 0 0 "[ . 1 . 2]" 2
90 2 4 DT H6 2 5 DA H8 6.370 4.060 6.370 4.718 4.052 5.001 0.008 7 0 "[ . 1 . 2]" 2
91 1 1 DC H1' 1 1 DC H2'' 2.740 2.215 2.740 2.231 2.211 2.252 0.004 16 0 "[ . 1 . 2]" 2
92 1 1 DC H1' 1 1 DC H2' 4.660 3.030 4.660 3.012 3.000 3.020 0.030 5 0 "[ . 1 . 2]" 2
93 1 1 DC H1' 1 1 DC H3' 4.400 3.495 4.400 3.886 3.856 3.912 . 0 0 "[ . 1 . 2]" 2
94 1 1 DC H1' 1 1 DC H4' 3.290 2.705 3.290 2.617 2.600 2.642 0.105 8 0 "[ . 1 . 2]" 2
95 1 1 DC H1' 1 2 DG H4' 6.060 3.790 6.060 4.167 4.067 4.282 . 0 0 "[ . 1 . 2]" 2
96 1 1 DC H2'' 1 1 DC H3' 4.630 3.150 4.630 3.044 3.032 3.061 0.118 15 0 "[ . 1 . 2]" 2
97 1 1 DC H2' 1 1 DC H3' 2.920 2.425 2.920 2.389 2.386 2.392 0.039 1 0 "[ . 1 . 2]" 2
98 1 1 DC H3' 1 1 DC H4' 3.140 2.575 3.140 2.951 2.925 2.988 . 0 0 "[ . 1 . 2]" 2
99 1 1 DC H2' 1 1 DC H4' 4.880 3.525 4.880 3.881 3.845 3.926 . 0 0 "[ . 1 . 2]" 2
100 1 1 DC H2' 1 1 DC H5 5.500 4.000 5.500 4.348 4.311 4.377 . 0 0 "[ . 1 . 2]" 2
101 1 1 DC H3' 1 1 DC H5 6.000 4.300 6.000 5.889 5.692 6.021 0.021 15 0 "[ . 1 . 2]" 2
102 1 1 DC H1' 1 1 DC H6 3.450 2.895 3.450 3.583 3.581 3.584 0.134 18 0 "[ . 1 . 2]" 2
103 1 1 DC H2'' 1 1 DC H6 4.970 3.370 4.970 3.679 3.654 3.712 . 0 0 "[ . 1 . 2]" 2
104 1 1 DC H2' 1 1 DC H6 2.820 2.335 2.820 2.304 2.292 2.321 0.043 6 0 "[ . 1 . 2]" 2
105 1 1 DC H3' 1 1 DC H6 4.260 3.335 4.260 3.492 3.294 3.629 0.041 12 0 "[ . 1 . 2]" 2
106 1 1 DC H4' 1 1 DC H6 5.670 3.920 5.670 4.539 4.467 4.623 . 0 0 "[ . 1 . 2]" 2
107 1 1 DC H6 1 2 DG H5' 6.840 4.870 6.840 5.667 5.626 5.729 . 0 0 "[ . 1 . 2]" 2
108 2 1 DC H1' 2 1 DC H2'' 2.750 2.215 2.750 2.235 2.212 2.254 0.003 19 0 "[ . 1 . 2]" 2
109 2 1 DC H1' 2 1 DC H2' 4.710 3.020 4.710 3.008 2.996 3.017 0.024 9 0 "[ . 1 . 2]" 2
110 2 1 DC H1' 2 1 DC H3' 4.360 3.505 4.360 3.882 3.851 3.906 . 0 0 "[ . 1 . 2]" 2
111 2 1 DC H1' 2 1 DC H4' 3.290 2.695 3.290 2.608 2.594 2.630 0.101 20 0 "[ . 1 . 2]" 2
112 2 1 DC H1' 2 2 DG H4' 6.230 3.860 6.230 4.172 4.051 4.266 . 0 0 "[ . 1 . 2]" 2
113 2 1 DC H2'' 2 1 DC H3' 4.620 3.130 4.620 3.035 3.022 3.053 0.108 3 0 "[ . 1 . 2]" 2
114 2 1 DC H2' 2 1 DC H3' 2.920 2.425 2.920 2.387 2.385 2.389 0.040 8 0 "[ . 1 . 2]" 2
115 2 1 DC H3' 2 1 DC H4' 3.150 2.565 3.150 2.952 2.926 2.990 . 0 0 "[ . 1 . 2]" 2
116 2 1 DC H2' 2 1 DC H4' 4.840 3.545 4.840 3.876 3.840 3.924 . 0 0 "[ . 1 . 2]" 2
117 2 1 DC H2' 2 1 DC H5 5.640 4.040 5.640 4.331 4.300 4.361 . 0 0 "[ . 1 . 2]" 2
118 2 1 DC H3' 2 1 DC H5 6.000 4.300 6.000 5.883 5.676 6.021 0.021 5 0 "[ . 1 . 2]" 2
119 2 1 DC H1' 2 1 DC H6 3.460 2.905 3.460 3.588 3.587 3.589 0.129 19 0 "[ . 1 . 2]" 2
120 2 1 DC H2'' 2 1 DC H6 4.930 3.350 4.930 3.689 3.657 3.723 . 0 0 "[ . 1 . 2]" 2
121 2 1 DC H2' 2 1 DC H6 2.820 2.335 2.820 2.309 2.293 2.326 0.042 1 0 "[ . 1 . 2]" 2
122 2 1 DC H3' 2 1 DC H6 4.410 3.325 4.410 3.493 3.285 3.637 0.040 19 0 "[ . 1 . 2]" 2
123 2 1 DC H4' 2 1 DC H6 5.600 3.960 5.600 4.528 4.461 4.616 . 0 0 "[ . 1 . 2]" 2
124 2 1 DC H6 2 2 DG H5' 7.050 4.940 7.050 5.674 5.634 5.732 . 0 0 "[ . 1 . 2]" 2
125 1 3 DC H1' 1 3 DC H2'' 2.530 2.015 2.530 2.322 2.309 2.332 . 0 0 "[ . 1 . 2]" 2
126 1 3 DC H1' 1 3 DC H2' 3.740 2.635 3.740 3.022 3.007 3.026 . 0 0 "[ . 1 . 2]" 2
127 1 3 DC H1' 1 3 DC H3' 4.500 3.275 4.500 3.834 3.825 3.859 . 0 0 "[ . 1 . 2]" 2
128 1 3 DC H1' 1 3 DC H4' 3.070 2.565 3.070 3.070 3.055 3.080 0.010 11 0 "[ . 1 . 2]" 2
129 1 3 DC H1' 1 4 DT H3' 6.950 4.070 6.950 5.320 4.881 5.416 . 0 0 "[ . 1 . 2]" 2
130 1 3 DC H1' 1 4 DT H5'' 4.000 2.635 4.000 4.057 4.021 4.066 0.066 13 0 "[ . 1 . 2]" 2
131 1 3 DC H2'' 1 3 DC H3' 3.350 2.595 3.350 2.752 2.744 2.781 . 0 0 "[ . 1 . 2]" 2
132 1 3 DC H2' 1 3 DC H3' 2.720 2.165 2.720 2.158 2.143 2.161 0.022 11 0 "[ . 1 . 2]" 2
133 1 3 DC H3' 1 3 DC H4' 3.000 2.425 3.000 2.917 2.910 2.939 . 0 0 "[ . 1 . 2]" 2
134 1 3 DC H3' 1 3 DC H5'' 2.720 2.145 2.720 2.558 2.547 2.568 . 0 0 "[ . 1 . 2]" 2
135 1 3 DC H2'' 1 3 DC H5 5.840 4.090 5.840 5.443 5.395 5.615 . 0 0 "[ . 1 . 2]" 2
136 1 3 DC H2' 1 3 DC H5 5.630 3.520 5.630 4.121 4.091 4.213 . 0 0 "[ . 1 . 2]" 2
137 1 3 DC H3' 1 3 DC H5 5.810 4.040 5.810 5.863 5.819 5.873 0.063 1 0 "[ . 1 . 2]" 2
138 1 2 DG H2'' 1 3 DC H5 3.830 2.915 3.830 2.867 2.846 2.884 0.069 6 0 "[ . 1 . 2]" 2
139 1 2 DG H2' 1 3 DC H5 4.060 3.085 4.060 3.790 3.717 3.867 . 0 0 "[ . 1 . 2]" 2
140 1 2 DG H4' 1 3 DC H5 6.530 4.690 6.530 6.559 6.540 6.579 0.049 11 0 "[ . 1 . 2]" 2
141 1 2 DG H2'' 1 3 DC H5' 4.360 3.245 4.360 4.207 4.167 4.238 . 0 0 "[ . 1 . 2]" 2
142 1 3 DC H2' 1 3 DC H5'' 4.890 3.505 4.890 4.131 4.098 4.225 . 0 0 "[ . 1 . 2]" 2
143 1 3 DC H2'' 1 3 DC H6 4.280 2.860 4.280 3.706 3.675 3.805 . 0 0 "[ . 1 . 2]" 2
144 1 3 DC H2' 1 3 DC H6 2.600 2.075 2.600 2.221 2.191 2.284 . 0 0 "[ . 1 . 2]" 2
145 1 3 DC H3' 1 3 DC H6 4.720 3.070 4.720 3.630 3.536 3.651 . 0 0 "[ . 1 . 2]" 2
146 1 3 DC H4' 1 3 DC H6 4.400 3.505 4.400 4.399 4.386 4.409 0.009 11 0 "[ . 1 . 2]" 2
147 1 3 DC H5' 1 3 DC H6 5.640 3.890 5.640 3.896 3.883 3.942 0.007 14 0 "[ . 1 . 2]" 2
148 1 3 DC H5'' 1 3 DC H6 4.500 2.985 4.500 4.390 4.378 4.421 . 0 0 "[ . 1 . 2]" 2
149 1 2 DG H2'' 1 3 DC H6 2.930 2.345 2.930 2.531 2.455 2.593 . 0 0 "[ . 1 . 2]" 2
150 1 2 DG H2' 1 3 DC H6 4.790 2.900 4.790 4.111 4.035 4.184 . 0 0 "[ . 1 . 2]" 2
151 1 2 DG H3' 1 3 DC H6 6.210 3.820 6.210 5.015 4.953 5.056 . 0 0 "[ . 1 . 2]" 2
152 1 2 DG H4' 1 3 DC H6 6.090 4.210 6.090 5.530 5.454 5.596 . 0 0 "[ . 1 . 2]" 2
153 2 3 DC H1' 2 3 DC H2'' 2.530 2.005 2.530 2.320 2.308 2.330 . 0 0 "[ . 1 . 2]" 2
154 2 3 DC H1' 2 3 DC H2' 3.660 2.615 3.660 3.026 3.009 3.033 . 0 0 "[ . 1 . 2]" 2
155 2 3 DC H1' 2 3 DC H3' 4.490 3.295 4.490 3.840 3.835 3.865 . 0 0 "[ . 1 . 2]" 2
156 2 3 DC H1' 2 3 DC H4' 3.080 2.565 3.080 3.043 3.020 3.086 0.006 18 0 "[ . 1 . 2]" 2
157 2 3 DC H1' 2 4 DT H3' 6.910 4.510 6.910 5.306 4.904 5.381 . 0 0 "[ . 1 . 2]" 2
158 2 3 DC H1' 2 4 DT H5'' 4.000 2.635 4.000 4.053 4.024 4.061 0.061 11 0 "[ . 1 . 2]" 2
159 2 3 DC H2'' 2 3 DC H3' 3.450 2.585 3.450 2.760 2.750 2.783 . 0 0 "[ . 1 . 2]" 2
160 2 3 DC H2' 2 3 DC H3' 2.710 2.165 2.710 2.166 2.152 2.175 0.013 18 0 "[ . 1 . 2]" 2
161 2 3 DC H3' 2 3 DC H4' 3.000 2.425 3.000 2.913 2.902 2.929 . 0 0 "[ . 1 . 2]" 2
162 2 3 DC H3' 2 3 DC H5'' 2.720 2.145 2.720 2.518 2.511 2.526 . 0 0 "[ . 1 . 2]" 2
163 2 3 DC H2'' 2 3 DC H5 5.710 4.100 5.710 5.469 5.429 5.643 . 0 0 "[ . 1 . 2]" 2
164 2 3 DC H2' 2 3 DC H5 5.580 3.590 5.580 4.150 4.125 4.246 . 0 0 "[ . 1 . 2]" 2
165 2 3 DC H3' 2 3 DC H5 5.840 4.020 5.840 5.882 5.843 5.895 0.055 7 0 "[ . 1 . 2]" 2
166 2 2 DG H2'' 2 3 DC H5 4.000 2.895 4.000 2.853 2.833 2.872 0.062 7 0 "[ . 1 . 2]" 2
167 2 2 DG H2' 2 3 DC H5 4.200 3.045 4.200 3.789 3.711 3.870 . 0 0 "[ . 1 . 2]" 2
168 2 2 DG H4' 2 3 DC H5 6.520 4.690 6.520 6.559 6.541 6.576 0.056 7 0 "[ . 1 . 2]" 2
169 2 2 DG H2'' 2 3 DC H5' 4.340 3.155 4.340 4.253 4.199 4.289 . 0 0 "[ . 1 . 2]" 2
170 2 3 DC H2' 2 3 DC H5'' 4.830 3.670 4.830 4.120 4.087 4.204 . 0 0 "[ . 1 . 2]" 2
171 2 3 DC H2'' 2 3 DC H6 4.260 2.870 4.260 3.689 3.660 3.796 . 0 0 "[ . 1 . 2]" 2
172 2 3 DC H2' 2 3 DC H6 2.600 2.055 2.600 2.214 2.185 2.285 . 0 0 "[ . 1 . 2]" 2
173 2 3 DC H3' 2 3 DC H6 4.730 3.060 4.730 3.624 3.537 3.646 . 0 0 "[ . 1 . 2]" 2
174 2 3 DC H4' 2 3 DC H6 4.330 3.505 4.330 4.369 4.363 4.374 0.044 7 0 "[ . 1 . 2]" 2
175 2 3 DC H5' 2 3 DC H6 5.680 4.000 5.680 3.967 3.961 3.974 0.039 19 0 "[ . 1 . 2]" 2
176 2 3 DC H5'' 2 3 DC H6 4.500 2.985 4.500 4.393 4.368 4.410 . 0 0 "[ . 1 . 2]" 2
177 2 2 DG H2'' 2 3 DC H6 2.940 2.345 2.940 2.564 2.441 2.655 . 0 0 "[ . 1 . 2]" 2
178 2 2 DG H2' 2 3 DC H6 4.650 2.990 4.650 4.151 4.024 4.248 . 0 0 "[ . 1 . 2]" 2
179 2 2 DG H3' 2 3 DC H6 6.280 3.800 6.280 5.051 4.949 5.114 . 0 0 "[ . 1 . 2]" 2
180 2 2 DG H4' 2 3 DC H6 6.040 4.170 6.040 5.573 5.508 5.626 . 0 0 "[ . 1 . 2]" 2
181 1 7 DC H1' 1 7 DC H2'' 2.600 2.065 2.600 2.315 2.308 2.337 . 0 0 "[ . 1 . 2]" 2
182 1 7 DC H1' 1 7 DC H2' 3.920 2.865 3.920 3.039 3.033 3.054 . 0 0 "[ . 1 . 2]" 2
183 1 7 DC H1' 1 7 DC H3' 4.650 3.345 4.650 3.850 3.847 3.853 . 0 0 "[ . 1 . 2]" 2
184 1 7 DC H1' 1 7 DC H4' 3.140 2.595 3.140 3.154 3.150 3.156 0.016 1 0 "[ . 1 . 2]" 2
185 1 7 DC H2'' 1 7 DC H3' 3.490 2.655 3.490 2.699 2.679 2.706 . 0 0 "[ . 1 . 2]" 2
186 1 7 DC H2' 1 7 DC H3' 2.770 2.245 2.770 2.244 2.237 2.247 0.008 1 0 "[ . 1 . 2]" 2
187 1 7 DC H3' 1 7 DC H4' 2.960 2.385 2.960 2.851 2.835 2.863 . 0 0 "[ . 1 . 2]" 2
188 1 7 DC H3' 1 7 DC H5'' 2.940 2.345 2.940 2.675 2.664 2.707 . 0 0 "[ . 1 . 2]" 2
189 1 7 DC H2'' 1 7 DC H4' 3.860 3.025 3.860 3.899 3.896 3.903 0.043 11 0 "[ . 1 . 2]" 2
190 1 7 DC H2' 1 7 DC H4' 4.690 3.470 4.690 3.797 3.764 3.811 . 0 0 "[ . 1 . 2]" 2
191 1 5 DA H2'' 1 7 DC H5 6.040 4.490 6.040 5.582 5.526 5.645 . 0 0 "[ . 1 . 2]" 2
192 1 7 DC H2'' 1 7 DC H5 5.600 4.080 5.600 5.530 5.433 5.568 . 0 0 "[ . 1 . 2]" 2
193 1 7 DC H2' 1 7 DC H5 5.290 3.760 5.290 4.177 4.096 4.211 . 0 0 "[ . 1 . 2]" 2
194 1 7 DC H5 1 7 DC H5' 5.320 3.730 5.320 5.394 5.384 5.398 0.078 4 0 "[ . 1 . 2]" 2
195 1 6 DG H2'' 1 7 DC H5 3.520 2.875 3.520 2.852 2.845 2.866 0.030 16 0 "[ . 1 . 2]" 2
196 1 6 DG H2' 1 7 DC H5 4.110 3.105 4.110 3.662 3.624 3.680 . 0 0 "[ . 1 . 2]" 2
197 1 6 DG H2'' 1 7 DC H5' 3.890 2.985 3.890 3.485 3.403 3.520 . 0 0 "[ . 1 . 2]" 2
198 1 7 DC H2' 1 7 DC H5'' 4.840 3.530 4.840 4.045 4.010 4.072 . 0 0 "[ . 1 . 2]" 2
199 1 6 DG H2'' 1 7 DC H5'' 4.420 3.220 4.420 4.508 4.467 4.526 0.106 16 0 "[ . 1 . 2]" 2
200 1 7 DC H1' 1 7 DC H6 3.940 3.185 3.940 3.725 3.692 3.741 . 0 0 "[ . 1 . 2]" 2
201 1 7 DC H2'' 1 7 DC H6 4.410 3.140 4.410 3.773 3.669 3.818 . 0 0 "[ . 1 . 2]" 2
202 1 7 DC H2' 1 7 DC H6 2.540 2.015 2.540 2.288 2.175 2.334 . 0 0 "[ . 1 . 2]" 2
203 1 7 DC H3' 1 7 DC H6 4.750 3.140 4.750 3.847 3.830 3.862 . 0 0 "[ . 1 . 2]" 2
204 1 7 DC H4' 1 7 DC H6 4.880 3.640 4.880 4.245 4.239 4.255 . 0 0 "[ . 1 . 2]" 2
205 1 7 DC H5' 1 7 DC H6 4.490 3.345 4.490 3.386 3.378 3.396 . 0 0 "[ . 1 . 2]" 2
206 1 7 DC H5'' 1 7 DC H6 5.100 3.430 5.100 4.213 4.200 4.238 . 0 0 "[ . 1 . 2]" 2
207 1 6 DG H1' 1 7 DC H6 3.570 2.945 3.570 3.233 2.959 3.310 . 0 0 "[ . 1 . 2]" 2
208 1 6 DG H2'' 1 7 DC H6 3.000 2.445 3.000 2.411 2.396 2.418 0.049 9 0 "[ . 1 . 2]" 2
209 1 6 DG H2' 1 7 DC H6 4.010 2.915 4.010 4.083 4.026 4.104 0.094 5 0 "[ . 1 . 2]" 2
210 1 6 DG H3' 1 7 DC H6 5.890 3.870 5.890 4.950 4.918 5.045 . 0 0 "[ . 1 . 2]" 2
211 1 6 DG H4' 1 7 DC H6 6.490 4.400 6.490 5.503 5.029 5.661 . 0 0 "[ . 1 . 2]" 2
212 2 7 DC H1' 2 7 DC H2'' 2.600 2.065 2.600 2.318 2.302 2.352 . 0 0 "[ . 1 . 2]" 2
213 2 7 DC H1' 2 7 DC H2' 3.870 2.885 3.870 3.056 3.044 3.067 . 0 0 "[ . 1 . 2]" 2
214 2 7 DC H1' 2 7 DC H3' 4.670 3.345 4.670 3.849 3.843 3.891 . 0 0 "[ . 1 . 2]" 2
215 2 7 DC H1' 2 7 DC H4' 3.150 2.585 3.150 3.142 3.131 3.175 0.025 3 0 "[ . 1 . 2]" 2
216 2 7 DC H2'' 2 7 DC H3' 3.380 2.635 3.380 2.661 2.639 2.682 . 0 0 "[ . 1 . 2]" 2
217 2 7 DC H2' 2 7 DC H3' 2.770 2.235 2.770 2.237 2.207 2.250 0.028 3 0 "[ . 1 . 2]" 2
218 2 7 DC H3' 2 7 DC H4' 2.960 2.375 2.960 2.819 2.804 2.835 . 0 0 "[ . 1 . 2]" 2
219 2 7 DC H3' 2 7 DC H5'' 2.930 2.335 2.930 2.645 2.617 2.677 . 0 0 "[ . 1 . 2]" 2
220 2 7 DC H2'' 2 7 DC H4' 3.750 2.995 3.750 3.849 3.842 3.852 0.102 9 0 "[ . 1 . 2]" 2
221 2 7 DC H2' 2 7 DC H4' 4.670 3.355 4.670 3.745 3.719 3.782 . 0 0 "[ . 1 . 2]" 2
222 2 5 DA H2'' 2 7 DC H5 6.110 4.440 6.110 5.610 5.549 5.647 . 0 0 "[ . 1 . 2]" 2
223 2 7 DC H2'' 2 7 DC H5 5.670 3.890 5.670 5.533 5.460 5.588 . 0 0 "[ . 1 . 2]" 2
224 2 7 DC H2' 2 7 DC H5 5.430 3.760 5.430 4.198 4.144 4.238 . 0 0 "[ . 1 . 2]" 2
225 2 7 DC H5 2 7 DC H5' 5.340 3.720 5.340 5.401 5.397 5.409 0.069 20 0 "[ . 1 . 2]" 2
226 2 6 DG H2'' 2 7 DC H5 3.490 2.875 3.490 2.865 2.855 2.877 0.020 20 0 "[ . 1 . 2]" 2
227 2 6 DG H2' 2 7 DC H5 4.170 3.145 4.170 3.534 3.500 3.571 . 0 0 "[ . 1 . 2]" 2
228 2 6 DG H2'' 2 7 DC H5' 3.950 2.935 3.950 3.307 3.255 3.406 . 0 0 "[ . 1 . 2]" 2
229 2 7 DC H2' 2 7 DC H5'' 4.860 3.560 4.860 3.964 3.925 4.042 . 0 0 "[ . 1 . 2]" 2
230 2 6 DG H2'' 2 7 DC H5'' 4.290 3.045 4.290 4.366 4.340 4.409 0.119 15 0 "[ . 1 . 2]" 2
231 2 7 DC H1' 2 7 DC H6 3.990 3.165 3.990 3.695 3.676 3.721 . 0 0 "[ . 1 . 2]" 2
232 2 7 DC H2'' 2 7 DC H6 4.320 3.120 4.320 3.639 3.569 3.715 . 0 0 "[ . 1 . 2]" 2
233 2 7 DC H2' 2 7 DC H6 2.550 . 2.550 2.141 2.076 2.216 . 0 0 "[ . 1 . 2]" 2
234 2 7 DC H3' 2 7 DC H6 4.560 3.100 4.560 3.833 3.698 3.847 . 0 0 "[ . 1 . 2]" 2
235 2 7 DC H4' 2 7 DC H6 4.820 3.505 4.820 4.288 4.276 4.312 . 0 0 "[ . 1 . 2]" 2
236 2 7 DC H5' 2 7 DC H6 4.460 3.295 4.460 3.496 3.475 3.522 . 0 0 "[ . 1 . 2]" 2
237 2 7 DC H5'' 2 7 DC H6 5.060 3.420 5.060 4.269 4.239 4.288 . 0 0 "[ . 1 . 2]" 2
238 2 6 DG H1' 2 7 DC H6 3.570 2.935 3.570 3.424 3.213 3.507 . 0 0 "[ . 1 . 2]" 2
239 2 6 DG H2'' 2 7 DC H6 3.010 2.435 3.010 2.375 2.369 2.387 0.066 3 0 "[ . 1 . 2]" 2
240 2 6 DG H2' 2 7 DC H6 3.980 2.815 3.980 4.019 3.985 4.067 0.087 15 0 "[ . 1 . 2]" 2
241 2 6 DG H3' 2 7 DC H6 5.980 3.910 5.980 4.965 4.895 5.038 . 0 0 "[ . 1 . 2]" 2
242 2 6 DG H4' 2 7 DC H6 6.460 4.370 6.460 5.475 5.199 5.721 . 0 0 "[ . 1 . 2]" 2
243 1 2 DG H1' 1 3 DC H5 4.220 3.255 4.220 4.125 4.095 4.221 0.001 11 0 "[ . 1 . 2]" 2
244 1 2 DG H1' 1 3 DC H5' 3.300 2.715 3.300 2.650 2.646 2.653 0.069 11 0 "[ . 1 . 2]" 2
245 1 2 DG H1' 1 3 DC H5'' 4.000 2.825 4.000 4.101 4.096 4.107 0.107 18 0 "[ . 1 . 2]" 2
246 1 2 DG H1' 1 2 DG H2'' 2.700 2.155 2.700 2.477 2.470 2.483 . 0 0 "[ . 1 . 2]" 2
247 1 2 DG H1' 1 2 DG H2' 3.620 2.535 3.620 3.054 3.049 3.057 . 0 0 "[ . 1 . 2]" 2
248 1 2 DG H1' 1 2 DG H3' 4.560 3.355 4.560 3.679 3.665 3.691 . 0 0 "[ . 1 . 2]" 2
249 1 2 DG H1' 1 2 DG H4' 3.340 2.835 3.340 2.897 2.829 2.959 0.006 18 0 "[ . 1 . 2]" 2
250 1 2 DG H1' 1 2 DG H5' 4.270 3.445 4.270 4.361 4.355 4.366 0.096 10 0 "[ . 1 . 2]" 2
251 1 2 DG H2'' 1 3 DC H2' 5.230 3.130 5.230 4.459 4.416 4.496 . 0 0 "[ . 1 . 2]" 2
252 1 1 DC H2'' 1 2 DG H3' 6.200 4.380 6.200 4.418 4.340 4.475 0.040 20 0 "[ . 1 . 2]" 2
253 1 1 DC H2' 1 2 DG H3' 6.660 4.900 6.660 6.099 6.038 6.146 . 0 0 "[ . 1 . 2]" 2
254 1 2 DG H3' 1 3 DC H2' 6.580 4.510 6.580 6.588 6.567 6.636 0.056 11 0 "[ . 1 . 2]" 2
255 1 2 DG H2'' 1 2 DG H3' 2.940 2.305 2.940 2.719 2.695 2.741 . 0 0 "[ . 1 . 2]" 2
256 1 2 DG H2' 1 2 DG H3' 2.760 2.195 2.760 2.333 2.298 2.374 . 0 0 "[ . 1 . 2]" 2
257 1 2 DG H3' 1 2 DG H4' 2.930 2.435 2.930 2.851 2.829 2.876 . 0 0 "[ . 1 . 2]" 2
258 1 2 DG H3' 1 2 DG H5' 4.020 2.755 4.020 3.672 3.645 3.701 . 0 0 "[ . 1 . 2]" 2
259 1 2 DG H3' 1 2 DG H5'' 2.750 2.195 2.750 2.777 2.771 2.784 0.034 16 0 "[ . 1 . 2]" 2
260 1 1 DC H2'' 1 2 DG H4' 5.560 3.800 5.560 4.615 4.579 4.651 . 0 0 "[ . 1 . 2]" 2
261 1 1 DC H2' 1 2 DG H4' 6.890 4.710 6.890 6.298 6.267 6.343 . 0 0 "[ . 1 . 2]" 2
262 1 2 DG H2'' 1 2 DG H4' 4.630 3.455 4.630 4.040 4.021 4.057 . 0 0 "[ . 1 . 2]" 2
263 1 2 DG H2' 1 2 DG H4' 4.040 3.115 4.040 3.694 3.683 3.701 . 0 0 "[ . 1 . 2]" 2
264 1 2 DG H4' 1 2 DG H5' 2.740 2.145 2.740 2.490 2.461 2.516 . 0 0 "[ . 1 . 2]" 2
265 1 2 DG H4' 1 2 DG H5'' 2.690 2.015 2.690 2.341 2.316 2.370 . 0 0 "[ . 1 . 2]" 2
266 1 1 DC H2'' 1 2 DG H5' 3.690 2.825 3.690 2.891 2.786 3.059 0.039 2 0 "[ . 1 . 2]" 2
267 1 1 DC H2' 1 2 DG H5' 5.950 3.940 5.950 4.380 4.270 4.551 . 0 0 "[ . 1 . 2]" 2
268 1 2 DG H2' 1 2 DG H5' 4.400 3.150 4.400 3.775 3.694 3.871 . 0 0 "[ . 1 . 2]" 2
269 1 2 DG H2' 1 2 DG H5'' 4.170 2.960 4.170 3.964 3.921 4.025 . 0 0 "[ . 1 . 2]" 2
270 1 1 DC H1' 1 2 DG H8 5.590 3.970 5.590 3.939 3.925 3.959 0.045 8 0 "[ . 1 . 2]" 2
271 1 1 DC H2'' 1 2 DG H8 3.310 2.715 3.310 2.631 2.613 2.658 0.102 17 0 "[ . 1 . 2]" 2
272 1 1 DC H2' 1 2 DG H8 4.900 3.240 4.900 3.391 3.282 3.476 . 0 0 "[ . 1 . 2]" 2
273 1 1 DC H4' 1 2 DG H8 5.810 4.120 5.810 5.897 5.833 5.941 0.131 15 0 "[ . 1 . 2]" 2
274 1 1 DC H5 1 2 DG H8 6.870 5.180 6.870 5.943 5.898 5.983 . 0 0 "[ . 1 . 2]" 2
275 1 1 DC H6 1 2 DG H8 4.920 3.670 4.920 4.942 4.937 4.945 0.025 5 0 "[ . 1 . 2]" 2
276 1 2 DG H8 1 3 DC H5 4.170 3.435 4.170 3.416 3.410 3.421 0.025 11 0 "[ . 1 . 2]" 2
277 1 2 DG H8 1 3 DC H5' 6.610 4.350 6.610 6.439 6.422 6.459 . 0 0 "[ . 1 . 2]" 2
278 1 2 DG H8 1 3 DC H6 6.150 3.950 6.150 4.605 4.575 4.621 . 0 0 "[ . 1 . 2]" 2
279 1 2 DG H1' 1 2 DG H8 4.810 3.645 4.810 3.844 3.832 3.860 . 0 0 "[ . 1 . 2]" 2
280 1 2 DG H2'' 1 2 DG H8 3.070 2.345 3.070 3.158 3.135 3.180 0.110 11 0 "[ . 1 . 2]" 2
281 1 2 DG H2' 1 2 DG H8 2.690 2.185 2.690 2.174 2.158 2.207 0.027 6 0 "[ . 1 . 2]" 2
282 1 2 DG H3' 1 2 DG H8 5.580 3.920 5.580 4.481 4.422 4.567 . 0 0 "[ . 1 . 2]" 2
283 1 2 DG H4' 1 2 DG H8 5.920 4.430 5.920 5.139 5.065 5.206 . 0 0 "[ . 1 . 2]" 2
284 1 2 DG H5' 1 2 DG H8 5.130 3.820 5.130 4.625 4.458 4.846 . 0 0 "[ . 1 . 2]" 2
285 1 2 DG H5'' 1 2 DG H8 5.780 3.780 5.780 5.496 5.382 5.669 . 0 0 "[ . 1 . 2]" 2
286 2 2 DG H1' 2 3 DC H5 4.230 3.275 4.230 4.154 4.124 4.221 . 0 0 "[ . 1 . 2]" 2
287 2 2 DG H1' 2 3 DC H5' 3.310 2.715 3.310 2.667 2.660 2.672 0.055 18 0 "[ . 1 . 2]" 2
288 2 2 DG H1' 2 3 DC H5'' 4.000 2.815 4.000 4.095 4.092 4.100 0.100 1 0 "[ . 1 . 2]" 2
289 2 2 DG H1' 2 2 DG H2'' 2.700 2.145 2.700 2.483 2.478 2.488 . 0 0 "[ . 1 . 2]" 2
290 2 2 DG H1' 2 2 DG H2' 3.720 2.575 3.720 3.056 3.051 3.061 . 0 0 "[ . 1 . 2]" 2
291 2 2 DG H1' 2 2 DG H3' 4.540 3.355 4.540 3.676 3.664 3.687 . 0 0 "[ . 1 . 2]" 2
292 2 2 DG H1' 2 2 DG H4' 3.350 2.835 3.350 2.880 2.823 2.934 0.012 9 0 "[ . 1 . 2]" 2
293 2 2 DG H1' 2 2 DG H5' 4.290 3.475 4.290 4.374 4.371 4.379 0.089 20 0 "[ . 1 . 2]" 2
294 2 2 DG H2'' 2 3 DC H2' 5.420 3.100 5.420 4.496 4.363 4.588 . 0 0 "[ . 1 . 2]" 2
295 2 1 DC H2'' 2 2 DG H3' 6.440 4.340 6.440 4.393 4.303 4.460 0.037 8 0 "[ . 1 . 2]" 2
296 2 1 DC H2' 2 2 DG H3' 6.700 5.050 6.700 6.070 5.995 6.128 . 0 0 "[ . 1 . 2]" 2
297 2 2 DG H3' 2 3 DC H2' 6.680 4.490 6.680 6.622 6.516 6.722 0.042 18 0 "[ . 1 . 2]" 2
298 2 2 DG H2'' 2 2 DG H3' 2.910 2.295 2.910 2.726 2.701 2.744 . 0 0 "[ . 1 . 2]" 2
299 2 2 DG H2' 2 2 DG H3' 2.770 2.205 2.770 2.334 2.288 2.368 . 0 0 "[ . 1 . 2]" 2
300 2 2 DG H3' 2 2 DG H4' 2.930 2.445 2.930 2.850 2.833 2.872 . 0 0 "[ . 1 . 2]" 2
301 2 2 DG H3' 2 2 DG H5' 4.030 2.755 4.030 3.666 3.646 3.693 . 0 0 "[ . 1 . 2]" 2
302 2 2 DG H3' 2 2 DG H5'' 2.730 2.185 2.730 2.762 2.756 2.769 0.039 19 0 "[ . 1 . 2]" 2
303 2 1 DC H2'' 2 2 DG H4' 5.490 3.810 5.490 4.594 4.563 4.622 . 0 0 "[ . 1 . 2]" 2
304 2 1 DC H2' 2 2 DG H4' 6.710 4.700 6.710 6.277 6.232 6.314 . 0 0 "[ . 1 . 2]" 2
305 2 2 DG H2'' 2 2 DG H4' 4.610 3.455 4.610 4.038 4.025 4.051 . 0 0 "[ . 1 . 2]" 2
306 2 2 DG H2' 2 2 DG H4' 4.050 3.105 4.050 3.682 3.673 3.692 . 0 0 "[ . 1 . 2]" 2
307 2 2 DG H4' 2 2 DG H5' 2.750 2.135 2.750 2.496 2.462 2.517 . 0 0 "[ . 1 . 2]" 2
308 2 2 DG H4' 2 2 DG H5'' 2.710 2.025 2.710 2.342 2.314 2.365 . 0 0 "[ . 1 . 2]" 2
309 2 1 DC H2'' 2 2 DG H5' 3.800 2.815 3.800 2.879 2.775 3.045 0.040 1 0 "[ . 1 . 2]" 2
310 2 1 DC H2' 2 2 DG H5' 6.230 4.050 6.230 4.373 4.259 4.543 . 0 0 "[ . 1 . 2]" 2
311 2 2 DG H2' 2 2 DG H5' 4.380 3.200 4.380 3.771 3.703 3.870 . 0 0 "[ . 1 . 2]" 2
312 2 2 DG H2' 2 2 DG H5'' 4.140 2.895 4.140 3.956 3.911 4.022 . 0 0 "[ . 1 . 2]" 2
313 2 1 DC H1' 2 2 DG H8 5.790 3.990 5.790 3.956 3.941 3.977 0.049 20 0 "[ . 1 . 2]" 2
314 2 1 DC H2'' 2 2 DG H8 3.320 2.715 3.320 2.635 2.613 2.662 0.102 11 0 "[ . 1 . 2]" 2
315 2 1 DC H2' 2 2 DG H8 4.990 3.230 4.990 3.368 3.249 3.456 . 0 0 "[ . 1 . 2]" 2
316 2 1 DC H4' 2 2 DG H8 5.820 4.130 5.820 5.907 5.841 5.951 0.131 5 0 "[ . 1 . 2]" 2
317 2 1 DC H5 2 2 DG H8 6.930 5.250 6.930 5.898 5.861 5.934 . 0 0 "[ . 1 . 2]" 2
318 2 1 DC H6 2 2 DG H8 4.910 3.650 4.910 4.931 4.926 4.937 0.027 8 0 "[ . 1 . 2]" 2
319 2 2 DG H8 2 3 DC H5 4.190 3.445 4.190 3.419 3.415 3.424 0.030 9 0 "[ . 1 . 2]" 2
320 2 2 DG H8 2 3 DC H5' 6.610 4.330 6.610 6.464 6.443 6.485 . 0 0 "[ . 1 . 2]" 2
321 2 2 DG H8 2 3 DC H6 6.020 3.940 6.020 4.633 4.573 4.670 . 0 0 "[ . 1 . 2]" 2
322 2 2 DG H1' 2 2 DG H8 4.830 3.655 4.830 3.847 3.835 3.861 . 0 0 "[ . 1 . 2]" 2
323 2 2 DG H2'' 2 2 DG H8 3.050 2.325 3.050 3.144 3.118 3.166 0.116 1 0 "[ . 1 . 2]" 2
324 2 2 DG H2' 2 2 DG H8 2.710 2.185 2.710 2.173 2.152 2.204 0.033 1 0 "[ . 1 . 2]" 2
325 2 2 DG H3' 2 2 DG H8 5.490 3.880 5.490 4.482 4.403 4.560 . 0 0 "[ . 1 . 2]" 2
326 2 2 DG H4' 2 2 DG H8 5.970 4.450 5.970 5.124 5.062 5.204 . 0 0 "[ . 1 . 2]" 2
327 2 2 DG H5' 2 2 DG H8 5.130 3.780 5.130 4.631 4.466 4.857 . 0 0 "[ . 1 . 2]" 2
328 2 2 DG H5'' 2 2 DG H8 5.760 3.760 5.760 5.498 5.372 5.676 . 0 0 "[ . 1 . 2]" 2
329 1 5 DA H2'' 1 6 DG H1' 6.140 3.380 6.140 4.897 4.757 5.142 . 0 0 "[ . 1 . 2]" 2
330 1 6 DG H1' 1 7 DC H2' 5.590 3.600 5.590 5.128 4.788 5.231 . 0 0 "[ . 1 . 2]" 2
331 1 6 DG H1' 1 7 DC H3' 6.400 4.070 6.400 5.670 5.550 5.692 . 0 0 "[ . 1 . 2]" 2
332 1 6 DG H1' 1 7 DC H4' 4.550 3.505 4.550 4.578 4.548 4.594 0.044 7 0 "[ . 1 . 2]" 2
333 1 6 DG H1' 1 7 DC H5 4.560 3.280 4.560 4.163 3.867 4.241 . 0 0 "[ . 1 . 2]" 2
334 1 6 DG H1' 1 7 DC H5' 3.350 2.685 3.350 2.598 2.584 2.638 0.101 7 0 "[ . 1 . 2]" 2
335 1 6 DG H1' 1 7 DC H5'' 5.800 3.470 5.800 4.273 4.246 4.332 . 0 0 "[ . 1 . 2]" 2
336 1 6 DG H1' 1 6 DG H2'' 2.690 2.175 2.690 2.448 2.350 2.475 . 0 0 "[ . 1 . 2]" 2
337 1 6 DG H1' 1 6 DG H2' 3.680 2.565 3.680 3.009 2.994 3.016 . 0 0 "[ . 1 . 2]" 2
338 1 6 DG H1' 1 6 DG H3' 4.710 3.475 4.710 3.744 3.729 3.779 . 0 0 "[ . 1 . 2]" 2
339 1 6 DG H1' 1 6 DG H4' 3.200 2.715 3.200 2.779 2.601 2.852 0.114 1 0 "[ . 1 . 2]" 2
340 1 5 DA H2'' 1 6 DG H3' 4.330 3.345 4.330 4.297 4.193 4.382 0.052 19 0 "[ . 1 . 2]" 2
341 1 6 DG H3' 1 7 DC H2' 6.450 4.180 6.450 6.497 6.487 6.525 0.075 1 0 "[ . 1 . 2]" 2
342 1 6 DG H2'' 1 6 DG H3' 2.990 2.345 2.990 2.679 2.659 2.747 . 0 0 "[ . 1 . 2]" 2
343 1 6 DG H2' 1 6 DG H3' 2.680 2.165 2.680 2.325 2.195 2.380 . 0 0 "[ . 1 . 2]" 2
344 1 6 DG H3' 1 6 DG H4' 2.940 2.455 2.940 2.923 2.901 2.975 0.035 9 0 "[ . 1 . 2]" 2
345 1 5 DA H2'' 1 6 DG H4' 5.530 4.170 5.530 5.025 4.777 5.554 0.024 1 0 "[ . 1 . 2]" 2
346 1 6 DG H2'' 1 6 DG H4' 4.420 3.345 4.420 3.875 3.640 3.948 . 0 0 "[ . 1 . 2]" 2
347 1 6 DG H2' 1 6 DG H4' 4.690 3.435 4.690 3.713 3.694 3.748 . 0 0 "[ . 1 . 2]" 2
348 1 5 DA H1' 1 6 DG H8 4.040 3.225 4.040 3.369 3.222 3.439 0.003 14 0 "[ . 1 . 2]" 2
349 1 5 DA H2'' 1 6 DG H8 3.150 2.350 3.150 2.293 2.268 2.305 0.082 1 0 "[ . 1 . 2]" 2
350 1 5 DA H2' 1 6 DG H8 4.070 2.815 4.070 3.260 3.037 3.684 . 0 0 "[ . 1 . 2]" 2
351 1 5 DA H3' 1 6 DG H8 6.530 4.410 6.530 4.817 4.780 4.914 . 0 0 "[ . 1 . 2]" 2
352 1 5 DA H4' 1 6 DG H8 6.640 4.830 6.640 5.862 5.801 5.979 . 0 0 "[ . 1 . 2]" 2
353 1 6 DG H8 1 7 DC H5 4.190 3.525 4.190 3.496 3.490 3.503 0.035 1 0 "[ . 1 . 2]" 2
354 1 6 DG H8 1 7 DC H6 6.900 4.870 6.900 4.840 4.824 4.865 0.046 6 0 "[ . 1 . 2]" 2
355 1 6 DG H1' 1 6 DG H8 4.530 3.435 4.530 3.907 3.857 3.928 . 0 0 "[ . 1 . 2]" 2
356 1 6 DG H2'' 1 6 DG H8 4.240 2.940 4.240 3.440 3.417 3.489 . 0 0 "[ . 1 . 2]" 2
357 1 6 DG H2' 1 6 DG H8 2.660 2.115 2.660 2.266 2.240 2.342 . 0 0 "[ . 1 . 2]" 2
358 1 6 DG H3' 1 6 DG H8 5.480 3.930 5.480 4.552 4.415 4.619 . 0 0 "[ . 1 . 2]" 2
359 1 6 DG H4' 1 6 DG H8 5.660 4.190 5.660 5.283 5.256 5.299 . 0 0 "[ . 1 . 2]" 2
360 2 5 DA H2'' 2 6 DG H1' 6.320 3.350 6.320 5.146 5.043 5.271 . 0 0 "[ . 1 . 2]" 2
361 2 6 DG H1' 2 7 DC H2' 5.600 3.640 5.600 5.094 4.858 5.210 . 0 0 "[ . 1 . 2]" 2
362 2 6 DG H1' 2 7 DC H3' 6.670 4.090 6.670 5.698 5.620 5.744 . 0 0 "[ . 1 . 2]" 2
363 2 6 DG H1' 2 7 DC H4' 4.540 3.515 4.540 4.565 4.541 4.583 0.043 8 0 "[ . 1 . 2]" 2
364 2 6 DG H1' 2 7 DC H5 4.550 3.270 4.550 4.190 3.980 4.272 . 0 0 "[ . 1 . 2]" 2
365 2 6 DG H1' 2 7 DC H5' 3.350 2.675 3.350 2.604 2.571 2.628 0.104 8 0 "[ . 1 . 2]" 2
366 2 6 DG H1' 2 7 DC H5'' 6.480 3.460 6.480 4.302 4.235 4.336 . 0 0 "[ . 1 . 2]" 2
367 2 6 DG H1' 2 6 DG H2'' 2.700 2.145 2.700 2.419 2.341 2.465 . 0 0 "[ . 1 . 2]" 2
368 2 6 DG H1' 2 6 DG H2' 3.710 2.615 3.710 3.006 2.998 3.020 . 0 0 "[ . 1 . 2]" 2
369 2 6 DG H1' 2 6 DG H3' 4.720 3.455 4.720 3.762 3.742 3.781 . 0 0 "[ . 1 . 2]" 2
370 2 6 DG H1' 2 6 DG H4' 3.200 2.705 3.200 2.666 2.594 2.825 0.111 6 0 "[ . 1 . 2]" 2
371 2 5 DA H2'' 2 6 DG H3' 4.410 3.215 4.410 4.449 4.417 4.467 0.057 3 0 "[ . 1 . 2]" 2
372 2 6 DG H3' 2 7 DC H2' 6.270 4.180 6.270 6.355 6.330 6.385 0.115 3 0 "[ . 1 . 2]" 2
373 2 6 DG H2'' 2 6 DG H3' 2.950 2.315 2.950 2.687 2.640 2.732 . 0 0 "[ . 1 . 2]" 2
374 2 6 DG H2' 2 6 DG H3' 2.680 2.135 2.680 2.223 2.160 2.334 . 0 0 "[ . 1 . 2]" 2
375 2 6 DG H3' 2 6 DG H4' 2.940 2.445 2.940 2.964 2.925 2.982 0.042 3 0 "[ . 1 . 2]" 2
376 2 5 DA H2'' 2 6 DG H4' 6.290 4.330 6.290 5.421 5.107 5.716 . 0 0 "[ . 1 . 2]" 2
377 2 6 DG H2'' 2 6 DG H4' 4.440 3.325 4.440 3.745 3.593 3.911 . 0 0 "[ . 1 . 2]" 2
378 2 6 DG H2' 2 6 DG H4' 4.670 3.465 4.670 3.732 3.704 3.759 . 0 0 "[ . 1 . 2]" 2
379 2 5 DA H1' 2 6 DG H8 4.130 3.235 4.130 3.234 3.206 3.303 0.029 11 0 "[ . 1 . 2]" 2
380 2 5 DA H2'' 2 6 DG H8 3.150 2.350 3.150 2.287 2.278 2.302 0.072 18 0 "[ . 1 . 2]" 2
381 2 5 DA H2' 2 6 DG H8 3.760 2.805 3.760 3.579 3.298 3.762 0.002 18 0 "[ . 1 . 2]" 2
382 2 5 DA H3' 2 6 DG H8 6.330 4.320 6.330 4.872 4.839 4.909 . 0 0 "[ . 1 . 2]" 2
383 2 5 DA H4' 2 6 DG H8 6.600 4.860 6.600 5.858 5.726 5.949 . 0 0 "[ . 1 . 2]" 2
384 2 6 DG H8 2 7 DC H5 4.170 3.515 4.170 3.497 3.489 3.505 0.026 6 0 "[ . 1 . 2]" 2
385 2 6 DG H8 2 7 DC H6 6.960 4.980 6.960 4.946 4.925 4.958 0.055 1 0 "[ . 1 . 2]" 2
386 2 6 DG H1' 2 6 DG H8 4.520 3.445 4.520 3.915 3.882 3.932 . 0 0 "[ . 1 . 2]" 2
387 2 6 DG H2'' 2 6 DG H8 4.190 2.880 4.190 3.538 3.511 3.567 . 0 0 "[ . 1 . 2]" 2
388 2 6 DG H2' 2 6 DG H8 2.660 2.115 2.660 2.317 2.274 2.365 . 0 0 "[ . 1 . 2]" 2
389 2 6 DG H3' 2 6 DG H8 5.630 3.970 5.630 4.451 4.357 4.586 . 0 0 "[ . 1 . 2]" 2
390 2 6 DG H4' 2 6 DG H8 5.720 4.210 5.720 5.284 5.243 5.313 . 0 0 "[ . 1 . 2]" 2
391 1 8 DG H1' 1 8 DG H2'' 2.620 2.105 2.620 2.419 2.417 2.421 . 0 0 "[ . 1 . 2]" 2
392 1 8 DG H1' 1 8 DG H2' 4.210 2.965 4.210 3.035 3.034 3.036 . 0 0 "[ . 1 . 2]" 2
393 1 8 DG H1' 1 8 DG H3' 4.410 3.595 4.410 3.717 3.711 3.727 . 0 0 "[ . 1 . 2]" 2
394 1 8 DG H1' 1 8 DG H4' 3.470 2.905 3.470 2.883 2.880 2.887 0.025 3 0 "[ . 1 . 2]" 2
395 1 8 DG H2'' 1 8 DG H3' 3.670 2.765 3.670 2.747 2.746 2.750 0.019 10 0 "[ . 1 . 2]" 2
396 1 8 DG H2' 1 8 DG H3' 2.850 2.315 2.850 2.325 2.322 2.327 . 0 0 "[ . 1 . 2]" 2
397 1 8 DG H3' 1 8 DG H4' 3.170 2.435 3.170 2.863 2.859 2.866 . 0 0 "[ . 1 . 2]" 2
398 1 8 DG H2'' 1 8 DG H4' 4.440 3.255 4.440 3.980 3.972 3.986 . 0 0 "[ . 1 . 2]" 2
399 1 8 DG H2' 1 8 DG H4' 3.750 2.965 3.750 3.780 3.779 3.781 0.031 9 0 "[ . 1 . 2]" 2
400 1 7 DC H1' 1 8 DG H8 5.300 3.880 5.300 4.383 4.355 4.445 . 0 0 "[ . 1 . 2]" 2
401 1 7 DC H2'' 1 8 DG H8 3.340 2.745 3.340 2.681 2.676 2.685 0.069 13 0 "[ . 1 . 2]" 2
402 1 7 DC H2' 1 8 DG H8 3.660 2.845 3.660 3.037 3.000 3.138 . 0 0 "[ . 1 . 2]" 2
403 1 7 DC H3' 1 8 DG H8 4.670 3.565 4.670 4.729 4.726 4.739 0.069 1 0 "[ . 1 . 2]" 2
404 1 7 DC H5 1 8 DG H8 6.660 5.040 6.660 5.275 5.254 5.331 . 0 0 "[ . 1 . 2]" 2
405 1 7 DC H6 1 8 DG H8 6.570 4.560 6.570 4.561 4.550 4.614 0.010 11 0 "[ . 1 . 2]" 2
406 1 8 DG H1' 1 8 DG H8 4.530 3.310 4.530 3.899 3.895 3.904 . 0 0 "[ . 1 . 2]" 2
407 1 8 DG H2'' 1 8 DG H8 4.460 3.165 4.460 3.485 3.456 3.515 . 0 0 "[ . 1 . 2]" 2
408 1 8 DG H2' 1 8 DG H8 2.590 2.025 2.590 2.336 2.326 2.345 . 0 0 "[ . 1 . 2]" 2
409 1 8 DG H3' 1 8 DG H8 4.540 3.355 4.540 4.574 4.568 4.578 0.038 10 0 "[ . 1 . 2]" 2
410 1 8 DG H4' 1 8 DG H8 5.550 3.830 5.550 5.239 5.229 5.252 . 0 0 "[ . 1 . 2]" 2
411 2 8 DG H1' 2 8 DG H2'' 2.630 2.105 2.630 2.423 2.421 2.425 . 0 0 "[ . 1 . 2]" 2
412 2 8 DG H1' 2 8 DG H2' 4.150 2.985 4.150 3.035 3.033 3.037 . 0 0 "[ . 1 . 2]" 2
413 2 8 DG H1' 2 8 DG H3' 4.420 3.575 4.420 3.708 3.698 3.720 . 0 0 "[ . 1 . 2]" 2
414 2 8 DG H1' 2 8 DG H4' 3.460 2.895 3.460 2.881 2.874 2.884 0.021 3 0 "[ . 1 . 2]" 2
415 2 8 DG H2'' 2 8 DG H3' 3.720 2.775 3.720 2.756 2.754 2.759 0.021 8 0 "[ . 1 . 2]" 2
416 2 8 DG H2' 2 8 DG H3' 2.850 2.305 2.850 2.353 2.330 2.358 . 0 0 "[ . 1 . 2]" 2
417 2 8 DG H3' 2 8 DG H4' 3.170 2.445 3.170 2.848 2.845 2.856 . 0 0 "[ . 1 . 2]" 2
418 2 8 DG H2'' 2 8 DG H4' 4.410 3.225 4.410 3.991 3.974 3.998 . 0 0 "[ . 1 . 2]" 2
419 2 8 DG H2' 2 8 DG H4' 3.740 2.965 3.740 3.770 3.769 3.776 0.036 3 0 "[ . 1 . 2]" 2
420 2 7 DC H1' 2 8 DG H8 5.270 3.860 5.270 4.296 4.242 4.330 . 0 0 "[ . 1 . 2]" 2
421 2 7 DC H2'' 2 8 DG H8 3.340 2.735 3.340 2.678 2.670 2.686 0.065 18 0 "[ . 1 . 2]" 2
422 2 7 DC H2' 2 8 DG H8 3.600 2.835 3.600 3.151 3.073 3.233 . 0 0 "[ . 1 . 2]" 2
423 2 7 DC H3' 2 8 DG H8 4.750 3.555 4.750 4.808 4.800 4.818 0.068 18 0 "[ . 1 . 2]" 2
424 2 7 DC H5 2 8 DG H8 6.620 5.020 6.620 5.317 5.282 5.342 . 0 0 "[ . 1 . 2]" 2
425 2 7 DC H6 2 8 DG H8 6.560 4.440 6.560 4.428 4.415 4.439 0.025 3 0 "[ . 1 . 2]" 2
426 2 8 DG H1' 2 8 DG H8 4.500 3.175 4.500 3.897 3.815 3.910 . 0 0 "[ . 1 . 2]" 2
427 2 8 DG H2'' 2 8 DG H8 4.450 3.175 4.450 3.454 3.167 3.504 0.008 3 0 "[ . 1 . 2]" 2
428 2 8 DG H2' 2 8 DG H8 2.590 2.015 2.590 2.355 2.321 2.367 . 0 0 "[ . 1 . 2]" 2
429 2 8 DG H3' 2 8 DG H8 4.620 3.385 4.620 4.639 4.632 4.644 0.024 3 0 "[ . 1 . 2]" 2
430 2 8 DG H4' 2 8 DG H8 5.540 3.880 5.540 5.271 5.248 5.455 . 0 0 "[ . 1 . 2]" 2
431 1 4 DT H1' 1 5 DA H2'' 6.650 4.470 6.650 6.178 5.873 6.238 . 0 0 "[ . 1 . 2]" 2
432 1 4 DT H1' 1 5 DA H2' 5.100 3.805 5.100 5.047 4.529 5.116 0.016 18 0 "[ . 1 . 2]" 2
433 1 4 DT H1' 1 5 DA H3' 6.850 4.470 6.850 5.753 5.435 6.126 . 0 0 "[ . 1 . 2]" 2
434 1 4 DT H1' 1 5 DA H4' 5.140 3.895 5.140 4.473 4.306 4.696 . 0 0 "[ . 1 . 2]" 2
435 1 4 DT H1' 1 4 DT H2'' 2.610 2.085 2.610 2.294 2.251 2.368 . 0 0 "[ . 1 . 2]" 2
436 1 4 DT H1' 1 4 DT H2' 4.230 2.950 4.230 3.017 3.004 3.039 . 0 0 "[ . 1 . 2]" 2
437 1 4 DT H1' 1 4 DT H3' 5.150 3.790 5.150 3.822 3.780 3.837 0.010 1 0 "[ . 1 . 2]" 2
438 1 4 DT H2'' 1 4 DT H3' 3.210 2.445 3.210 2.806 2.748 2.873 . 0 0 "[ . 1 . 2]" 2
439 1 4 DT H2' 1 4 DT H3' 2.670 2.115 2.670 2.303 2.218 2.326 . 0 0 "[ . 1 . 2]" 2
440 1 4 DT H3' 1 4 DT H4' 2.810 2.275 2.810 2.852 2.820 2.885 0.075 11 0 "[ . 1 . 2]" 2
441 1 4 DT H3' 1 4 DT H5'' 2.640 2.085 2.640 2.640 2.612 2.647 0.007 3 0 "[ . 1 . 2]" 2
442 1 3 DC H2'' 1 4 DT H5' 3.420 2.235 3.420 2.883 2.822 3.462 0.042 11 0 "[ . 1 . 2]" 2
443 1 4 DT H2' 1 4 DT H5'' 4.400 3.140 4.400 4.338 4.052 4.453 0.053 11 0 "[ . 1 . 2]" 2
444 1 3 DC H1' 1 4 DT H6 4.220 3.135 4.220 4.053 3.960 4.079 . 0 0 "[ . 1 . 2]" 2
445 1 3 DC H2'' 1 4 DT H6 2.910 2.295 2.910 2.279 2.269 2.283 0.026 1 0 "[ . 1 . 2]" 2
446 1 3 DC H2' 1 4 DT H6 3.560 2.535 3.560 3.283 3.118 3.324 . 0 0 "[ . 1 . 2]" 2
447 1 3 DC H3' 1 4 DT H6 5.690 3.310 5.690 4.680 4.624 4.715 . 0 0 "[ . 1 . 2]" 2
448 1 4 DT H1' 1 4 DT H6 3.780 3.025 3.780 3.742 3.735 3.745 . 0 0 "[ . 1 . 2]" 2
449 1 4 DT H2'' 1 4 DT H6 4.440 3.090 4.440 3.657 3.459 3.744 . 0 0 "[ . 1 . 2]" 2
450 1 4 DT H2' 1 4 DT H6 2.380 . 2.380 2.222 2.125 2.285 . 0 0 "[ . 1 . 2]" 2
451 1 4 DT H3' 1 4 DT H6 4.670 3.330 4.670 3.944 3.819 4.188 . 0 0 "[ . 1 . 2]" 2
452 1 4 DT H4' 1 4 DT H6 4.840 3.565 4.840 4.692 4.640 4.828 . 0 0 "[ . 1 . 2]" 2
453 1 4 DT H5' 1 4 DT H6 6.060 4.270 6.060 4.275 4.246 4.716 0.024 6 0 "[ . 1 . 2]" 2
454 2 4 DT H1' 2 5 DA H2'' 6.710 4.530 6.710 6.051 5.929 6.185 . 0 0 "[ . 1 . 2]" 2
455 2 4 DT H1' 2 5 DA H2' 5.010 3.745 5.010 4.791 4.595 5.015 0.005 11 0 "[ . 1 . 2]" 2
456 2 4 DT H1' 2 5 DA H3' 6.970 4.520 6.970 5.787 5.385 6.156 . 0 0 "[ . 1 . 2]" 2
457 2 4 DT H1' 2 5 DA H4' 5.140 3.885 5.140 4.498 4.286 4.730 . 0 0 "[ . 1 . 2]" 2
458 2 4 DT H1' 2 4 DT H2'' 2.620 2.105 2.620 2.303 2.274 2.404 . 0 0 "[ . 1 . 2]" 2
459 2 4 DT H1' 2 4 DT H2' 4.180 2.940 4.180 3.011 3.000 3.030 . 0 0 "[ . 1 . 2]" 2
460 2 4 DT H1' 2 4 DT H3' 5.200 3.830 5.200 3.837 3.794 3.861 0.036 7 0 "[ . 1 . 2]" 2
461 2 4 DT H2'' 2 4 DT H3' 3.230 2.415 3.230 2.807 2.716 2.858 . 0 0 "[ . 1 . 2]" 2
462 2 4 DT H2' 2 4 DT H3' 2.670 2.115 2.670 2.303 2.240 2.344 . 0 0 "[ . 1 . 2]" 2
463 2 4 DT H3' 2 4 DT H4' 2.800 2.275 2.800 2.846 2.803 2.876 0.076 3 0 "[ . 1 . 2]" 2
464 2 4 DT H3' 2 4 DT H5'' 2.640 2.085 2.640 2.636 2.529 2.653 0.013 6 0 "[ . 1 . 2]" 2
465 2 3 DC H2'' 2 4 DT H5' 3.430 2.375 3.430 2.851 2.742 3.468 0.038 18 0 "[ . 1 . 2]" 2
466 2 4 DT H2' 2 4 DT H5'' 4.360 3.130 4.360 4.358 3.937 4.415 0.055 3 0 "[ . 1 . 2]" 2
467 2 3 DC H1' 2 4 DT H6 4.370 3.125 4.370 4.026 3.973 4.052 . 0 0 "[ . 1 . 2]" 2
468 2 3 DC H2'' 2 4 DT H6 2.910 2.275 2.910 2.254 2.239 2.258 0.036 7 0 "[ . 1 . 2]" 2
469 2 3 DC H2' 2 4 DT H6 3.620 2.555 3.620 3.230 3.009 3.358 . 0 0 "[ . 1 . 2]" 2
470 2 3 DC H3' 2 4 DT H6 5.810 3.600 5.810 4.656 4.586 4.735 . 0 0 "[ . 1 . 2]" 2
471 2 4 DT H1' 2 4 DT H6 3.810 3.025 3.810 3.735 3.731 3.742 . 0 0 "[ . 1 . 2]" 2
472 2 4 DT H2'' 2 4 DT H6 4.870 2.970 4.870 3.652 3.531 3.719 . 0 0 "[ . 1 . 2]" 2
473 2 4 DT H2' 2 4 DT H6 2.380 . 2.380 2.236 2.163 2.295 . 0 0 "[ . 1 . 2]" 2
474 2 4 DT H3' 2 4 DT H6 4.680 3.310 4.680 3.901 3.823 4.203 . 0 0 "[ . 1 . 2]" 2
475 2 4 DT H4' 2 4 DT H6 4.850 3.585 4.850 4.657 4.603 4.795 . 0 0 "[ . 1 . 2]" 2
476 2 4 DT H5' 2 4 DT H6 5.920 4.140 5.920 4.218 4.133 4.769 0.007 1 0 "[ . 1 . 2]" 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 22
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 11.162
_Distance_constraint_stats_list.Viol_max 0.028
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0136
_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 DC 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 DC 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 DT 0.293 0.028 11 0 "[ . 1 . 2]"
1 5 DA 0.265 0.024 19 0 "[ . 1 . 2]"
1 6 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 DC 0.001 0.001 1 0 "[ . 1 . 2]"
1 8 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 DG 0.001 0.001 1 0 "[ . 1 . 2]"
2 3 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 DT 0.265 0.024 19 0 "[ . 1 . 2]"
2 5 DA 0.293 0.028 11 0 "[ . 1 . 2]"
2 6 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DG 0.000 0.000 . 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 DC O2 2 8 DG H21 . . 2.100 1.951 1.926 1.988 . 0 0 "[ . 1 . 2]" 3
2 1 1 DC N3 2 8 DG H1 . . 2.100 1.999 1.985 2.011 . 0 0 "[ . 1 . 2]" 3
3 1 1 DC H41 2 8 DG O6 . . 2.100 2.026 2.009 2.042 . 0 0 "[ . 1 . 2]" 3
4 1 2 DG H21 2 7 DC O2 . . 2.100 2.025 1.984 2.100 . 0 0 "[ . 1 . 2]" 3
5 1 2 DG H1 2 7 DC N3 . . 2.100 1.978 1.963 2.001 . 0 0 "[ . 1 . 2]" 3
6 1 2 DG O6 2 7 DC H41 . . 2.100 1.908 1.897 1.925 . 0 0 "[ . 1 . 2]" 3
7 1 3 DC O2 2 6 DG H21 . . 2.100 1.963 1.931 1.976 . 0 0 "[ . 1 . 2]" 3
8 1 3 DC N3 2 6 DG H1 . . 2.100 1.937 1.910 1.975 . 0 0 "[ . 1 . 2]" 3
9 1 3 DC H41 2 6 DG O6 . . 2.100 1.975 1.961 1.996 . 0 0 "[ . 1 . 2]" 3
10 1 4 DT H3 2 5 DA N1 . . 2.100 1.917 1.886 1.948 . 0 0 "[ . 1 . 2]" 3
11 1 4 DT O4 2 5 DA H61 . . 2.100 2.115 2.101 2.128 0.028 11 0 "[ . 1 . 2]" 3
12 1 5 DA N1 2 4 DT H3 . . 2.100 1.911 1.890 1.932 . 0 0 "[ . 1 . 2]" 3
13 1 5 DA H61 2 4 DT O4 . . 2.100 2.113 2.104 2.124 0.024 19 0 "[ . 1 . 2]" 3
14 1 6 DG H21 2 3 DC O2 . . 2.100 1.979 1.936 2.001 . 0 0 "[ . 1 . 2]" 3
15 1 6 DG H1 2 3 DC N3 . . 2.100 1.946 1.919 1.988 . 0 0 "[ . 1 . 2]" 3
16 1 6 DG O6 2 3 DC H41 . . 2.100 1.983 1.968 2.026 . 0 0 "[ . 1 . 2]" 3
17 1 7 DC O2 2 2 DG H21 . . 2.100 2.015 1.994 2.101 0.001 1 0 "[ . 1 . 2]" 3
18 1 7 DC N3 2 2 DG H1 . . 2.100 1.967 1.951 1.992 . 0 0 "[ . 1 . 2]" 3
19 1 7 DC H41 2 2 DG O6 . . 2.100 1.925 1.904 1.938 . 0 0 "[ . 1 . 2]" 3
20 1 8 DG H21 2 1 DC O2 . . 2.100 1.954 1.937 1.978 . 0 0 "[ . 1 . 2]" 3
21 1 8 DG H1 2 1 DC N3 . . 2.100 2.004 1.994 2.014 . 0 0 "[ . 1 . 2]" 3
22 1 8 DG O6 2 1 DC H41 . . 2.100 2.036 2.019 2.056 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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