NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388710 |
1na2   |
5632 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1na2
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 605
_Distance_constraint_stats_list.Viol_count 2057
_Distance_constraint_stats_list.Viol_total 2439.702
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0336
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.0659
_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 10.956 0.281 7 0 "[ . 1 . ]"
1 2 G 10.130 0.281 7 0 "[ . 1 . ]"
1 3 G 6.583 0.179 7 0 "[ . 1 . ]"
1 4 C 9.521 0.179 7 0 "[ . 1 . ]"
1 5 U 4.632 0.095 10 0 "[ . 1 . ]"
1 6 G 6.743 0.109 1 0 "[ . 1 . ]"
1 7 U 9.447 0.301 2 0 "[ . 1 . ]"
1 8 U 7.838 0.254 14 0 "[ . 1 . ]"
1 9 U 1.413 0.095 5 0 "[ . 1 . ]"
1 10 U 1.485 0.068 14 0 "[ . 1 . ]"
1 11 U 7.340 0.136 11 0 "[ . 1 . ]"
1 12 C 8.568 0.137 16 0 "[ . 1 . ]"
1 13 U 6.477 0.154 8 0 "[ . 1 . ]"
1 14 C 6.695 0.130 6 0 "[ . 1 . ]"
1 15 G 7.309 0.140 2 0 "[ . 1 . ]"
1 16 C 6.975 0.100 2 0 "[ . 1 . ]"
1 17 U 11.726 0.280 1 0 "[ . 1 . ]"
1 18 G 10.015 0.280 1 0 "[ . 1 . ]"
1 19 A 6.750 0.197 16 0 "[ . 1 . ]"
1 20 C 11.915 0.172 17 0 "[ . 1 . ]"
1 21 U 8.348 0.131 17 0 "[ . 1 . ]"
1 22 U 8.347 0.254 14 0 "[ . 1 . ]"
1 23 U 12.240 0.301 2 0 "[ . 1 . ]"
1 24 C 4.948 0.176 8 0 "[ . 1 . ]"
1 25 A 12.100 0.164 11 0 "[ . 1 . ]"
1 26 G 11.389 0.188 13 0 "[ . 1 . ]"
1 27 C 9.209 0.206 7 0 "[ . 1 . ]"
1 28 C 7.977 0.206 7 0 "[ . 1 . ]"
1 29 C 5.473 0.113 15 0 "[ . 1 . ]"
1 30 C 6.275 0.113 15 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 C H6 1 15 G H2' 6.000 6.000 15.900 6.386 6.239 6.526 . 0 0 "[ . 1 . ]" 1
2 1 14 C H1' 1 15 G H2' 7.000 7.000 16.900 7.397 7.234 7.707 . 0 0 "[ . 1 . ]" 1
3 1 12 C H5 1 15 G H8 8.000 8.000 17.900 11.794 11.318 12.101 . 0 0 "[ . 1 . ]" 1
4 1 14 C H2' 1 15 G H2' 4.000 4.000 13.900 4.723 4.570 5.049 . 0 0 "[ . 1 . ]" 1
5 1 14 C H3' 1 15 G H2' 5.000 5.000 14.900 5.022 4.986 5.066 0.014 4 0 "[ . 1 . ]" 1
6 1 15 G H8 1 17 U H4' 4.000 4.000 13.900 8.527 8.341 8.729 . 0 0 "[ . 1 . ]" 1
7 1 15 G H8 1 17 U H5 5.000 5.000 14.900 5.896 5.515 6.308 . 0 0 "[ . 1 . ]" 1
8 1 1 G H1 1 29 C H41 2.400 . 4.500 2.444 1.809 3.063 . 0 0 "[ . 1 . ]" 1
9 1 1 G H1 1 29 C H42 2.700 . 4.500 3.947 3.398 4.465 . 0 0 "[ . 1 . ]" 1
10 1 1 G H1 1 30 C H5 3.300 2.500 5.500 5.516 5.341 5.564 0.064 11 0 "[ . 1 . ]" 1
11 1 1 G H1 1 30 C H6 5.500 4.500 6.500 5.532 5.235 5.837 . 0 0 "[ . 1 . ]" 1
12 1 1 G H1' 1 1 G H8 3.500 2.800 4.200 3.838 3.802 3.877 . 0 0 "[ . 1 . ]" 1
13 1 1 G H4' 1 1 G H8 3.500 2.500 4.500 4.003 3.933 4.084 . 0 0 "[ . 1 . ]" 1
14 1 1 G H1' 1 1 G H2' 2.700 2.200 3.200 2.697 2.689 2.709 . 0 0 "[ . 1 . ]" 1
15 1 1 G H1' 1 1 G H3' 3.500 2.800 4.200 3.896 3.876 3.909 . 0 0 "[ . 1 . ]" 1
16 1 1 G H1' 1 2 G H8 2.800 2.500 4.500 4.498 4.327 4.586 0.086 11 0 "[ . 1 . ]" 1
17 1 1 G H2' 1 1 G H8 4.500 3.600 5.400 3.658 3.493 3.832 0.107 11 0 "[ . 1 . ]" 1
18 1 1 G H2' 1 1 G H4' 3.500 2.500 4.500 3.956 3.938 3.962 . 0 0 "[ . 1 . ]" 1
19 1 1 G H2' 1 1 G Q5' 4.500 3.500 5.500 4.507 4.411 4.542 . 0 0 "[ . 1 . ]" 1
20 1 1 G H2' 1 2 G H8 2.300 . 2.800 2.229 2.166 2.435 . 0 0 "[ . 1 . ]" 1
21 1 1 G H2' 1 2 G H1' 4.100 3.300 4.900 3.835 3.306 4.521 . 0 0 "[ . 1 . ]" 1
22 1 1 G H3' 1 1 G H8 3.000 2.400 3.600 2.534 2.365 2.761 0.035 9 0 "[ . 1 . ]" 1
23 1 1 G H2' 1 1 G H3' 3.000 2.500 4.500 2.386 2.380 2.393 0.120 12 0 "[ . 1 . ]" 1
24 1 1 G H3' 1 2 G H8 3.000 2.400 3.600 2.689 2.561 2.824 . 0 0 "[ . 1 . ]" 1
25 1 1 G H3' 1 2 G H1' 4.800 3.800 5.800 5.776 5.566 5.921 0.121 17 0 "[ . 1 . ]" 1
26 1 1 G H1' 1 1 G H4' 3.500 2.500 4.500 3.655 3.602 3.687 . 0 0 "[ . 1 . ]" 1
27 1 1 G Q5' 1 1 G H8 3.400 2.700 4.100 2.806 2.446 2.982 0.254 17 0 "[ . 1 . ]" 1
28 1 1 G H1' 1 1 G Q5' 4.100 3.300 4.900 4.346 4.256 4.451 . 0 0 "[ . 1 . ]" 1
29 1 2 G H1 1 28 C H41 2.300 . 4.500 2.749 2.019 3.143 . 0 0 "[ . 1 . ]" 1
30 1 2 G H1 1 28 C H42 2.600 . 4.500 4.237 3.613 4.550 0.050 17 0 "[ . 1 . ]" 1
31 1 1 G H8 1 2 G H8 4.600 3.700 5.500 3.558 3.523 3.591 0.177 6 0 "[ . 1 . ]" 1
32 1 2 G H4' 1 2 G H8 3.500 2.500 4.500 4.564 4.535 4.589 0.089 14 0 "[ . 1 . ]" 1
33 1 2 G H1' 1 2 G H8 2.800 2.500 4.500 3.782 3.753 3.816 . 0 0 "[ . 1 . ]" 1
34 1 2 G H1' 1 3 G H8 3.800 3.000 4.600 4.366 4.214 4.493 . 0 0 "[ . 1 . ]" 1
35 1 1 G H8 1 2 G H2' 5.400 4.300 6.500 6.697 6.604 6.781 0.281 7 0 "[ . 1 . ]" 1
36 1 2 G H2' 1 2 G H8 3.500 2.500 4.500 3.263 3.152 3.357 . 0 0 "[ . 1 . ]" 1
37 1 2 G H1' 1 2 G H2' 2.500 . 3.000 2.886 2.851 2.912 . 0 0 "[ . 1 . ]" 1
38 1 2 G H2' 1 3 G H8 2.400 . 2.900 2.171 2.135 2.193 . 0 0 "[ . 1 . ]" 1
39 1 2 G H2' 1 3 G H1' 4.000 3.200 4.800 4.868 4.823 4.917 0.117 18 0 "[ . 1 . ]" 1
40 1 1 G H2' 1 2 G H3' 3.500 2.500 4.500 4.026 3.727 4.374 . 0 0 "[ . 1 . ]" 1
41 1 2 G H3' 1 2 G H8 2.900 2.300 3.500 3.406 3.112 3.557 0.057 3 0 "[ . 1 . ]" 1
42 1 2 G H1' 1 2 G H3' 3.500 2.500 4.500 3.951 3.937 3.966 . 0 0 "[ . 1 . ]" 1
43 1 2 G H3' 1 2 G Q5' 3.000 . 3.500 2.840 2.613 2.956 . 0 0 "[ . 1 . ]" 1
44 1 2 G H1' 1 2 G H4' 2.500 . 3.000 2.988 2.905 3.051 0.051 11 0 "[ . 1 . ]" 1
45 1 2 G H4' 1 3 G H8 4.500 3.500 5.500 5.271 5.039 5.478 . 0 0 "[ . 1 . ]" 1
46 1 2 G Q5' 1 2 G H8 3.700 3.000 4.400 3.809 3.625 3.987 . 0 0 "[ . 1 . ]" 1
47 1 2 G H1' 1 2 G Q5' 4.300 3.400 5.200 4.228 4.157 4.308 . 0 0 "[ . 1 . ]" 1
48 1 2 G H1 1 3 G H1 3.600 2.500 4.600 3.939 3.518 4.324 . 0 0 "[ . 1 . ]" 1
49 1 3 G H1 1 27 C H42 2.600 . 4.500 3.368 3.321 3.413 . 0 0 "[ . 1 . ]" 1
50 1 2 G H8 1 3 G H8 4.500 3.600 5.400 5.359 5.232 5.466 0.066 6 0 "[ . 1 . ]" 1
51 1 3 G H8 1 4 C H6 4.600 3.700 5.500 5.621 5.592 5.679 0.179 7 0 "[ . 1 . ]" 1
52 1 2 G H1' 1 3 G H1' 5.500 4.500 6.500 4.937 4.744 5.217 . 0 0 "[ . 1 . ]" 1
53 1 3 G H1' 1 3 G H8 3.900 3.100 4.700 3.740 3.710 3.774 . 0 0 "[ . 1 . ]" 1
54 1 3 G H1' 1 4 C H6 3.800 3.000 4.600 4.595 4.415 4.676 0.076 16 0 "[ . 1 . ]" 1
55 1 3 G H1' 1 3 G H2' 2.300 . 3.500 2.759 2.733 2.791 . 0 0 "[ . 1 . ]" 1
56 1 3 G H2' 1 4 C H5 3.100 2.500 3.700 2.862 2.754 3.001 . 0 0 "[ . 1 . ]" 1
57 1 3 G H3' 1 3 G H8 3.100 2.500 3.700 3.130 3.036 3.278 . 0 0 "[ . 1 . ]" 1
58 1 3 G H1' 1 3 G H3' 3.600 2.500 5.500 3.896 3.863 3.928 . 0 0 "[ . 1 . ]" 1
59 1 3 G H3' 1 4 C H5 3.400 2.700 4.100 3.456 3.287 3.636 . 0 0 "[ . 1 . ]" 1
60 1 3 G H3' 1 4 C H6 2.300 . 3.500 3.577 3.527 3.637 0.137 11 0 "[ . 1 . ]" 1
61 1 3 G H4' 1 3 G H8 4.500 3.600 5.400 4.372 4.338 4.396 . 0 0 "[ . 1 . ]" 1
62 1 3 G H1' 1 3 G H4' 3.300 2.500 4.500 3.319 3.267 3.378 . 0 0 "[ . 1 . ]" 1
63 1 2 G H1' 1 3 G Q5' 4.800 3.800 5.800 4.962 4.871 5.024 . 0 0 "[ . 1 . ]" 1
64 1 3 G Q5' 1 3 G H8 3.300 2.600 4.000 3.638 3.547 3.712 . 0 0 "[ . 1 . ]" 1
65 1 3 G H1' 1 3 G Q5' 4.200 3.400 5.000 4.431 4.404 4.454 . 0 0 "[ . 1 . ]" 1
66 1 3 G H3' 1 3 G Q5' 2.100 . 4.500 2.574 2.455 2.680 . 0 0 "[ . 1 . ]" 1
67 1 3 G H8 1 4 C H5 4.300 3.400 5.200 4.802 4.622 5.080 . 0 0 "[ . 1 . ]" 1
68 1 3 G H1' 1 4 C H5 4.500 3.600 5.400 5.468 5.409 5.502 0.102 12 0 "[ . 1 . ]" 1
69 1 4 C H5 1 4 C H6 2.300 . 3.500 2.442 2.438 2.449 . 0 0 "[ . 1 . ]" 1
70 1 4 C H1' 1 4 C H5 4.000 3.500 6.500 5.386 5.365 5.412 . 0 0 "[ . 1 . ]" 1
71 1 4 C H5 1 5 U H5 3.600 2.900 4.300 4.092 3.584 4.311 0.011 15 0 "[ . 1 . ]" 1
72 1 4 C H5 1 5 U H6 4.800 3.800 5.800 5.427 5.105 5.585 . 0 0 "[ . 1 . ]" 1
73 1 3 G H2' 1 4 C H6 3.000 . 3.500 2.091 2.051 2.139 . 0 0 "[ . 1 . ]" 1
74 1 4 C H4' 1 4 C H6 3.500 2.500 4.500 3.844 3.789 3.886 . 0 0 "[ . 1 . ]" 1
75 1 4 C Q5' 1 4 C H6 3.000 . 3.500 2.887 2.768 3.011 . 0 0 "[ . 1 . ]" 1
76 1 4 C H6 1 5 U H6 4.000 3.200 4.800 4.594 4.304 4.727 . 0 0 "[ . 1 . ]" 1
77 1 3 G H1' 1 4 C H1' 5.400 4.300 6.500 5.487 5.058 5.867 . 0 0 "[ . 1 . ]" 1
78 1 4 C H1' 1 4 C H6 3.300 2.500 4.500 3.671 3.648 3.696 . 0 0 "[ . 1 . ]" 1
79 1 4 C H1' 1 5 U H6 4.500 3.500 5.500 4.807 4.759 4.847 . 0 0 "[ . 1 . ]" 1
80 1 4 C H2' 1 4 C H5 4.300 3.400 5.200 5.075 4.970 5.162 . 0 0 "[ . 1 . ]" 1
81 1 4 C H2' 1 4 C H6 4.000 3.000 5.000 3.555 3.456 3.664 . 0 0 "[ . 1 . ]" 1
82 1 4 C H1' 1 4 C H2' 3.000 2.500 4.500 2.711 2.696 2.725 . 0 0 "[ . 1 . ]" 1
83 1 4 C H3' 1 4 C H5 3.500 2.500 5.500 4.246 4.153 4.440 . 0 0 "[ . 1 . ]" 1
84 1 4 C H3' 1 4 C H6 1.900 . 3.500 2.319 2.191 2.495 . 0 0 "[ . 1 . ]" 1
85 1 4 C H3' 1 5 U H5 3.100 2.500 3.700 3.608 3.498 3.714 0.014 15 0 "[ . 1 . ]" 1
86 1 4 C H5 1 4 C Q5' 4.600 3.700 5.500 4.833 4.690 4.955 . 0 0 "[ . 1 . ]" 1
87 1 4 C H1' 1 4 C Q5' 3.600 2.500 6.500 4.359 4.320 4.419 . 0 0 "[ . 1 . ]" 1
88 1 4 C H5 1 5 U H3 3.600 2.500 5.500 5.128 4.946 5.343 . 0 0 "[ . 1 . ]" 1
89 1 4 C H6 1 5 U H3 5.500 4.500 6.500 6.167 6.035 6.289 . 0 0 "[ . 1 . ]" 1
90 1 5 U H3 1 5 U H6 3.100 2.500 5.500 4.797 4.795 4.799 . 0 0 "[ . 1 . ]" 1
91 1 5 U H3 1 6 G H1 5.100 4.500 6.500 5.952 5.686 6.184 . 0 0 "[ . 1 . ]" 1
92 1 5 U H3 1 25 A H2 2.200 . 4.500 2.108 2.097 2.119 . 0 0 "[ . 1 . ]" 1
93 1 5 U H3 1 26 G H1 2.800 2.500 5.500 3.493 3.227 3.827 . 0 0 "[ . 1 . ]" 1
94 1 4 C H6 1 5 U H5 4.500 3.500 5.500 4.265 3.890 4.426 . 0 0 "[ . 1 . ]" 1
95 1 4 C H1' 1 5 U H5 5.500 4.500 6.000 6.017 5.891 6.065 0.065 10 0 "[ . 1 . ]" 1
96 1 5 U H5 1 5 U H6 2.300 . 2.800 2.421 2.418 2.427 . 0 0 "[ . 1 . ]" 1
97 1 5 U H1' 1 5 U H5 5.500 4.500 6.000 5.370 5.352 5.384 . 0 0 "[ . 1 . ]" 1
98 1 5 U H5 1 6 G H8 4.200 3.400 5.000 4.995 4.844 5.045 0.045 15 0 "[ . 1 . ]" 1
99 1 5 U H2' 1 5 U H6 5.500 3.500 5.500 3.636 3.576 3.747 . 0 0 "[ . 1 . ]" 1
100 1 5 U H4' 1 5 U H6 3.500 2.500 4.500 3.989 3.916 4.061 . 0 0 "[ . 1 . ]" 1
101 1 5 U H1' 1 5 U H6 3.500 2.500 4.500 3.647 3.625 3.665 . 0 0 "[ . 1 . ]" 1
102 1 5 U H1' 1 6 G H8 3.800 3.000 4.600 4.663 4.625 4.694 0.094 13 0 "[ . 1 . ]" 1
103 1 5 U H1' 1 6 G H1' 4.900 3.900 5.900 4.482 4.335 4.681 . 0 0 "[ . 1 . ]" 1
104 1 5 U H1' 1 25 A H2 4.700 3.800 5.600 5.611 5.475 5.645 0.045 5 0 "[ . 1 . ]" 1
105 1 5 U H2' 1 5 U H5 4.700 3.800 5.600 5.129 5.073 5.223 . 0 0 "[ . 1 . ]" 1
106 1 5 U H1' 1 5 U H2' 2.600 2.100 3.100 2.727 2.711 2.748 . 0 0 "[ . 1 . ]" 1
107 1 5 U H2' 1 6 G H8 2.300 . 2.800 2.107 2.086 2.119 . 0 0 "[ . 1 . ]" 1
108 1 5 U H3' 1 5 U H6 3.200 . 3.500 2.470 2.365 2.569 . 0 0 "[ . 1 . ]" 1
109 1 5 U H1' 1 5 U H3' 3.700 3.000 4.400 3.819 3.801 3.841 . 0 0 "[ . 1 . ]" 1
110 1 5 U H2' 1 5 U H3' 1.900 . 3.500 2.392 2.382 2.398 . 0 0 "[ . 1 . ]" 1
111 1 5 U H3' 1 6 G H8 2.500 . 4.500 3.029 2.892 3.168 . 0 0 "[ . 1 . ]" 1
112 1 5 U H2' 1 5 U H4' 3.800 3.500 4.500 3.781 3.760 3.805 . 0 0 "[ . 1 . ]" 1
113 1 5 U H4' 1 6 G H8 3.300 3.100 5.500 5.496 5.428 5.572 0.072 18 0 "[ . 1 . ]" 1
114 1 6 G H1 1 6 G H21 2.400 . 4.500 2.222 2.214 2.227 . 0 0 "[ . 1 . ]" 1
115 1 6 G H1 1 6 G H22 2.300 . 4.500 3.490 3.485 3.495 . 0 0 "[ . 1 . ]" 1
116 1 6 G H1 1 7 U H5 2.800 . 5.500 5.504 5.438 5.537 0.037 13 0 "[ . 1 . ]" 1
117 1 6 G H1 1 23 U H5 3.700 2.500 5.500 5.365 5.240 5.490 . 0 0 "[ . 1 . ]" 1
118 1 6 G H1 1 23 U H6 4.000 3.500 6.500 6.529 6.490 6.573 0.073 10 0 "[ . 1 . ]" 1
119 1 6 G H1 1 24 C H41 2.300 . 4.500 1.773 1.755 1.800 0.045 3 0 "[ . 1 . ]" 1
120 1 6 G H1 1 24 C H42 2.700 . 4.500 3.375 3.345 3.409 . 0 0 "[ . 1 . ]" 1
121 1 6 G H1 1 25 A H2 3.900 3.500 6.500 5.492 5.204 5.719 . 0 0 "[ . 1 . ]" 1
122 1 5 U H6 1 6 G H8 3.900 3.100 4.700 4.314 4.164 4.367 . 0 0 "[ . 1 . ]" 1
123 1 6 G H2' 1 6 G H8 3.500 2.500 4.500 4.082 4.032 4.145 . 0 0 "[ . 1 . ]" 1
124 1 5 U H5 1 6 G H1' 5.500 4.500 7.000 7.025 6.979 7.054 0.054 7 0 "[ . 1 . ]" 1
125 1 6 G H1' 1 6 G H8 3.600 2.900 4.300 3.665 3.641 3.683 . 0 0 "[ . 1 . ]" 1
126 1 6 G H1' 1 7 U H6 4.500 3.500 5.500 4.877 4.858 4.905 . 0 0 "[ . 1 . ]" 1
127 1 6 G H1' 1 7 U H1' 5.000 4.000 6.000 6.085 6.053 6.109 0.109 1 0 "[ . 1 . ]" 1
128 1 6 G H1' 1 25 A H2 4.900 3.900 5.900 3.854 3.814 3.877 0.086 1 0 "[ . 1 . ]" 1
129 1 6 G H3' 1 6 G H8 2.800 2.200 3.400 3.386 3.313 3.419 0.019 8 0 "[ . 1 . ]" 1
130 1 6 G H1' 1 6 G H3' 4.000 3.500 5.500 3.850 3.831 3.864 . 0 0 "[ . 1 . ]" 1
131 1 6 G H3' 1 7 U H1' 5.200 4.200 6.200 6.182 6.113 6.231 0.031 12 0 "[ . 1 . ]" 1
132 1 6 G Q5' 1 6 G H8 3.700 3.000 4.400 3.818 3.761 3.968 . 0 0 "[ . 1 . ]" 1
133 1 6 G H4' 1 6 G Q5' 2.100 . 4.500 2.193 2.183 2.197 . 0 0 "[ . 1 . ]" 1
134 1 6 G H1 1 7 U H3 2.900 2.500 5.500 2.473 2.445 2.515 0.055 8 0 "[ . 1 . ]" 1
135 1 6 G H22 1 7 U H3 3.700 2.500 5.500 4.955 4.868 5.023 . 0 0 "[ . 1 . ]" 1
136 1 7 U H3 1 7 U H6 3.800 3.500 6.500 4.798 4.795 4.801 . 0 0 "[ . 1 . ]" 1
137 1 7 U H1' 1 7 U H3 3.100 2.500 5.500 4.496 4.485 4.510 . 0 0 "[ . 1 . ]" 1
138 1 7 U H3 1 8 U H3 2.200 . 4.500 4.340 3.911 4.569 0.069 6 0 "[ . 1 . ]" 1
139 1 7 U H3 1 24 C H41 3.000 2.500 5.500 2.906 2.794 3.128 . 0 0 "[ . 1 . ]" 1
140 1 7 U H3 1 24 C H42 3.300 2.500 5.500 4.060 3.917 4.240 . 0 0 "[ . 1 . ]" 1
141 1 6 G H8 1 7 U H5 3.500 2.500 4.500 3.862 3.786 3.958 . 0 0 "[ . 1 . ]" 1
142 1 6 G H1' 1 7 U H5 4.600 3.700 5.500 5.355 5.281 5.445 . 0 0 "[ . 1 . ]" 1
143 1 6 G H3' 1 7 U H5 3.100 2.500 3.700 2.969 2.685 3.136 . 0 0 "[ . 1 . ]" 1
144 1 7 U H5 1 7 U H6 2.100 . 3.500 2.421 2.419 2.423 . 0 0 "[ . 1 . ]" 1
145 1 7 U H3' 1 7 U H5 3.600 2.900 4.300 4.241 4.173 4.294 . 0 0 "[ . 1 . ]" 1
146 1 7 U H5 1 7 U Q5' 4.800 3.800 5.800 4.877 4.669 4.985 . 0 0 "[ . 1 . ]" 1
147 1 7 U H5 1 8 U H5 3.700 3.000 4.400 3.872 3.140 4.102 . 0 0 "[ . 1 . ]" 1
148 1 6 G H8 1 7 U H6 4.400 3.500 6.500 5.130 5.036 5.290 . 0 0 "[ . 1 . ]" 1
149 1 6 G H3' 1 7 U H6 3.500 2.500 4.500 2.864 2.774 2.931 . 0 0 "[ . 1 . ]" 1
150 1 7 U H1' 1 7 U H6 3.500 2.800 4.200 3.688 3.678 3.692 . 0 0 "[ . 1 . ]" 1
151 1 7 U H6 1 8 U H6 4.200 3.400 5.000 4.919 4.435 5.042 0.042 15 0 "[ . 1 . ]" 1
152 1 7 U H1' 1 8 U H6 3.800 3.000 4.600 4.659 4.604 4.692 0.092 1 0 "[ . 1 . ]" 1
153 1 7 U H1' 1 8 U H1' 5.500 4.500 6.000 6.045 6.012 6.070 0.070 7 0 "[ . 1 . ]" 1
154 1 7 U H2' 1 7 U H5 4.500 3.500 5.500 4.854 4.784 4.973 . 0 0 "[ . 1 . ]" 1
155 1 7 U H2' 1 7 U H6 4.000 3.200 4.800 3.322 3.255 3.437 . 0 0 "[ . 1 . ]" 1
156 1 7 U H1' 1 7 U H2' 2.700 2.200 3.200 2.725 2.699 2.744 . 0 0 "[ . 1 . ]" 1
157 1 7 U H2' 1 7 U H3' 3.000 . 3.500 2.364 2.355 2.386 . 0 0 "[ . 1 . ]" 1
158 1 7 U H2' 1 8 U H5 3.000 2.500 3.500 2.652 2.473 3.348 0.027 12 0 "[ . 1 . ]" 1
159 1 7 U H2' 1 8 U H6 3.100 . 3.500 2.095 2.054 2.118 . 0 0 "[ . 1 . ]" 1
160 1 7 U H3' 1 7 U H6 2.400 . 2.900 2.224 2.191 2.272 . 0 0 "[ . 1 . ]" 1
161 1 7 U H1' 1 7 U H4' 3.600 2.900 4.300 3.379 3.329 3.460 . 0 0 "[ . 1 . ]" 1
162 1 6 G H8 1 7 U Q5' 5.500 4.500 7.000 5.993 5.974 6.013 . 0 0 "[ . 1 . ]" 1
163 1 7 U Q5' 1 7 U H6 2.900 2.300 3.500 2.920 2.743 3.009 . 0 0 "[ . 1 . ]" 1
164 1 7 U H1' 1 7 U Q5' 4.100 3.300 4.900 4.262 4.254 4.269 . 0 0 "[ . 1 . ]" 1
165 1 8 U H3 1 22 U H3 2.300 . 4.500 2.161 2.123 2.202 . 0 0 "[ . 1 . ]" 1
166 1 8 U H3 1 22 U H6 3.200 2.500 5.500 5.697 5.642 5.754 0.254 14 0 "[ . 1 . ]" 1
167 1 8 U H3 1 23 U H3 3.300 2.500 5.500 3.613 3.224 4.114 . 0 0 "[ . 1 . ]" 1
168 1 7 U H6 1 8 U H5 3.600 2.900 4.300 3.699 3.476 3.792 . 0 0 "[ . 1 . ]" 1
169 1 7 U H1' 1 8 U H5 4.100 3.300 4.900 4.886 4.790 4.962 0.062 13 0 "[ . 1 . ]" 1
170 1 8 U H5 1 8 U H6 2.500 . 3.500 2.427 2.423 2.430 . 0 0 "[ . 1 . ]" 1
171 1 7 U H3' 1 8 U H6 4.500 3.500 5.500 3.590 3.433 3.703 0.067 16 0 "[ . 1 . ]" 1
172 1 8 U H3' 1 8 U H6 3.500 2.500 4.500 2.547 2.460 2.826 0.040 12 0 "[ . 1 . ]" 1
173 1 8 U Q5' 1 8 U H6 3.500 2.500 4.500 3.245 3.048 3.716 . 0 0 "[ . 1 . ]" 1
174 1 8 U H1' 1 8 U H5 5.500 4.500 6.000 5.358 5.345 5.378 . 0 0 "[ . 1 . ]" 1
175 1 8 U H1' 1 8 U H6 3.100 2.500 3.700 3.616 3.601 3.641 . 0 0 "[ . 1 . ]" 1
176 1 8 U H1' 1 9 U H5 5.500 4.500 6.000 6.056 6.011 6.095 0.095 5 0 "[ . 1 . ]" 1
177 1 8 U H1' 1 9 U H6 5.900 4.500 6.500 4.574 4.450 4.696 0.050 15 0 "[ . 1 . ]" 1
178 1 8 U H2' 1 8 U H6 4.200 3.500 5.500 3.647 3.447 3.789 0.053 16 0 "[ . 1 . ]" 1
179 1 8 U H1' 1 8 U H2' 2.700 2.500 4.500 2.735 2.700 2.822 . 0 0 "[ . 1 . ]" 1
180 1 8 U H2' 1 9 U H6 1.500 . 3.500 2.139 2.113 2.167 . 0 0 "[ . 1 . ]" 1
181 1 8 U H1' 1 8 U H3' 4.300 3.500 5.500 3.831 3.787 3.898 . 0 0 "[ . 1 . ]" 1
182 1 8 U H1' 1 8 U H4' 3.500 2.500 4.500 3.371 3.080 3.482 . 0 0 "[ . 1 . ]" 1
183 1 7 U H1' 1 8 U Q5' 5.200 4.200 6.200 5.346 5.317 5.367 . 0 0 "[ . 1 . ]" 1
184 1 8 U H3 1 9 U H3 3.500 2.500 4.500 4.137 3.644 4.523 0.023 1 0 "[ . 1 . ]" 1
185 1 9 U H3 1 10 U H6 3.400 2.500 5.300 5.199 4.993 5.321 0.021 16 0 "[ . 1 . ]" 1
186 1 9 U H3 1 10 U H1' 4.200 3.500 6.500 5.826 5.577 5.988 . 0 0 "[ . 1 . ]" 1
187 1 9 U H3 1 22 U H3 3.300 2.500 5.500 4.159 3.737 4.740 . 0 0 "[ . 1 . ]" 1
188 1 9 U H3 1 22 U H1' 2.800 . 5.600 3.176 2.847 3.576 . 0 0 "[ . 1 . ]" 1
189 1 8 U H5 1 9 U H5 3.800 3.500 5.500 4.403 3.837 5.325 . 0 0 "[ . 1 . ]" 1
190 1 8 U H6 1 9 U H5 5.500 4.500 6.000 4.822 4.502 5.279 . 0 0 "[ . 1 . ]" 1
191 1 9 U H5 1 9 U H6 2.500 . 3.500 2.416 2.410 2.423 . 0 0 "[ . 1 . ]" 1
192 1 9 U H5 1 10 U H6 5.500 4.500 6.000 5.917 5.708 6.045 0.045 8 0 "[ . 1 . ]" 1
193 1 8 U H6 1 9 U H6 4.400 3.500 5.300 4.766 4.285 5.300 0.000 16 0 "[ . 1 . ]" 1
194 1 9 U H2' 1 9 U H6 3.500 2.500 4.500 3.745 3.613 3.880 . 0 0 "[ . 1 . ]" 1
195 1 9 U H4' 1 9 U H6 3.500 2.500 4.500 4.166 4.068 4.237 . 0 0 "[ . 1 . ]" 1
196 1 9 U H6 1 10 U H6 4.400 3.500 5.300 5.064 4.869 5.211 . 0 0 "[ . 1 . ]" 1
197 1 9 U H1' 1 9 U H6 3.500 2.500 4.500 3.564 3.513 3.606 . 0 0 "[ . 1 . ]" 1
198 1 9 U H1' 1 10 U H6 4.200 3.400 5.000 4.962 4.910 5.006 0.006 3 0 "[ . 1 . ]" 1
199 1 9 U H1' 1 10 U H1' 5.500 4.500 6.500 5.819 5.725 5.966 . 0 0 "[ . 1 . ]" 1
200 1 9 U H2' 1 10 U H5 2.000 . 3.500 3.370 3.233 3.492 . 0 0 "[ . 1 . ]" 1
201 1 9 U H3' 1 9 U H6 2.000 . 3.500 2.983 2.736 3.206 . 0 0 "[ . 1 . ]" 1
202 1 10 U H5 1 10 U H6 2.600 . 3.500 2.429 2.425 2.436 . 0 0 "[ . 1 . ]" 1
203 1 10 U H5 1 11 U H6 5.500 4.500 6.000 5.687 5.519 5.847 . 0 0 "[ . 1 . ]" 1
204 1 10 U H6 1 11 U H6 4.400 3.500 5.300 4.999 4.874 5.087 . 0 0 "[ . 1 . ]" 1
205 1 10 U H1' 1 10 U H5 4.600 3.700 5.500 5.349 5.312 5.374 . 0 0 "[ . 1 . ]" 1
206 1 10 U H1' 1 10 U H6 3.400 2.700 4.100 3.591 3.545 3.623 . 0 0 "[ . 1 . ]" 1
207 1 10 U H1' 1 10 U H4' 3.500 2.500 4.500 3.143 3.052 3.277 . 0 0 "[ . 1 . ]" 1
208 1 10 U H1' 1 11 U H6 4.100 3.300 4.900 4.831 4.707 4.888 . 0 0 "[ . 1 . ]" 1
209 1 10 U H1' 1 11 U H1' 5.500 4.500 6.500 6.024 5.668 6.250 . 0 0 "[ . 1 . ]" 1
210 1 10 U H2' 1 11 U H5 2.000 . 3.500 3.506 3.370 3.568 0.068 14 0 "[ . 1 . ]" 1
211 1 10 U H2' 1 10 U H6 4.000 3.200 4.800 3.705 3.603 3.898 . 0 0 "[ . 1 . ]" 1
212 1 10 U H1' 1 10 U H2' 2.800 2.200 3.400 2.794 2.759 2.821 . 0 0 "[ . 1 . ]" 1
213 1 10 U H2' 1 10 U H3' 1.900 . 3.500 2.367 2.356 2.380 . 0 0 "[ . 1 . ]" 1
214 1 10 U H2' 1 11 U H6 2.100 . 2.500 2.122 2.084 2.166 . 0 0 "[ . 1 . ]" 1
215 1 10 U H2' 1 11 U H1' 4.200 3.400 5.000 4.458 4.214 4.630 . 0 0 "[ . 1 . ]" 1
216 1 10 U H3' 1 10 U H6 2.800 2.200 3.400 2.966 2.777 3.084 . 0 0 "[ . 1 . ]" 1
217 1 10 U H3' 1 11 U H5 2.700 2.500 4.500 3.740 3.334 3.949 . 0 0 "[ . 1 . ]" 1
218 1 10 U H3' 1 11 U H6 2.200 . 3.500 3.435 3.192 3.521 0.021 10 0 "[ . 1 . ]" 1
219 1 10 U H4' 1 10 U H6 3.500 2.800 4.200 4.196 4.127 4.239 0.039 3 0 "[ . 1 . ]" 1
220 1 11 U H3 1 19 A H2 3.000 . 4.000 2.774 2.380 3.108 . 0 0 "[ . 1 . ]" 1
221 1 10 U H6 1 11 U H5 3.600 2.900 4.300 4.299 4.211 4.356 0.056 8 0 "[ . 1 . ]" 1
222 1 11 U H5 1 12 C H5 3.600 2.900 4.300 3.910 3.767 3.989 . 0 0 "[ . 1 . ]" 1
223 1 11 U H5 1 12 C H6 4.700 3.800 5.600 5.679 5.648 5.736 0.136 11 0 "[ . 1 . ]" 1
224 1 11 U H5 1 11 U H6 2.300 . 2.800 2.415 2.409 2.420 . 0 0 "[ . 1 . ]" 1
225 1 11 U H1' 1 11 U H5 4.800 4.500 6.500 5.362 5.346 5.378 . 0 0 "[ . 1 . ]" 1
226 1 11 U Q5' 1 11 U H6 3.500 2.500 4.000 3.480 3.323 3.578 . 0 0 "[ . 1 . ]" 1
227 1 11 U H6 1 12 C H5 4.500 3.500 5.500 4.053 3.949 4.114 . 0 0 "[ . 1 . ]" 1
228 1 11 U H1' 1 11 U H6 3.500 2.500 4.500 3.622 3.590 3.643 . 0 0 "[ . 1 . ]" 1
229 1 11 U H1' 1 12 C H6 3.900 3.100 4.700 4.785 4.756 4.815 0.115 9 0 "[ . 1 . ]" 1
230 1 11 U H1' 1 19 A H2 4.800 3.800 5.800 5.407 5.181 5.761 . 0 0 "[ . 1 . ]" 1
231 1 11 U H2' 1 11 U H5 4.300 3.400 5.200 5.042 4.937 5.177 . 0 0 "[ . 1 . ]" 1
232 1 11 U H2' 1 11 U H6 3.500 2.500 4.500 3.589 3.494 3.756 . 0 0 "[ . 1 . ]" 1
233 1 11 U H1' 1 11 U H2' 2.400 . 3.500 2.760 2.731 2.780 . 0 0 "[ . 1 . ]" 1
234 1 11 U H2' 1 12 C H5 2.500 . 4.500 3.347 3.245 3.427 . 0 0 "[ . 1 . ]" 1
235 1 11 U H3' 1 11 U H6 3.400 2.800 4.000 2.754 2.724 2.783 0.076 18 0 "[ . 1 . ]" 1
236 1 11 U H3' 1 12 C H5 3.200 2.600 3.800 3.627 3.335 3.815 0.015 3 0 "[ . 1 . ]" 1
237 1 11 U H4' 1 11 U H6 3.500 2.500 4.500 4.103 4.008 4.161 . 0 0 "[ . 1 . ]" 1
238 1 11 U H1' 1 11 U H4' 3.500 2.500 4.500 3.240 3.165 3.360 . 0 0 "[ . 1 . ]" 1
239 1 11 U H3' 1 11 U H4' 1.900 . 3.500 3.041 3.036 3.048 . 0 0 "[ . 1 . ]" 1
240 1 11 U H4' 1 12 C H6 3.400 3.300 5.500 5.520 5.381 5.575 0.075 16 0 "[ . 1 . ]" 1
241 1 11 U H1' 1 11 U Q5' 4.500 3.600 5.400 4.400 4.347 4.466 . 0 0 "[ . 1 . ]" 1
242 1 11 U H1' 1 12 C H5 4.600 3.700 5.500 5.541 5.430 5.588 0.088 13 0 "[ . 1 . ]" 1
243 1 12 C H5 1 12 C H6 2.500 . 3.500 2.430 2.423 2.437 . 0 0 "[ . 1 . ]" 1
244 1 11 U H6 1 12 C H6 4.600 3.700 5.500 4.860 4.795 4.909 . 0 0 "[ . 1 . ]" 1
245 1 11 U H3' 1 12 C H6 3.500 2.500 4.500 3.286 2.984 3.431 . 0 0 "[ . 1 . ]" 1
246 1 12 C H2' 1 12 C H6 3.500 2.500 3.500 3.529 3.489 3.576 0.076 8 0 "[ . 1 . ]" 1
247 1 12 C H1' 1 12 C H6 3.500 2.500 4.500 3.645 3.623 3.672 . 0 0 "[ . 1 . ]" 1
248 1 12 C H1' 1 19 A H2 4.600 3.700 5.500 4.385 3.950 4.629 . 0 0 "[ . 1 . ]" 1
249 1 12 C H2' 1 12 C H5 4.500 3.500 5.500 4.965 4.930 5.010 . 0 0 "[ . 1 . ]" 1
250 1 12 C H1' 1 12 C H2' 2.500 . 3.500 2.780 2.758 2.793 . 0 0 "[ . 1 . ]" 1
251 1 12 C H2' 1 13 U H6 3.500 2.500 4.500 3.642 3.388 3.870 . 0 0 "[ . 1 . ]" 1
252 1 12 C H2' 1 13 U H1' 3.500 2.500 4.500 4.149 3.847 4.411 . 0 0 "[ . 1 . ]" 1
253 1 12 C H3' 1 12 C H5 3.500 2.500 4.500 4.532 4.320 4.575 0.075 12 0 "[ . 1 . ]" 1
254 1 12 C H3' 1 12 C H6 2.400 . 2.900 2.616 2.389 2.687 . 0 0 "[ . 1 . ]" 1
255 1 12 C H1' 1 12 C H3' 3.000 2.500 5.500 3.861 3.831 3.874 . 0 0 "[ . 1 . ]" 1
256 1 12 C H2' 1 12 C H3' 3.000 . 3.500 2.365 2.353 2.381 . 0 0 "[ . 1 . ]" 1
257 1 12 C H3' 1 13 U H6 4.500 3.500 5.500 4.605 4.420 4.686 . 0 0 "[ . 1 . ]" 1
258 1 12 C H6 1 13 U H5 4.500 3.500 5.500 5.609 5.577 5.637 0.137 16 0 "[ . 1 . ]" 1
259 1 13 U H5 1 13 U H6 2.100 . 3.500 2.414 2.409 2.420 . 0 0 "[ . 1 . ]" 1
260 1 13 U H5 1 14 C H5 4.500 3.500 5.500 5.568 5.529 5.606 0.106 1 0 "[ . 1 . ]" 1
261 1 13 U H5 1 17 U H1' 4.000 3.500 5.500 5.206 5.014 5.381 . 0 0 "[ . 1 . ]" 1
262 1 13 U H6 1 14 C H6 4.500 3.500 5.500 5.468 5.344 5.539 0.039 15 0 "[ . 1 . ]" 1
263 1 12 C H6 1 13 U H1' 5.500 4.500 7.000 6.726 6.432 7.021 0.021 7 0 "[ . 1 . ]" 1
264 1 13 U H1' 1 13 U H6 3.500 2.500 4.500 3.500 3.447 3.601 . 0 0 "[ . 1 . ]" 1
265 1 13 U H1' 1 14 C H5 5.500 4.500 6.500 6.039 5.164 6.273 . 0 0 "[ . 1 . ]" 1
266 1 13 U H1' 1 14 C H6 4.500 3.500 5.500 4.947 4.106 5.039 . 0 0 "[ . 1 . ]" 1
267 1 13 U H1' 1 14 C H1' 5.500 4.500 6.500 5.812 5.493 6.000 . 0 0 "[ . 1 . ]" 1
268 1 13 U H2' 1 13 U H6 2.500 2.500 4.500 3.868 3.277 4.035 . 0 0 "[ . 1 . ]" 1
269 1 13 U H1' 1 13 U H2' 2.000 . 3.500 2.860 2.829 3.001 . 0 0 "[ . 1 . ]" 1
270 1 13 U H2' 1 14 C H6 2.100 . 3.500 2.167 2.127 2.245 . 0 0 "[ . 1 . ]" 1
271 1 13 U H2' 1 14 C H1' 4.300 3.500 5.500 4.080 3.777 5.122 . 0 0 "[ . 1 . ]" 1
272 1 13 U H3' 1 13 U H6 4.500 3.500 5.500 3.702 3.519 4.211 . 0 0 "[ . 1 . ]" 1
273 1 13 U H3' 1 14 C H6 4.500 3.000 5.500 3.073 2.921 3.606 0.079 17 0 "[ . 1 . ]" 1
274 1 13 U H4' 1 13 U H6 5.200 4.500 6.500 4.377 4.346 4.461 0.154 8 0 "[ . 1 . ]" 1
275 1 13 U H1' 1 13 U H4' 3.500 2.500 4.500 2.998 2.650 3.109 . 0 0 "[ . 1 . ]" 1
276 1 13 U H4' 1 14 C H6 5.500 4.500 6.500 5.383 5.166 5.532 . 0 0 "[ . 1 . ]" 1
277 1 13 U H6 1 14 C H5 4.500 3.500 5.500 5.006 4.703 5.198 . 0 0 "[ . 1 . ]" 1
278 1 14 C H5 1 14 C H6 2.200 . 2.600 2.453 2.449 2.462 . 0 0 "[ . 1 . ]" 1
279 1 14 C H1' 1 14 C H5 6.100 4.900 7.300 5.363 5.346 5.374 . 0 0 "[ . 1 . ]" 1
280 1 14 C H1' 1 14 C H6 2.000 . 3.500 3.616 3.588 3.630 0.130 6 0 "[ . 1 . ]" 1
281 1 14 C H1' 1 14 C H3' 3.500 2.500 4.500 3.887 3.869 3.907 . 0 0 "[ . 1 . ]" 1
282 1 14 C H1' 1 14 C H4' 3.500 2.500 4.500 3.416 3.363 3.526 . 0 0 "[ . 1 . ]" 1
283 1 14 C H1' 1 15 G H8 4.700 3.500 6.500 5.878 5.727 6.067 . 0 0 "[ . 1 . ]" 1
284 1 14 C H1' 1 15 G H1' 6.800 5.400 8.200 5.787 5.541 6.440 . 0 0 "[ . 1 . ]" 1
285 1 14 C H1' 1 17 U H1' 4.500 3.700 5.300 5.015 4.466 5.326 0.026 10 0 "[ . 1 . ]" 1
286 1 14 C H2' 1 14 C H5 4.400 3.500 5.500 5.022 4.973 5.083 . 0 0 "[ . 1 . ]" 1
287 1 14 C H2' 1 14 C H6 3.600 2.900 4.300 3.494 3.393 3.580 . 0 0 "[ . 1 . ]" 1
288 1 14 C H1' 1 14 C H2' 2.800 . 3.500 2.754 2.729 2.769 . 0 0 "[ . 1 . ]" 1
289 1 14 C H2' 1 15 G H8 3.100 2.500 4.500 4.470 4.347 4.559 0.059 1 0 "[ . 1 . ]" 1
290 1 14 C H3' 1 14 C H5 2.800 2.500 4.500 4.485 4.386 4.557 0.057 1 0 "[ . 1 . ]" 1
291 1 14 C H3' 1 14 C H6 2.000 . 3.500 2.531 2.419 2.653 . 0 0 "[ . 1 . ]" 1
292 1 14 C H3' 1 14 C Q5' 3.500 2.500 4.500 2.786 2.647 2.863 . 0 0 "[ . 1 . ]" 1
293 1 14 C H3' 1 15 G H8 4.500 3.500 5.500 5.542 5.508 5.567 0.067 1 0 "[ . 1 . ]" 1
294 1 13 U H4' 1 14 C H4' 5.500 4.500 6.500 6.537 6.497 6.615 0.115 17 0 "[ . 1 . ]" 1
295 1 14 C H4' 1 14 C H6 3.900 3.500 5.500 3.889 3.777 3.931 . 0 0 "[ . 1 . ]" 1
296 1 14 C Q5' 1 14 C H6 2.900 2.300 3.500 3.033 2.805 3.128 . 0 0 "[ . 1 . ]" 1
297 1 14 C H1' 1 14 C Q5' 4.000 3.200 4.800 4.365 4.332 4.413 . 0 0 "[ . 1 . ]" 1
298 1 14 C H3' 1 15 G H1' 5.500 4.500 6.500 5.202 5.098 5.404 . 0 0 "[ . 1 . ]" 1
299 1 15 G H1' 1 15 G H8 2.200 . 3.500 2.546 2.532 2.552 . 0 0 "[ . 1 . ]" 1
300 1 15 G H1' 1 16 C H4' 4.500 3.500 5.500 4.153 4.098 4.305 . 0 0 "[ . 1 . ]" 1
301 1 15 G H1' 1 16 C H6 3.500 2.500 4.500 3.197 2.867 3.422 . 0 0 "[ . 1 . ]" 1
302 1 15 G H1' 1 16 C Q5' 4.500 3.500 5.500 4.332 4.239 4.427 . 0 0 "[ . 1 . ]" 1
303 1 15 G H1' 1 15 G H2' 2.700 . 3.500 3.027 3.018 3.034 . 0 0 "[ . 1 . ]" 1
304 1 15 G H2' 1 15 G H3' 2.400 . 3.500 2.421 2.416 2.425 . 0 0 "[ . 1 . ]" 1
305 1 15 G H2' 1 15 G Q5' 3.100 2.500 6.400 2.417 2.360 2.470 0.140 2 0 "[ . 1 . ]" 1
306 1 15 G H2' 1 16 C H6 4.500 3.500 6.000 5.710 5.525 5.877 . 0 0 "[ . 1 . ]" 1
307 1 14 C H5 1 15 G H22 5.500 4.500 6.500 6.561 6.520 6.613 0.113 1 0 "[ . 1 . ]" 1
308 1 14 C H6 1 15 G H22 5.500 4.500 6.500 5.708 5.544 5.825 . 0 0 "[ . 1 . ]" 1
309 1 14 C H3' 1 15 G H22 2.500 . 4.000 3.935 3.782 4.023 0.023 12 0 "[ . 1 . ]" 1
310 1 15 G H1' 1 15 G H3' 2.900 2.500 4.500 3.806 3.775 3.863 . 0 0 "[ . 1 . ]" 1
311 1 15 G H3' 1 16 C H5 5.500 4.500 6.200 6.247 6.222 6.275 0.075 7 0 "[ . 1 . ]" 1
312 1 15 G H3' 1 16 C H6 5.200 4.500 6.500 5.467 5.353 5.536 . 0 0 "[ . 1 . ]" 1
313 1 15 G H4' 1 15 G Q5' 3.000 . 3.500 2.457 2.419 2.502 . 0 0 "[ . 1 . ]" 1
314 1 15 G Q5' 1 15 G H8 3.700 2.500 6.500 5.414 5.154 5.564 . 0 0 "[ . 1 . ]" 1
315 1 16 C H5 1 16 C H6 2.500 . 3.500 2.441 2.424 2.448 . 0 0 "[ . 1 . ]" 1
316 1 16 C H1' 1 16 C H5 5.500 4.500 6.000 5.418 5.407 5.424 . 0 0 "[ . 1 . ]" 1
317 1 15 G H8 1 16 C H6 4.800 3.800 5.800 4.613 4.366 4.890 . 0 0 "[ . 1 . ]" 1
318 1 16 C H2' 1 16 C H6 3.000 . 3.500 2.462 2.365 2.659 . 0 0 "[ . 1 . ]" 1
319 1 15 G H8 1 16 C H1' 4.500 3.500 5.500 3.492 3.471 3.555 0.029 2 0 "[ . 1 . ]" 1
320 1 15 G H1' 1 16 C H1' 4.400 3.500 5.300 3.420 3.400 3.438 0.100 2 0 "[ . 1 . ]" 1
321 1 16 C H1' 1 16 C H6 3.000 2.400 3.600 3.690 3.672 3.698 0.098 18 0 "[ . 1 . ]" 1
322 1 16 C H1' 1 17 U H6 3.500 2.800 4.200 3.524 3.462 3.610 . 0 0 "[ . 1 . ]" 1
323 1 16 C H1' 1 17 U H1' 5.500 4.500 6.000 4.917 4.714 5.150 . 0 0 "[ . 1 . ]" 1
324 1 16 C H1' 1 16 C H2' 2.700 2.200 3.200 3.007 2.999 3.016 . 0 0 "[ . 1 . ]" 1
325 1 16 C H3' 1 16 C H6 1.900 . 4.500 3.797 3.720 3.867 . 0 0 "[ . 1 . ]" 1
326 1 16 C H1' 1 16 C H3' 3.400 2.700 4.100 3.911 3.891 3.928 . 0 0 "[ . 1 . ]" 1
327 1 16 C H2' 1 16 C H3' 3.000 . 3.500 2.322 2.315 2.333 . 0 0 "[ . 1 . ]" 1
328 1 16 C H3' 1 17 U H6 4.500 3.500 5.500 5.048 4.797 5.184 . 0 0 "[ . 1 . ]" 1
329 1 15 G H8 1 16 C H4' 4.500 3.500 5.500 5.562 5.527 5.599 0.099 17 0 "[ . 1 . ]" 1
330 1 15 G H4' 1 16 C H4' 3.500 2.500 4.500 3.731 3.483 3.934 . 0 0 "[ . 1 . ]" 1
331 1 16 C H4' 1 16 C H6 4.500 3.500 5.500 4.472 4.410 4.517 . 0 0 "[ . 1 . ]" 1
332 1 16 C H1' 1 16 C H4' 3.000 2.400 3.600 2.954 2.906 3.014 . 0 0 "[ . 1 . ]" 1
333 1 16 C H2' 1 16 C H4' 3.500 2.500 4.500 3.931 3.921 3.941 . 0 0 "[ . 1 . ]" 1
334 1 16 C H4' 1 16 C Q5' 3.000 . 3.500 2.294 2.280 2.320 . 0 0 "[ . 1 . ]" 1
335 1 16 C H4' 1 17 U H6 4.500 3.500 5.500 5.519 5.338 5.568 0.068 5 0 "[ . 1 . ]" 1
336 1 16 C H1' 1 16 C Q5' 4.400 3.500 5.300 4.228 4.215 4.238 . 0 0 "[ . 1 . ]" 1
337 1 16 C H1' 1 17 U H5 5.500 4.500 6.000 4.441 4.409 4.473 0.091 6 0 "[ . 1 . ]" 1
338 1 17 U H5 1 17 U H6 2.100 . 2.500 2.444 2.439 2.449 . 0 0 "[ . 1 . ]" 1
339 1 16 C H6 1 17 U H6 5.500 4.500 6.000 5.903 5.660 6.053 0.053 17 0 "[ . 1 . ]" 1
340 1 17 U H1' 1 17 U H5 5.500 4.500 6.000 5.261 5.240 5.286 . 0 0 "[ . 1 . ]" 1
341 1 17 U H1' 1 17 U H6 3.500 2.800 4.200 3.460 3.431 3.484 . 0 0 "[ . 1 . ]" 1
342 1 17 U H1' 1 17 U H3' 4.000 3.000 5.000 3.929 3.919 3.946 . 0 0 "[ . 1 . ]" 1
343 1 17 U H1' 1 18 G H8 4.500 3.500 5.500 3.679 3.603 3.793 . 0 0 "[ . 1 . ]" 1
344 1 17 U H2' 1 17 U H6 2.700 . 3.500 3.607 3.583 3.652 0.152 14 0 "[ . 1 . ]" 1
345 1 17 U H3' 1 17 U H5 5.400 4.500 6.500 6.548 6.514 6.576 0.076 4 0 "[ . 1 . ]" 1
346 1 17 U H3' 1 17 U H6 3.500 2.500 4.500 4.531 4.514 4.550 0.050 1 0 "[ . 1 . ]" 1
347 1 17 U H3' 1 18 G H8 2.500 . 3.500 3.539 3.514 3.559 0.059 7 0 "[ . 1 . ]" 1
348 1 17 U H4' 1 17 U H6 3.500 2.500 4.500 4.318 4.284 4.347 . 0 0 "[ . 1 . ]" 1
349 1 17 U H1' 1 17 U H4' 2.600 2.500 4.500 2.920 2.887 2.957 . 0 0 "[ . 1 . ]" 1
350 1 17 U H3' 1 17 U H4' 3.000 . 3.500 2.955 2.944 2.964 . 0 0 "[ . 1 . ]" 1
351 1 17 U H4' 1 17 U Q5' 3.000 . 3.500 2.200 2.181 2.208 . 0 0 "[ . 1 . ]" 1
352 1 17 U Q5' 1 17 U H6 4.500 3.500 5.500 3.970 3.921 4.049 . 0 0 "[ . 1 . ]" 1
353 1 17 U H1' 1 17 U Q5' 4.400 3.500 5.300 4.301 4.286 4.316 . 0 0 "[ . 1 . ]" 1
354 1 11 U H3 1 18 G H1 5.000 4.000 5.500 4.081 3.980 4.343 0.020 2 0 "[ . 1 . ]" 1
355 1 12 C H41 1 18 G H1 2.500 . 4.500 2.024 1.990 2.075 . 0 0 "[ . 1 . ]" 1
356 1 12 C H42 1 18 G H1 2.700 . 3.500 3.550 3.534 3.576 0.076 5 0 "[ . 1 . ]" 1
357 1 13 U H1' 1 18 G H1 3.400 2.500 5.000 3.799 3.488 4.593 . 0 0 "[ . 1 . ]" 1
358 1 18 G H1 1 19 A H2 3.000 2.500 5.000 4.649 4.403 4.911 . 0 0 "[ . 1 . ]" 1
359 1 18 G H1 1 19 A H1' 5.500 4.500 6.500 6.298 5.951 6.498 . 0 0 "[ . 1 . ]" 1
360 1 17 U H2' 1 18 G H8 3.500 2.500 4.500 4.585 4.549 4.617 0.117 15 0 "[ . 1 . ]" 1
361 1 18 G H3' 1 18 G H8 4.500 3.900 5.500 3.832 3.796 3.861 0.104 12 0 "[ . 1 . ]" 1
362 1 17 U H1' 1 18 G H1' 5.500 4.500 7.000 5.968 5.820 6.110 . 0 0 "[ . 1 . ]" 1
363 1 17 U H3' 1 18 G H1' 5.500 4.500 6.700 6.944 6.912 6.980 0.280 1 0 "[ . 1 . ]" 1
364 1 18 G H1' 1 18 G H8 4.500 3.500 5.500 3.517 3.499 3.545 0.001 14 0 "[ . 1 . ]" 1
365 1 18 G H1' 1 19 A H8 5.500 4.500 6.000 4.988 4.864 5.233 . 0 0 "[ . 1 . ]" 1
366 1 18 G H1' 1 19 A H1' 6.000 4.800 7.200 6.852 6.709 7.031 . 0 0 "[ . 1 . ]" 1
367 1 18 G H1' 1 19 A Q5' 5.500 4.500 6.500 4.722 4.303 5.055 0.197 16 0 "[ . 1 . ]" 1
368 1 18 G H2' 1 18 G H8 4.200 3.400 5.000 4.316 4.256 4.367 . 0 0 "[ . 1 . ]" 1
369 1 18 G H1' 1 18 G H2' 2.700 2.200 3.200 2.722 2.707 2.737 . 0 0 "[ . 1 . ]" 1
370 1 18 G H2' 1 19 A H8 2.200 . 2.600 2.320 2.212 2.575 . 0 0 "[ . 1 . ]" 1
371 1 19 A H3' 1 19 A H8 3.000 . 3.500 2.478 2.366 2.591 . 0 0 "[ . 1 . ]" 1
372 1 18 G H2' 1 19 A H1' 3.900 3.100 4.700 4.750 4.680 4.791 0.091 11 0 "[ . 1 . ]" 1
373 1 19 A H1' 1 19 A H2 4.100 3.300 4.900 4.663 4.634 4.709 . 0 0 "[ . 1 . ]" 1
374 1 19 A H1' 1 19 A H8 3.900 3.100 4.700 3.785 3.758 3.800 . 0 0 "[ . 1 . ]" 1
375 1 19 A H1' 1 20 C H6 4.300 3.400 5.200 4.295 4.201 4.380 . 0 0 "[ . 1 . ]" 1
376 1 19 A H1' 1 20 C H4' 4.900 3.900 5.900 4.750 4.533 4.856 . 0 0 "[ . 1 . ]" 1
377 1 19 A H2 1 19 A H2' 4.800 3.800 5.800 5.010 4.879 5.089 . 0 0 "[ . 1 . ]" 1
378 1 19 A H2' 1 19 A H8 2.100 . 4.400 3.856 3.804 3.932 . 0 0 "[ . 1 . ]" 1
379 1 19 A H1' 1 19 A H2' 2.700 2.200 3.200 2.668 2.656 2.681 . 0 0 "[ . 1 . ]" 1
380 1 19 A H2' 1 20 C H5 3.000 2.500 4.500 4.429 4.376 4.475 . 0 0 "[ . 1 . ]" 1
381 1 19 A H2' 1 20 C H6 2.300 . 2.800 2.147 2.130 2.160 . 0 0 "[ . 1 . ]" 1
382 1 19 A H2' 1 20 C H1' 3.500 2.800 4.200 3.223 3.106 3.376 . 0 0 "[ . 1 . ]" 1
383 1 19 A H1' 1 19 A H3' 3.100 2.500 3.700 3.776 3.761 3.787 0.087 17 0 "[ . 1 . ]" 1
384 1 19 A H2' 1 19 A H3' 2.400 . 3.500 2.389 2.381 2.399 . 0 0 "[ . 1 . ]" 1
385 1 19 A H3' 1 19 A H4' 1.900 . 3.500 3.028 3.021 3.037 . 0 0 "[ . 1 . ]" 1
386 1 19 A H3' 1 20 C H6 3.900 2.500 5.500 2.682 2.494 2.839 0.006 4 0 "[ . 1 . ]" 1
387 1 19 A H4' 1 19 A H8 3.500 2.500 5.500 3.965 3.899 4.051 . 0 0 "[ . 1 . ]" 1
388 1 19 A H1' 1 19 A H4' 3.200 2.600 3.800 3.631 3.558 3.684 . 0 0 "[ . 1 . ]" 1
389 1 19 A H4' 1 20 C H6 4.800 3.800 5.800 5.362 5.231 5.456 . 0 0 "[ . 1 . ]" 1
390 1 19 A Q5' 1 19 A H8 3.000 2.500 5.500 2.639 2.440 2.794 0.060 7 0 "[ . 1 . ]" 1
391 1 19 A H1' 1 19 A Q5' 4.400 3.500 5.300 4.295 4.255 4.365 . 0 0 "[ . 1 . ]" 1
392 1 19 A H2 1 20 C H5 4.800 3.800 5.800 5.882 5.841 5.900 0.100 5 0 "[ . 1 . ]" 1
393 1 19 A H8 1 20 C H5 3.800 3.000 4.600 3.933 3.603 4.157 . 0 0 "[ . 1 . ]" 1
394 1 19 A H1' 1 20 C H5 5.000 4.000 6.000 5.941 5.802 6.033 0.033 10 0 "[ . 1 . ]" 1
395 1 20 C H5 1 20 C H6 2.600 2.100 3.100 2.454 2.451 2.457 . 0 0 "[ . 1 . ]" 1
396 1 20 C H1' 1 20 C H5 4.400 3.500 5.300 5.236 5.224 5.254 . 0 0 "[ . 1 . ]" 1
397 1 20 C H5 1 21 U H5 3.400 2.700 4.100 3.353 3.254 3.419 . 0 0 "[ . 1 . ]" 1
398 1 19 A H2 1 20 C H6 4.500 3.600 5.400 5.048 4.989 5.212 . 0 0 "[ . 1 . ]" 1
399 1 19 A H8 1 20 C H6 3.800 3.000 4.600 3.808 3.597 3.956 . 0 0 "[ . 1 . ]" 1
400 1 20 C H6 1 21 U H6 5.500 4.500 6.000 4.395 4.369 4.416 0.131 17 0 "[ . 1 . ]" 1
401 1 19 A H2 1 20 C H1' 3.500 2.800 4.200 2.806 2.726 3.036 0.074 4 0 "[ . 1 . ]" 1
402 1 19 A H8 1 20 C H1' 5.000 4.000 6.000 6.123 6.090 6.166 0.166 4 0 "[ . 1 . ]" 1
403 1 19 A H1' 1 20 C H1' 4.600 3.700 5.500 4.217 4.069 4.389 . 0 0 "[ . 1 . ]" 1
404 1 19 A H3' 1 20 C H1' 5.500 4.500 6.500 5.388 5.306 5.523 . 0 0 "[ . 1 . ]" 1
405 1 20 C H1' 1 20 C H6 3.200 2.600 3.800 3.469 3.452 3.495 . 0 0 "[ . 1 . ]" 1
406 1 20 C H1' 1 20 C Q5' 4.300 3.400 5.200 4.357 4.314 4.392 . 0 0 "[ . 1 . ]" 1
407 1 20 C H1' 1 21 U H6 4.100 3.300 4.900 4.740 4.673 4.795 . 0 0 "[ . 1 . ]" 1
408 1 20 C H2' 1 20 C H6 3.600 2.900 4.300 3.955 3.897 4.011 . 0 0 "[ . 1 . ]" 1
409 1 20 C H1' 1 20 C H2' 2.600 2.100 3.100 2.804 2.792 2.816 . 0 0 "[ . 1 . ]" 1
410 1 20 C H2' 1 21 U H6 2.500 . 3.500 2.166 2.140 2.179 . 0 0 "[ . 1 . ]" 1
411 1 19 A H2' 1 20 C H3' 2.500 . 4.500 3.863 3.784 3.951 . 0 0 "[ . 1 . ]" 1
412 1 20 C H3' 1 20 C H6 2.700 2.200 3.200 3.340 3.319 3.372 0.172 17 0 "[ . 1 . ]" 1
413 1 20 C H1' 1 20 C H3' 3.400 2.700 4.100 3.841 3.827 3.859 . 0 0 "[ . 1 . ]" 1
414 1 20 C H3' 1 21 U H5 5.500 3.500 5.500 3.455 3.418 3.487 0.082 17 0 "[ . 1 . ]" 1
415 1 20 C H4' 1 20 C H6 4.100 3.300 4.900 4.268 4.256 4.284 . 0 0 "[ . 1 . ]" 1
416 1 20 C H1' 1 20 C H4' 3.700 3.000 4.400 3.078 3.043 3.113 . 0 0 "[ . 1 . ]" 1
417 1 20 C H4' 1 20 C Q5' 2.600 . 4.500 2.190 2.183 2.200 . 0 0 "[ . 1 . ]" 1
418 1 10 U H5 1 20 C H41 2.500 . 4.500 4.499 4.393 4.556 0.056 3 0 "[ . 1 . ]" 1
419 1 19 A H1' 1 20 C Q5' 4.500 3.600 5.400 4.426 4.225 4.583 . 0 0 "[ . 1 . ]" 1
420 1 20 C Q5' 1 20 C H6 3.500 2.800 4.200 3.834 3.768 3.881 . 0 0 "[ . 1 . ]" 1
421 1 8 U H3 1 21 U H3 3.900 3.500 6.500 5.322 4.995 5.549 . 0 0 "[ . 1 . ]" 1
422 1 9 U H3 1 21 U H3 2.400 . 4.500 2.273 2.189 2.498 . 0 0 "[ . 1 . ]" 1
423 1 11 U H3 1 21 U H3 4.900 4.500 6.500 6.572 6.535 6.591 0.091 11 0 "[ . 1 . ]" 1
424 1 21 U H3 1 22 U H3 3.900 3.500 6.500 4.569 4.054 5.270 . 0 0 "[ . 1 . ]" 1
425 1 21 U H3 1 22 U H6 3.200 2.500 5.500 5.582 5.553 5.614 0.114 16 0 "[ . 1 . ]" 1
426 1 20 C H6 1 21 U H5 3.300 2.600 4.000 3.549 3.487 3.620 . 0 0 "[ . 1 . ]" 1
427 1 20 C H1' 1 21 U H5 4.500 3.500 5.500 5.543 5.520 5.570 0.070 3 0 "[ . 1 . ]" 1
428 1 21 U H5 1 21 U H6 2.500 . 3.500 2.430 2.425 2.435 . 0 0 "[ . 1 . ]" 1
429 1 21 U H5 1 22 U H5 3.900 3.500 5.500 5.343 5.023 5.507 0.007 16 0 "[ . 1 . ]" 1
430 1 20 C H3' 1 21 U H6 3.500 2.500 4.500 2.549 2.494 2.666 0.006 11 0 "[ . 1 . ]" 1
431 1 21 U H3' 1 21 U H6 5.500 3.500 5.500 3.640 3.496 3.836 0.004 4 0 "[ . 1 . ]" 1
432 1 21 U H6 1 22 U H6 5.500 4.500 6.000 5.546 5.207 5.671 . 0 0 "[ . 1 . ]" 1
433 1 20 C H1' 1 21 U H1' 4.600 3.700 5.500 5.581 5.555 5.601 0.101 5 0 "[ . 1 . ]" 1
434 1 20 C H2' 1 21 U H1' 3.500 2.500 4.500 3.534 3.463 3.674 . 0 0 "[ . 1 . ]" 1
435 1 21 U H1' 1 21 U H6 3.500 2.500 4.500 3.556 3.537 3.587 . 0 0 "[ . 1 . ]" 1
436 1 21 U H1' 1 22 U H5 5.500 4.500 6.000 5.369 5.075 5.738 . 0 0 "[ . 1 . ]" 1
437 1 21 U H1' 1 22 U H6 3.900 3.100 4.700 4.573 4.282 4.750 0.050 1 0 "[ . 1 . ]" 1
438 1 21 U H1' 1 22 U H1' 5.500 4.500 6.000 5.604 5.263 5.874 . 0 0 "[ . 1 . ]" 1
439 1 21 U H2' 1 21 U H6 2.300 . 3.500 3.473 3.321 3.554 0.054 4 0 "[ . 1 . ]" 1
440 1 21 U H1' 1 21 U H2' 2.000 . 3.500 2.911 2.877 2.945 . 0 0 "[ . 1 . ]" 1
441 1 21 U H2' 1 22 U H6 1.600 . 3.500 2.151 2.108 2.193 . 0 0 "[ . 1 . ]" 1
442 1 21 U H2' 1 21 U H3' 3.000 . 3.500 2.302 2.295 2.313 . 0 0 "[ . 1 . ]" 1
443 1 21 U H3' 1 21 U H4' 3.500 2.500 4.500 3.021 3.007 3.032 . 0 0 "[ . 1 . ]" 1
444 1 21 U H3' 1 22 U H5 3.500 2.500 4.500 3.369 3.157 3.934 . 0 0 "[ . 1 . ]" 1
445 1 21 U H3' 1 22 U H6 2.400 . 3.500 3.489 3.408 3.527 0.027 9 0 "[ . 1 . ]" 1
446 1 22 U H3 1 22 U H5 2.500 . 4.500 4.207 4.203 4.213 . 0 0 "[ . 1 . ]" 1
447 1 22 U H3 1 22 U H6 3.000 2.500 5.500 4.781 4.774 4.789 . 0 0 "[ . 1 . ]" 1
448 1 22 U H3 1 23 U H3 2.200 . 4.500 4.101 3.615 4.523 0.023 16 0 "[ . 1 . ]" 1
449 1 22 U H5 1 22 U H6 2.300 . 3.500 2.422 2.419 2.425 . 0 0 "[ . 1 . ]" 1
450 1 22 U H3' 1 22 U H6 3.000 . 3.500 2.828 2.607 3.153 . 0 0 "[ . 1 . ]" 1
451 1 22 U H1' 1 22 U H5 4.900 4.500 6.500 5.327 5.276 5.374 . 0 0 "[ . 1 . ]" 1
452 1 22 U H1' 1 22 U H6 2.700 2.500 4.500 3.561 3.490 3.631 . 0 0 "[ . 1 . ]" 1
453 1 22 U H1' 1 23 U H5 3.800 3.000 4.600 4.665 4.618 4.701 0.101 5 0 "[ . 1 . ]" 1
454 1 22 U H1' 1 23 U H6 4.500 3.500 5.500 4.832 4.702 5.011 . 0 0 "[ . 1 . ]" 1
455 1 22 U H2' 1 22 U H5 4.500 3.500 5.500 5.212 4.938 5.395 . 0 0 "[ . 1 . ]" 1
456 1 22 U H2' 1 22 U H6 4.000 3.000 4.000 3.729 3.421 3.946 . 0 0 "[ . 1 . ]" 1
457 1 22 U H1' 1 22 U H2' 2.400 2.300 4.500 2.747 2.715 2.828 . 0 0 "[ . 1 . ]" 1
458 1 22 U H2' 1 23 U H5 3.500 2.500 4.500 2.427 2.393 2.477 0.107 12 0 "[ . 1 . ]" 1
459 1 22 U H2' 1 23 U H6 2.300 . 2.800 2.188 2.121 2.321 . 0 0 "[ . 1 . ]" 1
460 1 22 U H3' 1 23 U H5 3.500 2.500 4.500 3.233 2.782 3.949 . 0 0 "[ . 1 . ]" 1
461 1 22 U H3' 1 23 U H6 3.000 2.400 3.600 3.552 3.342 3.660 0.060 5 0 "[ . 1 . ]" 1
462 1 22 U H1' 1 22 U H4' 1.800 . 3.500 3.358 3.090 3.451 . 0 0 "[ . 1 . ]" 1
463 1 22 U Q5' 1 22 U H6 3.400 2.700 4.100 3.318 3.188 3.708 . 0 0 "[ . 1 . ]" 1
464 1 6 G H1 1 23 U H3 3.200 2.500 5.500 3.427 3.253 3.601 . 0 0 "[ . 1 . ]" 1
465 1 6 G H21 1 23 U H3 4.500 3.500 6.500 3.980 3.779 4.173 . 0 0 "[ . 1 . ]" 1
466 1 6 G H22 1 23 U H3 3.600 2.500 5.500 5.147 4.960 5.319 . 0 0 "[ . 1 . ]" 1
467 1 7 U H3 1 23 U H3 2.200 . 4.400 2.116 2.073 2.149 . 0 0 "[ . 1 . ]" 1
468 1 7 U H5 1 23 U H3 4.500 3.500 5.500 5.737 5.687 5.801 0.301 2 0 "[ . 1 . ]" 1
469 1 8 U H1' 1 23 U H3 2.800 . 5.600 4.843 4.415 5.211 . 0 0 "[ . 1 . ]" 1
470 1 23 U H3 1 23 U H6 3.400 2.500 6.300 4.807 4.801 4.813 . 0 0 "[ . 1 . ]" 1
471 1 23 U H3 1 24 C H6 4.200 3.500 6.500 5.813 5.709 6.123 . 0 0 "[ . 1 . ]" 1
472 1 23 U H3 1 24 C H41 3.400 2.500 6.300 3.909 3.799 4.264 . 0 0 "[ . 1 . ]" 1
473 1 23 U H3 1 24 C H42 3.600 2.500 5.500 4.521 4.391 4.859 . 0 0 "[ . 1 . ]" 1
474 1 22 U H3 1 23 U H5 4.500 3.500 5.500 3.915 3.658 4.134 . 0 0 "[ . 1 . ]" 1
475 1 23 U H5 1 23 U H6 2.500 . 3.500 2.427 2.420 2.432 . 0 0 "[ . 1 . ]" 1
476 1 23 U H1' 1 23 U H5 4.700 3.800 5.600 5.403 5.393 5.426 . 0 0 "[ . 1 . ]" 1
477 1 23 U H5 1 24 C H5 4.400 3.500 5.300 3.831 3.635 4.188 . 0 0 "[ . 1 . ]" 1
478 1 22 U H4' 1 23 U H6 5.500 3.500 5.500 5.466 5.309 5.563 0.063 13 0 "[ . 1 . ]" 1
479 1 23 U H3' 1 23 U H6 3.500 2.500 4.500 2.458 2.418 2.509 0.082 14 0 "[ . 1 . ]" 1
480 1 23 U H6 1 24 C H6 3.900 3.100 4.700 4.699 4.558 4.787 0.087 13 0 "[ . 1 . ]" 1
481 1 23 U H1' 1 23 U H6 3.500 2.500 4.500 3.683 3.670 3.706 . 0 0 "[ . 1 . ]" 1
482 1 23 U H1' 1 24 C H5 4.600 3.700 5.500 5.449 5.365 5.524 0.024 15 0 "[ . 1 . ]" 1
483 1 23 U H1' 1 24 C H6 3.900 3.100 4.700 4.848 4.760 4.876 0.176 8 0 "[ . 1 . ]" 1
484 1 23 U H1' 1 24 C H1' 5.500 4.500 7.000 5.433 5.139 5.623 . 0 0 "[ . 1 . ]" 1
485 1 23 U H2' 1 24 C H5 2.500 . 4.500 3.209 2.932 3.379 . 0 0 "[ . 1 . ]" 1
486 1 23 U H2' 1 24 C H6 2.400 . 2.900 2.151 2.128 2.176 . 0 0 "[ . 1 . ]" 1
487 1 23 U H3' 1 24 C H5 4.000 2.500 5.500 3.261 2.991 3.786 . 0 0 "[ . 1 . ]" 1
488 1 23 U H3' 1 24 C H6 3.100 2.500 3.700 3.213 2.957 3.647 . 0 0 "[ . 1 . ]" 1
489 1 23 U Q5' 1 23 U H6 3.600 2.900 4.300 3.043 2.729 3.254 0.171 3 0 "[ . 1 . ]" 1
490 1 23 U H6 1 24 C H5 3.600 2.900 4.300 3.659 3.483 3.905 . 0 0 "[ . 1 . ]" 1
491 1 24 C H5 1 24 C H6 2.300 . 2.800 2.451 2.448 2.454 . 0 0 "[ . 1 . ]" 1
492 1 24 C H1' 1 24 C H5 5.500 4.500 6.000 5.385 5.377 5.393 . 0 0 "[ . 1 . ]" 1
493 1 24 C H5 1 25 A H8 5.500 4.500 6.000 5.500 5.318 5.649 . 0 0 "[ . 1 . ]" 1
494 1 23 U H5 1 24 C H6 5.500 4.500 6.500 5.755 5.561 5.959 . 0 0 "[ . 1 . ]" 1
495 1 23 U H4' 1 24 C H6 4.500 3.500 5.500 5.493 5.396 5.532 0.032 13 0 "[ . 1 . ]" 1
496 1 24 C Q5' 1 24 C H6 3.500 2.500 4.500 3.335 3.241 3.404 . 0 0 "[ . 1 . ]" 1
497 1 24 C H1' 1 24 C H6 3.600 2.900 4.300 3.650 3.628 3.665 . 0 0 "[ . 1 . ]" 1
498 1 24 C H1' 1 24 C H4' 3.500 2.500 4.500 3.331 3.289 3.384 . 0 0 "[ . 1 . ]" 1
499 1 24 C H1' 1 25 A H8 4.100 3.300 4.900 4.917 4.852 4.952 0.052 17 0 "[ . 1 . ]" 1
500 1 24 C H1' 1 25 A H1' 5.200 4.200 6.200 4.311 4.217 4.449 . 0 0 "[ . 1 . ]" 1
501 1 24 C H2' 1 24 C H6 2.400 . 3.500 3.494 3.432 3.545 0.045 8 0 "[ . 1 . ]" 1
502 1 24 C H1' 1 24 C H2' 3.700 2.500 4.500 2.760 2.749 2.773 . 0 0 "[ . 1 . ]" 1
503 1 24 C H2' 1 25 A H1' 3.900 3.500 5.500 3.597 3.514 3.660 . 0 0 "[ . 1 . ]" 1
504 1 24 C H3' 1 24 C H6 3.200 2.500 4.500 2.506 2.473 2.580 0.027 2 0 "[ . 1 . ]" 1
505 1 24 C H3' 1 24 C H4' 3.000 . 4.000 3.040 3.036 3.043 . 0 0 "[ . 1 . ]" 1
506 1 24 C H4' 1 24 C Q5' 3.000 . 3.500 2.195 2.192 2.199 . 0 0 "[ . 1 . ]" 1
507 1 24 C H1' 1 24 C Q5' 4.600 3.700 5.500 4.438 4.416 4.453 . 0 0 "[ . 1 . ]" 1
508 1 24 C H3' 1 24 C Q5' 2.800 . 4.500 2.640 2.583 2.709 . 0 0 "[ . 1 . ]" 1
509 1 4 C H5 1 25 A H2 5.500 4.400 6.600 6.739 6.699 6.764 0.164 11 0 "[ . 1 . ]" 1
510 1 5 U H5 1 25 A H2 5.200 4.200 6.200 6.283 6.256 6.295 0.095 10 0 "[ . 1 . ]" 1
511 1 6 G H8 1 25 A H2 4.800 3.800 5.800 5.799 5.677 5.836 0.036 10 0 "[ . 1 . ]" 1
512 1 25 A H2 1 26 G H8 3.800 3.000 4.600 4.729 4.651 4.762 0.162 14 0 "[ . 1 . ]" 1
513 1 24 C H6 1 25 A H8 5.400 3.500 6.500 4.866 4.719 4.961 . 0 0 "[ . 1 . ]" 1
514 1 24 C H3' 1 25 A H8 3.500 2.500 4.500 3.679 3.568 3.754 . 0 0 "[ . 1 . ]" 1
515 1 25 A H1' 1 25 A H2 4.400 3.500 5.300 4.758 4.722 4.783 . 0 0 "[ . 1 . ]" 1
516 1 25 A H1' 1 25 A H8 3.700 3.000 4.400 3.684 3.661 3.710 . 0 0 "[ . 1 . ]" 1
517 1 25 A H1' 1 26 G H8 3.600 2.900 4.300 3.753 3.440 3.846 . 0 0 "[ . 1 . ]" 1
518 1 25 A H1' 1 26 G H1' 4.500 3.500 6.500 5.443 5.048 6.101 . 0 0 "[ . 1 . ]" 1
519 1 25 A H2 1 25 A H2' 4.100 3.300 4.900 4.808 4.690 4.918 0.018 13 0 "[ . 1 . ]" 1
520 1 25 A H2' 1 25 A H8 4.200 3.400 5.000 3.777 3.717 3.831 . 0 0 "[ . 1 . ]" 1
521 1 25 A H1' 1 25 A H2' 2.900 2.500 4.500 2.843 2.831 2.856 . 0 0 "[ . 1 . ]" 1
522 1 25 A H2' 1 26 G H8 2.200 . 2.600 2.201 2.158 2.379 . 0 0 "[ . 1 . ]" 1
523 1 24 C H1' 1 25 A H3' 5.300 4.200 6.400 6.415 6.395 6.453 0.053 8 0 "[ . 1 . ]" 1
524 1 25 A H3' 1 25 A H8 2.100 . 3.500 3.601 3.554 3.631 0.131 11 0 "[ . 1 . ]" 1
525 1 25 A H1' 1 25 A H3' 3.500 2.800 4.200 3.931 3.918 3.943 . 0 0 "[ . 1 . ]" 1
526 1 25 A H4' 1 25 A H8 4.100 3.300 4.900 4.511 4.487 4.543 . 0 0 "[ . 1 . ]" 1
527 1 25 A H1' 1 25 A H4' 3.600 2.900 4.300 3.124 3.074 3.190 . 0 0 "[ . 1 . ]" 1
528 1 25 A H2' 1 25 A H4' 3.500 2.500 4.500 3.869 3.852 3.888 . 0 0 "[ . 1 . ]" 1
529 1 24 C H6 1 25 A Q5' 5.500 4.400 6.600 5.773 5.735 5.814 . 0 0 "[ . 1 . ]" 1
530 1 25 A Q5' 1 25 A H8 3.800 3.000 4.600 3.980 3.879 4.023 . 0 0 "[ . 1 . ]" 1
531 1 3 G H1 1 26 G H1 2.900 2.500 5.500 3.576 3.167 3.822 . 0 0 "[ . 1 . ]" 1
532 1 4 C H5 1 26 G H1 3.600 2.500 5.500 5.269 5.073 5.319 . 0 0 "[ . 1 . ]" 1
533 1 4 C H1' 1 26 G H1 3.000 2.500 5.500 4.627 4.564 5.071 . 0 0 "[ . 1 . ]" 1
534 1 4 C H41 1 26 G H1 2.400 . 4.500 3.170 2.643 3.232 . 0 0 "[ . 1 . ]" 1
535 1 4 C H42 1 26 G H1 2.700 . 4.500 4.550 4.118 4.604 0.104 16 0 "[ . 1 . ]" 1
536 1 5 U H6 1 26 G H1 3.800 3.500 6.500 5.929 5.708 6.124 . 0 0 "[ . 1 . ]" 1
537 1 26 G H1 1 27 C H6 4.100 3.500 6.500 6.353 6.033 6.535 0.035 5 0 "[ . 1 . ]" 1
538 1 25 A H8 1 26 G H8 4.800 3.800 5.800 5.897 5.863 5.936 0.136 6 0 "[ . 1 . ]" 1
539 1 26 G H8 1 27 C H6 4.500 3.600 5.400 5.514 5.486 5.563 0.163 18 0 "[ . 1 . ]" 1
540 1 25 A H2 1 26 G H1' 4.600 3.700 5.500 4.994 4.731 5.408 . 0 0 "[ . 1 . ]" 1
541 1 26 G H1' 1 26 G H8 2.900 2.300 3.500 3.609 3.577 3.669 0.169 5 0 "[ . 1 . ]" 1
542 1 26 G H1' 1 26 G H2' 3.000 . 3.500 2.690 2.677 2.713 . 0 0 "[ . 1 . ]" 1
543 1 26 G H1' 1 27 C H6 4.900 4.500 6.500 4.801 4.753 4.857 . 0 0 "[ . 1 . ]" 1
544 1 26 G H1' 1 27 C H1' 4.900 3.900 5.900 5.496 5.283 5.762 . 0 0 "[ . 1 . ]" 1
545 1 26 G H2' 1 26 G H8 4.500 3.500 5.500 4.090 3.921 4.179 . 0 0 "[ . 1 . ]" 1
546 1 26 G H2' 1 27 C H5 3.300 2.500 4.500 3.335 3.189 3.456 . 0 0 "[ . 1 . ]" 1
547 1 26 G H2' 1 27 C H6 3.000 . 3.500 2.123 2.096 2.163 . 0 0 "[ . 1 . ]" 1
548 1 26 G H3' 1 26 G H8 2.800 . 3.500 3.162 2.889 3.285 . 0 0 "[ . 1 . ]" 1
549 1 26 G H1' 1 26 G H3' 3.500 2.500 4.500 3.830 3.809 3.858 . 0 0 "[ . 1 . ]" 1
550 1 26 G H3' 1 26 G Q5' 3.500 2.500 4.500 2.625 2.489 2.958 0.011 11 0 "[ . 1 . ]" 1
551 1 26 G H3' 1 27 C H6 2.200 . 3.500 2.952 2.781 3.269 . 0 0 "[ . 1 . ]" 1
552 1 26 G H4' 1 26 G H8 2.500 . 4.500 4.193 4.069 4.254 . 0 0 "[ . 1 . ]" 1
553 1 26 G H1' 1 26 G H4' 3.200 2.500 4.500 3.515 3.469 3.580 . 0 0 "[ . 1 . ]" 1
554 1 25 A H1' 1 26 G Q5' 3.700 3.500 6.500 5.186 4.281 5.461 . 0 0 "[ . 1 . ]" 1
555 1 26 G Q5' 1 26 G H8 3.600 2.900 4.300 3.294 2.712 3.475 0.188 13 0 "[ . 1 . ]" 1
556 1 26 G H8 1 27 C H5 4.200 3.400 5.000 4.625 4.529 4.752 . 0 0 "[ . 1 . ]" 1
557 1 26 G H1' 1 27 C H5 4.600 3.700 5.500 5.590 5.547 5.638 0.138 8 0 "[ . 1 . ]" 1
558 1 27 C H5 1 27 C H6 2.500 . 3.500 2.435 2.428 2.439 . 0 0 "[ . 1 . ]" 1
559 1 27 C H5 1 28 C H5 3.600 2.900 4.300 3.435 3.296 3.559 . 0 0 "[ . 1 . ]" 1
560 1 27 C H5 1 28 C H6 4.200 3.400 5.000 5.029 4.963 5.093 0.093 8 0 "[ . 1 . ]" 1
561 1 27 C H5 1 28 C H1' 5.400 4.300 7.000 7.065 7.022 7.109 0.109 7 0 "[ . 1 . ]" 1
562 1 27 C H6 1 28 C H6 3.700 3.000 4.400 4.136 4.054 4.227 . 0 0 "[ . 1 . ]" 1
563 1 27 C H1' 1 27 C H5 4.500 3.600 5.400 5.332 5.301 5.356 . 0 0 "[ . 1 . ]" 1
564 1 27 C H1' 1 27 C H6 3.000 2.500 4.500 3.623 3.585 3.655 . 0 0 "[ . 1 . ]" 1
565 1 27 C H1' 1 28 C H6 3.000 2.500 4.500 4.526 4.443 4.569 0.069 5 0 "[ . 1 . ]" 1
566 1 27 C H2' 1 28 C H5 4.200 2.500 4.500 3.949 3.874 4.031 . 0 0 "[ . 1 . ]" 1
567 1 27 C H2' 1 28 C H6 2.500 . 3.500 2.058 2.031 2.087 . 0 0 "[ . 1 . ]" 1
568 1 27 C H2' 1 28 C H1' 3.000 2.500 4.500 3.507 3.333 3.746 . 0 0 "[ . 1 . ]" 1
569 1 27 C H3' 1 27 C H6 2.000 . 2.500 2.478 2.360 2.557 0.057 6 0 "[ . 1 . ]" 1
570 1 27 C H3' 1 28 C H5 4.200 3.000 5.500 3.073 2.965 3.330 0.035 14 0 "[ . 1 . ]" 1
571 1 27 C H3' 1 28 C H6 2.800 . 3.500 2.478 2.335 2.696 . 0 0 "[ . 1 . ]" 1
572 1 27 C H5 1 27 C Q5' 4.900 3.900 5.900 4.673 4.542 4.788 . 0 0 "[ . 1 . ]" 1
573 1 27 C Q5' 1 27 C H6 3.200 2.600 3.800 2.753 2.613 2.857 . 0 0 "[ . 1 . ]" 1
574 1 27 C H1' 1 27 C Q5' 4.500 3.500 5.500 4.377 4.318 4.437 . 0 0 "[ . 1 . ]" 1
575 1 27 C H1' 1 28 C H5 4.500 3.500 5.500 5.657 5.613 5.706 0.206 7 0 "[ . 1 . ]" 1
576 1 28 C H5 1 28 C H6 2.100 . 2.500 2.426 2.418 2.435 . 0 0 "[ . 1 . ]" 1
577 1 28 C H1' 1 28 C H6 3.500 2.500 4.500 3.610 3.577 3.637 . 0 0 "[ . 1 . ]" 1
578 1 28 C H1' 1 29 C H5 5.500 4.500 6.000 5.600 5.219 5.929 . 0 0 "[ . 1 . ]" 1
579 1 28 C H1' 1 29 C H6 4.500 3.500 5.500 5.505 5.296 5.563 0.063 1 0 "[ . 1 . ]" 1
580 1 28 C H1' 1 28 C H2' 2.500 . 3.500 2.756 2.743 2.769 . 0 0 "[ . 1 . ]" 1
581 1 28 C H2' 1 29 C H5 4.300 3.400 5.200 3.341 3.300 3.370 0.100 11 0 "[ . 1 . ]" 1
582 1 28 C H3' 1 28 C H5 2.700 2.500 4.500 4.560 4.526 4.594 0.094 6 0 "[ . 1 . ]" 1
583 1 28 C H3' 1 28 C H6 1.900 . 3.500 2.686 2.578 2.772 . 0 0 "[ . 1 . ]" 1
584 1 28 C H1' 1 28 C H3' 3.500 2.500 4.500 3.835 3.824 3.857 . 0 0 "[ . 1 . ]" 1
585 1 28 C H3' 1 29 C H5 2.800 . 4.000 3.747 3.564 3.937 . 0 0 "[ . 1 . ]" 1
586 1 29 C H5 1 29 C H6 2.200 . 2.600 2.449 2.445 2.454 . 0 0 "[ . 1 . ]" 1
587 1 29 C H5 1 30 C H5 3.800 3.000 4.600 3.525 3.412 3.666 . 0 0 "[ . 1 . ]" 1
588 1 29 C H1' 1 29 C H5 5.500 4.500 6.000 5.424 5.419 5.428 . 0 0 "[ . 1 . ]" 1
589 1 29 C H1' 1 29 C H6 3.500 2.500 4.500 3.722 3.708 3.732 . 0 0 "[ . 1 . ]" 1
590 1 29 C H1' 1 30 C H5 5.500 4.500 6.000 6.009 5.967 6.049 0.049 6 0 "[ . 1 . ]" 1
591 1 29 C H1' 1 30 C H6 3.500 2.500 4.500 4.571 4.528 4.613 0.113 15 0 "[ . 1 . ]" 1
592 1 29 C H2' 1 29 C H6 2.500 . 4.000 3.191 2.998 3.356 . 0 0 "[ . 1 . ]" 1
593 1 29 C H1' 1 29 C H2' 3.000 2.500 4.500 2.737 2.702 2.767 . 0 0 "[ . 1 . ]" 1
594 1 29 C H2' 1 30 C H6 2.500 . 3.500 2.128 2.116 2.149 . 0 0 "[ . 1 . ]" 1
595 1 30 C H5 1 30 C H6 2.200 . 3.500 2.439 2.435 2.445 . 0 0 "[ . 1 . ]" 1
596 1 29 C H5 1 30 C H1' 6.000 5.000 6.500 6.556 6.527 6.595 0.095 4 0 "[ . 1 . ]" 1
597 1 30 C H1' 1 30 C H6 3.500 2.500 4.500 3.668 3.648 3.685 . 0 0 "[ . 1 . ]" 1
598 1 29 C H1' 1 30 C H2' 5.000 4.000 6.000 6.070 6.014 6.109 0.109 10 0 "[ . 1 . ]" 1
599 1 30 C H2' 1 30 C H5 4.300 3.400 5.200 4.810 4.769 4.878 . 0 0 "[ . 1 . ]" 1
600 1 30 C H2' 1 30 C H6 3.500 2.800 4.200 3.278 3.204 3.375 . 0 0 "[ . 1 . ]" 1
601 1 30 C H1' 1 30 C H2' 2.300 . 2.800 2.813 2.797 2.824 0.024 4 0 "[ . 1 . ]" 1
602 1 29 C H6 1 30 C H3' 5.500 4.500 6.500 6.471 6.371 6.532 0.032 6 0 "[ . 1 . ]" 1
603 1 30 C H4' 1 30 C H5 5.700 4.500 6.500 6.584 6.548 6.607 0.107 8 0 "[ . 1 . ]" 1
604 1 30 C H4' 1 30 C H6 3.600 2.900 4.300 4.180 4.128 4.209 . 0 0 "[ . 1 . ]" 1
605 1 30 C H1' 1 30 C H4' 3.500 2.500 4.500 3.072 3.014 3.164 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 430
_Distance_constraint_stats_list.Viol_total 371.257
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0185
_Distance_constraint_stats_list.Viol_average_violations_only 0.0480
_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 0.659 0.067 15 0 "[ . 1 . ]"
1 2 G 0.389 0.057 17 0 "[ . 1 . ]"
1 3 G 0.527 0.044 16 0 "[ . 1 . ]"
1 4 C 4.093 0.145 16 0 "[ . 1 . ]"
1 5 U 1.170 0.058 7 0 "[ . 1 . ]"
1 6 G 1.257 0.071 10 0 "[ . 1 . ]"
1 7 U 0.692 0.072 18 0 "[ . 1 . ]"
1 8 U 1.206 0.114 14 0 "[ . 1 . ]"
1 9 U 2.582 0.074 11 0 "[ . 1 . ]"
1 10 U 2.114 0.101 9 0 "[ . 1 . ]"
1 11 U 0.048 0.015 17 0 "[ . 1 . ]"
1 12 C 2.952 0.156 5 0 "[ . 1 . ]"
1 13 U 2.935 0.117 12 0 "[ . 1 . ]"
1 17 U 2.935 0.117 12 0 "[ . 1 . ]"
1 18 G 2.952 0.156 5 0 "[ . 1 . ]"
1 19 A 0.048 0.015 17 0 "[ . 1 . ]"
1 20 C 2.114 0.101 9 0 "[ . 1 . ]"
1 21 U 2.582 0.074 11 0 "[ . 1 . ]"
1 22 U 1.206 0.114 14 0 "[ . 1 . ]"
1 23 U 0.692 0.072 18 0 "[ . 1 . ]"
1 24 C 1.257 0.071 10 0 "[ . 1 . ]"
1 25 A 1.170 0.058 7 0 "[ . 1 . ]"
1 26 G 4.093 0.145 16 0 "[ . 1 . ]"
1 27 C 0.527 0.044 16 0 "[ . 1 . ]"
1 28 C 0.389 0.057 17 0 "[ . 1 . ]"
1 29 C 0.659 0.067 15 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1 1 29 C N3 2.000 . 2.200 1.889 1.817 2.065 . 0 0 "[ . 1 . ]" 2
2 1 1 G N1 1 29 C N3 2.900 2.600 3.200 2.866 2.800 3.000 . 0 0 "[ . 1 . ]" 2
3 1 1 G O6 1 29 C H41 2.000 . 2.200 1.815 1.733 2.166 0.067 15 0 "[ . 1 . ]" 2
4 1 1 G O6 1 29 C N4 2.900 2.600 3.200 2.797 2.704 3.151 . 0 0 "[ . 1 . ]" 2
5 1 1 G H21 1 29 C O2 2.000 . 2.200 1.860 1.749 2.112 0.051 18 0 "[ . 1 . ]" 2
6 1 1 G N2 1 29 C O2 2.900 2.600 3.200 2.830 2.706 3.105 . 0 0 "[ . 1 . ]" 2
7 1 2 G H1 1 28 C N3 2.000 . 2.200 1.987 1.874 2.099 . 0 0 "[ . 1 . ]" 2
8 1 2 G N1 1 28 C N3 2.900 2.600 3.200 2.976 2.859 3.102 . 0 0 "[ . 1 . ]" 2
9 1 2 G O6 1 28 C H41 2.000 . 2.200 2.091 1.907 2.224 0.024 7 0 "[ . 1 . ]" 2
10 1 2 G O6 1 28 C N4 2.900 2.600 3.200 3.070 2.874 3.208 0.008 7 0 "[ . 1 . ]" 2
11 1 2 G H21 1 28 C O2 2.000 . 2.200 1.798 1.743 1.883 0.057 17 0 "[ . 1 . ]" 2
12 1 2 G N2 1 28 C O2 2.900 2.600 3.200 2.785 2.636 2.887 . 0 0 "[ . 1 . ]" 2
13 1 3 G H1 1 27 C N3 2.000 . 2.200 2.039 1.958 2.181 . 0 0 "[ . 1 . ]" 2
14 1 3 G N1 1 27 C N3 2.900 2.600 3.200 3.010 2.929 3.134 . 0 0 "[ . 1 . ]" 2
15 1 3 G O6 1 27 C H41 2.000 . 2.200 1.862 1.757 2.109 0.043 18 0 "[ . 1 . ]" 2
16 1 3 G O6 1 27 C N4 2.900 2.600 3.200 2.777 2.640 3.058 . 0 0 "[ . 1 . ]" 2
17 1 3 G H21 1 27 C O2 2.000 . 2.200 2.204 2.126 2.244 0.044 16 0 "[ . 1 . ]" 2
18 1 3 G N2 1 27 C O2 2.900 2.600 3.200 3.155 3.068 3.216 0.016 16 0 "[ . 1 . ]" 2
19 1 4 C N3 1 26 G H1 2.000 . 2.200 1.964 1.951 1.988 . 0 0 "[ . 1 . ]" 2
20 1 4 C N3 1 26 G N1 2.900 2.600 3.200 2.851 2.814 2.916 . 0 0 "[ . 1 . ]" 2
21 1 4 C H41 1 26 G O6 2.000 . 2.200 1.676 1.655 1.703 0.145 16 0 "[ . 1 . ]" 2
22 1 4 C N4 1 26 G O6 2.900 2.600 3.200 2.533 2.495 2.598 0.105 17 0 "[ . 1 . ]" 2
23 1 4 C O2 1 26 G H21 2.000 . 2.200 2.231 2.171 2.260 0.060 11 0 "[ . 1 . ]" 2
24 1 4 C O2 1 26 G N2 2.900 2.600 3.200 3.189 3.130 3.228 0.028 5 0 "[ . 1 . ]" 2
25 1 5 U H3 1 25 A N1 2.000 . 2.200 2.231 2.166 2.257 0.057 5 0 "[ . 1 . ]" 2
26 1 5 U N3 1 25 A N1 2.900 2.600 3.200 3.122 3.077 3.138 . 0 0 "[ . 1 . ]" 2
27 1 5 U O4 1 25 A H61 2.000 . 2.200 2.232 2.198 2.258 0.058 7 0 "[ . 1 . ]" 2
28 1 5 U O4 1 25 A N6 2.900 2.600 3.200 3.110 3.078 3.145 . 0 0 "[ . 1 . ]" 2
29 1 6 G H1 1 24 C N3 2.000 . 2.200 2.004 1.919 2.060 . 0 0 "[ . 1 . ]" 2
30 1 6 G N1 1 24 C N3 2.900 2.600 3.200 2.894 2.823 2.941 . 0 0 "[ . 1 . ]" 2
31 1 6 G O6 1 24 C H41 2.000 . 2.200 2.118 1.971 2.216 0.016 16 0 "[ . 1 . ]" 2
32 1 6 G O6 1 24 C N4 2.900 2.600 3.200 3.096 2.941 3.198 . 0 0 "[ . 1 . ]" 2
33 1 6 G H21 1 24 C O2 2.000 . 2.200 1.752 1.729 1.792 0.071 10 0 "[ . 1 . ]" 2
34 1 6 G N2 1 24 C O2 2.900 2.600 3.200 2.584 2.554 2.639 0.046 3 0 "[ . 1 . ]" 2
35 1 7 U H3 1 23 U O4 2.000 . 2.500 1.844 1.791 2.016 0.009 12 0 "[ . 1 . ]" 2
36 1 7 U N3 1 23 U O4 3.000 2.800 3.500 2.772 2.728 2.891 0.072 18 0 "[ . 1 . ]" 2
37 1 7 U O2 1 23 U H3 2.000 . 2.500 1.897 1.809 1.999 . 0 0 "[ . 1 . ]" 2
38 1 7 U O2 1 23 U N3 3.000 2.800 3.500 2.831 2.783 2.912 0.017 8 0 "[ . 1 . ]" 2
39 1 8 U H3 1 22 U O2 2.000 . 2.200 1.745 1.686 1.793 0.114 14 0 "[ . 1 . ]" 2
40 1 8 U N3 1 22 U O2 2.900 2.600 3.200 2.685 2.642 2.729 . 0 0 "[ . 1 . ]" 2
41 1 8 U O4 1 22 U H3 2.000 . 2.200 1.880 1.742 2.125 0.058 17 0 "[ . 1 . ]" 2
42 1 8 U O4 1 22 U N3 2.900 2.600 3.200 2.823 2.672 3.011 . 0 0 "[ . 1 . ]" 2
43 1 9 U H3 1 21 U O2 2.000 . 2.200 2.255 2.239 2.274 0.074 11 0 "[ . 1 . ]" 2
44 1 9 U N3 1 21 U O2 2.900 2.600 3.200 3.244 3.225 3.266 0.066 15 0 "[ . 1 . ]" 2
45 1 9 U O4 1 21 U H3 2.000 . 2.200 1.755 1.733 1.783 0.067 11 0 "[ . 1 . ]" 2
46 1 9 U O4 1 21 U N3 2.900 2.600 3.200 2.683 2.633 2.740 . 0 0 "[ . 1 . ]" 2
47 1 10 U O4 1 20 C H41 2.000 . 2.200 2.240 2.211 2.263 0.063 12 0 "[ . 1 . ]" 2
48 1 10 U O4 1 20 C N4 2.900 2.600 3.200 3.217 3.201 3.231 0.031 9 0 "[ . 1 . ]" 2
49 1 10 U H3 1 20 C N3 3.830 3.530 4.130 3.730 3.673 3.824 . 0 0 "[ . 1 . ]" 2
50 1 10 U N3 1 20 C N3 4.730 4.530 4.930 4.469 4.429 4.522 0.101 9 0 "[ . 1 . ]" 2
51 1 11 U H3 1 19 A N1 2.000 . 2.200 2.022 1.785 2.210 0.015 17 0 "[ . 1 . ]" 2
52 1 11 U N3 1 19 A N1 2.900 2.600 3.200 3.024 2.773 3.194 . 0 0 "[ . 1 . ]" 2
53 1 11 U O4 1 19 A H61 2.000 . 2.200 2.012 1.797 2.212 0.012 12 0 "[ . 1 . ]" 2
54 1 11 U O4 1 19 A N6 2.900 2.600 3.200 3.005 2.779 3.208 0.008 12 0 "[ . 1 . ]" 2
55 1 12 C N3 1 18 G H1 2.000 . 2.200 1.839 1.749 1.924 0.051 1 0 "[ . 1 . ]" 2
56 1 12 C N3 1 18 G N1 2.900 2.600 3.200 2.841 2.743 2.928 . 0 0 "[ . 1 . ]" 2
57 1 12 C H41 1 18 G O6 2.000 . 2.200 1.671 1.644 1.704 0.156 5 0 "[ . 1 . ]" 2
58 1 12 C N4 1 18 G O6 2.900 2.600 3.200 2.576 2.544 2.601 0.056 3 0 "[ . 1 . ]" 2
59 1 12 C O2 1 18 G H21 2.000 . 2.200 2.023 1.789 2.196 0.011 1 0 "[ . 1 . ]" 2
60 1 12 C O2 1 18 G N2 2.900 2.600 3.200 3.009 2.770 3.187 . 0 0 "[ . 1 . ]" 2
61 1 13 U O4 1 17 U HO2' 2.000 . 2.200 2.300 2.288 2.317 0.117 12 0 "[ . 1 . ]" 2
62 1 13 U O4 1 17 U O2' 2.900 2.600 3.200 3.263 3.252 3.281 0.081 12 0 "[ . 1 . ]" 2
stop_
save_
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