NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398720 |
1tqr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tqr
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 388
_Distance_constraint_stats_list.Viol_count 505
_Distance_constraint_stats_list.Viol_total 296.529
_Distance_constraint_stats_list.Viol_max 0.501
_Distance_constraint_stats_list.Viol_rms 0.0391
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0652
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.167 0.077 6 0 "[ . ]"
1 2 DG 1.070 0.127 2 0 "[ . ]"
1 3 DA 0.477 0.066 3 0 "[ . ]"
1 4 DA 0.505 0.066 3 0 "[ . ]"
1 5 DA 0.583 0.084 3 0 "[ . ]"
1 6 DA 2.085 0.142 5 0 "[ . ]"
1 7 DT 2.013 0.144 2 0 "[ . ]"
1 8 DC 1.610 0.144 2 0 "[ . ]"
1 9 DT 1.168 0.081 2 0 "[ . ]"
1 10 DC 1.489 0.094 7 0 "[ . ]"
1 11 DT 0.331 0.048 2 0 "[ . ]"
1 12 DA 1.173 0.082 2 0 "[ . ]"
1 13 DG 0.939 0.118 7 0 "[ . ]"
1 14 DC 4.261 0.242 8 0 "[ . ]"
1 15 DA 1.122 0.066 4 0 "[ . ]"
1 16 DG 9.890 0.501 8 1 "[ . + ]"
1 17 DT 2.691 0.270 8 0 "[ . ]"
2 1 DA 1.956 0.142 9 0 "[ . ]"
2 2 DC 9.447 0.501 8 1 "[ . + ]"
2 3 DT 0.441 0.071 8 0 "[ . ]"
2 4 DG 4.305 0.242 8 0 "[ . ]"
2 5 DC 0.959 0.118 7 0 "[ . ]"
2 6 DT 0.006 0.006 8 0 "[ . ]"
2 7 DA 0.853 0.098 7 0 "[ . ]"
2 8 DG 1.921 0.180 7 0 "[ . ]"
2 9 DA 1.433 0.180 7 0 "[ . ]"
2 10 DG 1.390 0.164 8 0 "[ . ]"
2 11 DA 1.925 0.164 8 0 "[ . ]"
2 12 DT 0.309 0.060 8 0 "[ . ]"
2 13 DT 0.389 0.071 5 0 "[ . ]"
2 14 DT 0.214 0.034 7 0 "[ . ]"
2 15 DT 0.530 0.059 7 0 "[ . ]"
2 16 DC 1.684 0.127 2 0 "[ . ]"
2 17 DC 0.425 0.095 3 0 "[ . ]"
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 2 14 DT H1' 2 15 DT H6 3.200 2.600 3.800 3.536 3.443 3.722 . 0 0 "[ . ]" 1
2 2 5 DC H1' 2 6 DT H6 3.400 2.700 4.100 3.393 3.242 3.467 . 0 0 "[ . ]" 1
3 2 16 DC H1' 2 16 DC H6 3.200 2.600 3.800 3.698 3.679 3.712 . 0 0 "[ . ]" 1
4 1 1 DG H1' 1 1 DG H8 3.700 3.000 4.400 3.885 3.878 3.889 . 0 0 "[ . ]" 1
5 1 2 DG H1' 1 3 DA H8 3.100 2.500 3.700 3.392 3.140 3.618 . 0 0 "[ . ]" 1
6 1 3 DA H1' 1 3 DA H8 3.900 3.100 4.700 3.884 3.876 3.891 . 0 0 "[ . ]" 1
7 1 3 DA H1' 1 4 DA H8 2.800 2.200 3.400 3.402 3.321 3.466 0.066 3 0 "[ . ]" 1
8 1 5 DA H1' 1 5 DA H8 3.300 2.600 4.000 3.879 3.868 3.890 . 0 0 "[ . ]" 1
9 1 5 DA H1' 1 6 DA H8 3.100 2.500 3.700 3.568 3.244 3.719 0.019 5 0 "[ . ]" 1
10 1 6 DA H1' 1 6 DA H8 4.000 3.200 4.800 3.867 3.856 3.874 . 0 0 "[ . ]" 1
11 1 6 DA H1' 1 7 DT H6 2.900 2.300 3.500 3.247 3.189 3.328 . 0 0 "[ . ]" 1
12 1 7 DT H1' 1 7 DT H6 4.100 3.300 4.900 3.723 3.718 3.729 . 0 0 "[ . ]" 1
13 1 10 DC H1' 1 10 DC H6 3.700 3.000 4.400 3.724 3.712 3.730 . 0 0 "[ . ]" 1
14 1 11 DT H1' 1 11 DT H6 3.600 2.900 4.300 3.710 3.706 3.714 . 0 0 "[ . ]" 1
15 1 11 DT H1' 1 12 DA H8 3.100 2.500 3.700 3.465 3.156 3.748 0.048 8 0 "[ . ]" 1
16 1 12 DA H1' 1 12 DA H8 3.200 2.600 3.800 3.867 3.849 3.874 0.074 4 0 "[ . ]" 1
17 1 12 DA H1' 1 13 DG H8 3.100 2.500 3.700 3.299 3.071 3.518 . 0 0 "[ . ]" 1
18 1 13 DG H1' 1 14 DC H6 3.000 2.400 3.600 3.559 3.406 3.620 0.020 2 0 "[ . ]" 1
19 1 15 DA H1' 1 15 DA H8 3.300 2.600 4.000 3.875 3.866 3.879 . 0 0 "[ . ]" 1
20 1 15 DA H1' 1 16 DG H8 3.000 2.400 3.600 3.623 3.607 3.635 0.035 9 0 "[ . ]" 1
21 1 16 DG H1' 1 17 DT H6 3.100 2.500 3.700 3.464 3.426 3.559 . 0 0 "[ . ]" 1
22 1 17 DT H1' 1 17 DT H6 3.700 3.000 4.400 3.708 3.704 3.710 . 0 0 "[ . ]" 1
23 2 1 DA H1' 2 1 DA H8 3.300 2.600 4.000 3.887 3.882 3.893 . 0 0 "[ . ]" 1
24 2 2 DC H1' 2 3 DT H6 3.100 2.500 3.700 3.132 3.000 3.246 . 0 0 "[ . ]" 1
25 2 3 DT H1' 2 3 DT H6 3.700 3.000 4.400 3.706 3.700 3.712 . 0 0 "[ . ]" 1
26 2 3 DT H1' 2 4 DG H8 2.900 2.300 3.500 3.419 3.204 3.511 0.011 3 0 "[ . ]" 1
27 2 4 DG H1' 2 4 DG H8 4.100 3.300 4.900 3.870 3.855 3.889 . 0 0 "[ . ]" 1
28 2 8 DG H1' 2 8 DG H8 3.900 3.100 4.700 3.890 3.880 3.895 . 0 0 "[ . ]" 1
29 2 8 DG H1' 2 9 DA H8 3.000 2.400 3.600 3.333 3.199 3.456 . 0 0 "[ . ]" 1
30 2 9 DA H1' 2 9 DA H8 3.600 2.900 4.300 3.887 3.880 3.897 . 0 0 "[ . ]" 1
31 2 9 DA H1' 2 10 DG H8 3.200 2.600 3.800 3.676 3.509 3.815 0.015 5 0 "[ . ]" 1
32 2 11 DA H1' 2 11 DA H8 3.400 2.700 4.100 3.891 3.888 3.901 . 0 0 "[ . ]" 1
33 2 11 DA H1' 2 12 DT H6 2.800 2.200 3.400 3.405 3.250 3.460 0.060 8 0 "[ . ]" 1
34 2 12 DT H1' 2 12 DT H6 3.700 3.000 4.400 3.719 3.714 3.722 . 0 0 "[ . ]" 1
35 2 13 DT H1' 2 13 DT H6 3.700 3.000 4.400 3.716 3.711 3.720 . 0 0 "[ . ]" 1
36 2 13 DT H1' 2 14 DT H6 2.900 2.300 3.500 3.220 2.976 3.471 . 0 0 "[ . ]" 1
37 2 14 DT H1' 2 14 DT H6 3.700 3.000 4.400 3.711 3.706 3.720 . 0 0 "[ . ]" 1
38 2 15 DT H1' 2 15 DT H6 3.700 3.000 4.400 3.716 3.710 3.721 . 0 0 "[ . ]" 1
39 2 16 DC H1' 2 17 DC H6 3.700 3.000 4.400 3.153 2.927 3.433 0.073 6 0 "[ . ]" 1
40 2 17 DC H1' 2 17 DC H6 4.000 3.200 4.800 3.690 3.651 3.714 . 0 0 "[ . ]" 1
41 1 1 DG H2' 1 1 DG H8 2.100 . 2.500 2.497 2.425 2.577 0.077 6 0 "[ . ]" 1
42 1 2 DG H2'' 1 2 DG H8 3.700 3.000 4.400 3.789 3.727 3.904 . 0 0 "[ . ]" 1
43 1 3 DA H2'' 1 3 DA H8 3.600 2.900 4.300 3.832 3.691 4.085 . 0 0 "[ . ]" 1
44 1 3 DA H2' 1 3 DA H8 2.400 . 2.900 2.428 2.254 2.722 . 0 0 "[ . ]" 1
45 1 3 DA H2'' 1 4 DA H8 2.300 . 2.800 2.070 1.969 2.230 . 0 0 "[ . ]" 1
46 1 4 DA H2' 1 4 DA H8 2.100 . 2.500 2.417 2.150 2.553 0.053 2 0 "[ . ]" 1
47 1 4 DA H2'' 1 4 DA H8 3.600 2.900 4.300 3.846 3.611 3.971 . 0 0 "[ . ]" 1
48 1 4 DA H2'' 1 5 DA H8 2.300 . 2.800 2.091 1.894 2.667 . 0 0 "[ . ]" 1
49 1 5 DA H2' 1 5 DA H8 2.200 . 2.600 2.554 2.288 2.684 0.084 3 0 "[ . ]" 1
50 1 5 DA H2'' 1 5 DA H8 3.400 2.700 4.100 3.989 3.739 4.085 . 0 0 "[ . ]" 1
51 1 5 DA H2' 1 6 DA H8 3.600 2.900 4.300 3.059 2.862 3.436 0.038 6 0 "[ . ]" 1
52 1 6 DA H2'' 1 6 DA H8 3.400 2.700 4.100 4.098 4.061 4.128 0.028 5 0 "[ . ]" 1
53 1 6 DA H2' 1 6 DA H8 2.200 . 2.600 2.706 2.661 2.742 0.142 5 0 "[ . ]" 1
54 1 6 DA H2'' 1 7 DT H6 2.400 . 2.900 2.014 1.968 2.048 . 0 0 "[ . ]" 1
55 1 7 DT H2' 1 7 DT H6 1.900 . 2.300 2.273 2.193 2.342 0.042 6 0 "[ . ]" 1
56 1 7 DT H2'' 1 7 DT H6 4.100 3.300 4.900 3.744 3.656 3.796 . 0 0 "[ . ]" 1
57 1 7 DT H2' 1 8 DC H6 3.300 2.600 4.000 2.849 2.586 3.343 0.014 2 0 "[ . ]" 1
58 1 8 DC H2' 1 9 DT H6 3.100 2.500 3.700 3.692 3.436 3.746 0.046 3 0 "[ . ]" 1
59 1 9 DT H2' 1 9 DT H6 1.800 . 2.200 2.207 2.137 2.260 0.060 2 0 "[ . ]" 1
60 1 9 DT H2'' 1 9 DT H6 3.400 2.700 4.100 3.626 3.559 3.679 . 0 0 "[ . ]" 1
61 1 9 DT H2' 1 10 DC H6 3.800 3.000 4.600 3.243 3.030 3.421 . 0 0 "[ . ]" 1
62 1 10 DC H2' 1 10 DC H6 1.900 . 2.300 2.060 1.967 2.126 . 0 0 "[ . ]" 1
63 1 10 DC H2'' 1 10 DC H6 2.900 2.300 3.500 3.455 3.361 3.523 0.023 6 0 "[ . ]" 1
64 1 11 DT H2'' 1 11 DT H6 3.600 2.900 4.300 3.665 3.581 3.785 . 0 0 "[ . ]" 1
65 1 11 DT H2' 1 12 DA H8 3.700 3.000 4.400 3.273 3.060 3.419 . 0 0 "[ . ]" 1
66 1 11 DT H2'' 1 12 DA H8 2.300 . 2.800 2.167 2.010 2.376 . 0 0 "[ . ]" 1
67 1 12 DA H2'' 1 12 DA H8 3.600 2.900 4.300 3.762 3.499 3.899 . 0 0 "[ . ]" 1
68 1 12 DA H2'' 1 13 DG H8 2.300 . 2.800 2.241 2.153 2.358 . 0 0 "[ . ]" 1
69 1 13 DG H2' 1 13 DG H8 2.200 . 2.600 2.330 2.200 2.449 . 0 0 "[ . ]" 1
70 1 13 DG H2'' 1 13 DG H8 3.700 3.000 4.400 3.759 3.672 3.830 . 0 0 "[ . ]" 1
71 1 13 DG H2' 1 14 DC H6 3.800 3.000 4.600 3.891 3.772 4.048 . 0 0 "[ . ]" 1
72 1 13 DG H2'' 1 14 DC H6 2.300 . 2.800 2.232 2.145 2.389 . 0 0 "[ . ]" 1
73 1 14 DC H2'' 1 14 DC H6 4.000 3.200 4.800 3.529 3.377 3.726 . 0 0 "[ . ]" 1
74 1 14 DC H2' 1 14 DC H6 1.900 . 2.300 2.104 1.970 2.307 0.007 8 0 "[ . ]" 1
75 1 14 DC H2' 1 15 DA H8 3.700 3.000 4.400 3.164 3.048 3.305 . 0 0 "[ . ]" 1
76 1 14 DC H2'' 1 15 DA H8 2.200 . 2.600 1.976 1.880 2.087 . 0 0 "[ . ]" 1
77 1 15 DA H2' 1 15 DA H8 2.100 . 2.500 2.536 2.523 2.548 0.048 1 0 "[ . ]" 1
78 1 15 DA H2'' 1 15 DA H8 3.600 2.900 4.300 3.969 3.952 3.988 . 0 0 "[ . ]" 1
79 1 15 DA H2'' 1 16 DG H8 2.300 . 2.800 2.654 2.602 2.694 . 0 0 "[ . ]" 1
80 1 16 DG H2'' 1 16 DG H8 3.700 3.000 4.400 3.719 3.661 3.756 . 0 0 "[ . ]" 1
81 1 16 DG H2' 1 17 DT H6 2.900 2.300 3.500 3.504 3.476 3.529 0.029 8 0 "[ . ]" 1
82 1 17 DT H2' 1 17 DT H6 1.900 . 2.300 2.094 1.976 2.139 . 0 0 "[ . ]" 1
83 2 1 DA H2' 2 1 DA H8 2.100 . 2.500 2.291 2.222 2.328 . 0 0 "[ . ]" 1
84 2 1 DA H2'' 2 1 DA H8 3.600 2.900 4.300 3.773 3.697 3.833 . 0 0 "[ . ]" 1
85 2 1 DA H2' 2 2 DC H6 3.100 2.500 3.700 3.737 3.726 3.747 0.047 7 0 "[ . ]" 1
86 2 1 DA H2'' 2 2 DC H6 2.400 . 2.900 2.076 2.067 2.081 . 0 0 "[ . ]" 1
87 2 2 DC H2' 2 2 DC H6 1.900 . 2.300 2.117 2.089 2.185 . 0 0 "[ . ]" 1
88 2 2 DC H2'' 2 2 DC H6 2.900 2.300 3.500 3.540 3.506 3.609 0.109 8 0 "[ . ]" 1
89 2 3 DT H2' 2 3 DT H6 1.900 . 2.300 2.344 2.314 2.371 0.071 8 0 "[ . ]" 1
90 2 3 DT H2'' 2 3 DT H6 3.300 2.600 4.000 3.777 3.754 3.798 . 0 0 "[ . ]" 1
91 2 3 DT H2' 2 4 DG H8 3.600 2.900 4.300 3.420 3.328 3.600 . 0 0 "[ . ]" 1
92 2 3 DT H2'' 2 4 DG H8 2.200 . 2.600 2.181 1.981 2.363 . 0 0 "[ . ]" 1
93 2 4 DG H2' 2 4 DG H8 2.200 . 2.600 2.262 2.122 2.530 . 0 0 "[ . ]" 1
94 2 4 DG H2'' 2 4 DG H8 3.500 2.800 4.200 3.684 3.565 3.911 . 0 0 "[ . ]" 1
95 2 4 DG H2' 2 5 DC H6 3.500 2.800 4.200 3.871 3.761 3.953 . 0 0 "[ . ]" 1
96 2 5 DC H2' 2 5 DC H6 1.900 . 2.300 2.310 2.271 2.336 0.036 4 0 "[ . ]" 1
97 2 5 DC H2'' 2 5 DC H6 3.400 2.700 4.100 3.737 3.719 3.752 . 0 0 "[ . ]" 1
98 2 6 DT H2'' 2 6 DT H6 4.200 3.400 5.000 3.637 3.524 3.772 . 0 0 "[ . ]" 1
99 2 6 DT H2'' 2 7 DA H8 2.200 . 2.600 1.976 1.910 2.066 . 0 0 "[ . ]" 1
100 2 6 DT H2' 2 7 DA H8 3.700 3.000 4.400 3.201 3.052 3.353 . 0 0 "[ . ]" 1
101 2 7 DA H2'' 2 7 DA H8 3.600 2.900 4.300 3.945 3.828 4.018 . 0 0 "[ . ]" 1
102 2 7 DA H2' 2 8 DG H8 3.800 3.000 4.600 3.461 3.357 3.640 . 0 0 "[ . ]" 1
103 2 8 DG H2' 2 8 DG H8 2.200 . 2.600 2.508 2.463 2.522 . 0 0 "[ . ]" 1
104 2 8 DG H2'' 2 8 DG H8 3.700 3.000 4.400 3.884 3.841 3.927 . 0 0 "[ . ]" 1
105 2 8 DG H2' 2 9 DA H8 3.700 3.000 4.400 3.722 3.433 3.979 . 0 0 "[ . ]" 1
106 2 9 DA H2' 2 9 DA H8 2.100 . 2.500 2.394 2.298 2.527 0.027 2 0 "[ . ]" 1
107 2 9 DA H2'' 2 9 DA H8 3.600 2.900 4.300 3.844 3.762 3.936 . 0 0 "[ . ]" 1
108 2 9 DA H2' 2 10 DG H8 2.800 2.200 3.400 3.424 3.413 3.434 0.034 6 0 "[ . ]" 1
109 2 10 DG H2'' 2 10 DG H8 3.700 3.000 4.400 3.643 3.316 3.797 . 0 0 "[ . ]" 1
110 2 10 DG H2' 2 11 DA H8 3.700 3.000 4.400 3.617 3.379 4.242 . 0 0 "[ . ]" 1
111 2 10 DG H2'' 2 11 DA H8 2.300 . 2.800 2.053 1.878 2.613 . 0 0 "[ . ]" 1
112 2 11 DA H2'' 2 11 DA H8 3.600 2.900 4.300 3.917 3.870 3.940 . 0 0 "[ . ]" 1
113 2 11 DA H2'' 2 12 DT H6 2.600 2.100 3.100 2.109 2.088 2.145 0.012 5 0 "[ . ]" 1
114 2 12 DT H2' 2 12 DT H6 1.800 . 2.200 2.111 2.052 2.215 0.015 5 0 "[ . ]" 1
115 2 12 DT H2'' 2 12 DT H6 3.400 2.700 4.100 3.564 3.502 3.669 . 0 0 "[ . ]" 1
116 2 12 DT H2' 2 13 DT H6 3.800 3.000 4.600 3.724 3.639 3.778 . 0 0 "[ . ]" 1
117 2 12 DT H2'' 2 13 DT H6 2.300 . 2.800 2.248 2.124 2.299 . 0 0 "[ . ]" 1
118 2 13 DT H2' 2 13 DT H6 1.900 . 2.300 2.076 2.032 2.121 . 0 0 "[ . ]" 1
119 2 13 DT H2'' 2 13 DT H6 3.400 2.700 4.100 3.500 3.452 3.539 . 0 0 "[ . ]" 1
120 2 14 DT H2' 2 14 DT H6 2.100 . 2.500 2.245 2.029 2.422 . 0 0 "[ . ]" 1
121 2 14 DT H2'' 2 15 DT H6 2.300 . 2.800 2.286 2.135 2.506 . 0 0 "[ . ]" 1
122 2 15 DT H2' 2 15 DT H6 2.000 . 2.400 2.195 2.103 2.248 . 0 0 "[ . ]" 1
123 2 15 DT H2'' 2 15 DT H6 3.400 2.700 4.100 3.645 3.576 3.695 . 0 0 "[ . ]" 1
124 2 15 DT H2'' 2 16 DC H6 2.400 . 2.900 2.071 1.998 2.237 . 0 0 "[ . ]" 1
125 2 16 DC H2' 2 16 DC H6 1.900 . 2.300 1.882 1.804 1.962 . 0 0 "[ . ]" 1
126 2 16 DC H2'' 2 16 DC H6 3.400 2.700 4.100 3.322 3.243 3.405 . 0 0 "[ . ]" 1
127 2 16 DC H2' 2 17 DC H6 3.300 2.600 4.000 4.004 3.801 4.095 0.095 3 0 "[ . ]" 1
128 2 17 DC H2'' 2 17 DC H6 3.700 3.000 4.400 4.246 4.127 4.388 . 0 0 "[ . ]" 1
129 1 1 DG H3' 1 1 DG H8 4.400 3.500 5.300 4.408 4.329 4.481 . 0 0 "[ . ]" 1
130 1 2 DG H3' 1 3 DA H8 4.900 3.900 5.900 4.740 4.619 4.848 . 0 0 "[ . ]" 1
131 1 3 DA H3' 1 3 DA H8 4.100 3.300 4.900 4.401 4.288 4.561 . 0 0 "[ . ]" 1
132 1 5 DA H3' 1 5 DA H8 3.500 2.800 4.200 4.127 3.932 4.275 0.075 2 0 "[ . ]" 1
133 1 5 DA H3' 1 6 DA H8 4.500 3.600 5.400 4.819 4.603 4.989 . 0 0 "[ . ]" 1
134 1 6 DA H3' 1 7 DT H6 4.900 3.900 5.900 4.723 4.624 4.865 . 0 0 "[ . ]" 1
135 1 9 DT H3' 1 9 DT H6 3.800 3.000 4.600 4.195 4.146 4.239 . 0 0 "[ . ]" 1
136 1 11 DT H3' 1 11 DT H6 3.800 3.000 4.600 4.061 3.997 4.107 . 0 0 "[ . ]" 1
137 1 11 DT H3' 1 12 DA H8 4.900 3.900 5.900 4.836 4.659 5.000 . 0 0 "[ . ]" 1
138 1 12 DA H3' 1 12 DA H8 3.500 2.800 4.200 4.258 4.231 4.282 0.082 2 0 "[ . ]" 1
139 1 12 DA H3' 1 13 DG H8 4.900 3.900 5.900 4.949 4.850 5.089 . 0 0 "[ . ]" 1
140 1 13 DG H3' 1 13 DG H8 4.400 3.500 5.300 4.329 4.186 4.500 . 0 0 "[ . ]" 1
141 1 13 DG H3' 1 14 DC H6 4.900 3.900 5.900 4.591 4.499 4.850 . 0 0 "[ . ]" 1
142 1 14 DC H3' 1 14 DC H6 3.800 3.000 4.600 4.148 4.095 4.244 . 0 0 "[ . ]" 1
143 1 14 DC H3' 1 15 DA H8 4.900 3.900 5.900 4.662 4.550 4.790 . 0 0 "[ . ]" 1
144 1 15 DA H3' 1 15 DA H8 3.600 2.900 4.300 4.344 4.317 4.366 0.066 4 0 "[ . ]" 1
145 1 15 DA H3' 1 16 DG H8 4.900 3.900 5.900 5.329 5.280 5.373 . 0 0 "[ . ]" 1
146 1 16 DG H3' 1 16 DG H8 4.200 3.400 5.000 4.318 4.253 4.350 . 0 0 "[ . ]" 1
147 1 16 DG H3' 1 17 DT H6 4.900 3.900 5.900 4.362 4.338 4.395 . 0 0 "[ . ]" 1
148 1 17 DT H3' 1 17 DT H6 4.500 3.600 5.400 3.620 3.550 3.799 0.050 5 0 "[ . ]" 1
149 2 1 DA H3' 2 1 DA H8 3.900 3.100 4.700 4.176 4.101 4.275 . 0 0 "[ . ]" 1
150 2 1 DA H3' 2 2 DC H6 3.700 3.000 4.400 4.515 4.500 4.542 0.142 9 0 "[ . ]" 1
151 2 2 DC H3' 2 2 DC H6 3.800 3.000 4.600 4.193 4.158 4.235 . 0 0 "[ . ]" 1
152 2 3 DT H3' 2 3 DT H6 3.800 3.000 4.600 4.117 4.092 4.138 . 0 0 "[ . ]" 1
153 2 3 DT H3' 2 4 DG H8 4.900 3.900 5.900 4.865 4.675 5.049 . 0 0 "[ . ]" 1
154 2 4 DG H3' 2 4 DG H8 4.200 3.400 5.000 4.325 4.231 4.492 . 0 0 "[ . ]" 1
155 2 4 DG H3' 2 5 DC H6 4.900 3.900 5.900 4.512 4.420 4.631 . 0 0 "[ . ]" 1
156 2 6 DT H3' 2 6 DT H6 3.800 3.000 4.600 4.125 4.026 4.181 . 0 0 "[ . ]" 1
157 2 6 DT H3' 2 7 DA H8 4.900 3.900 5.900 4.676 4.612 4.771 . 0 0 "[ . ]" 1
158 2 7 DA H3' 2 7 DA H8 5.700 4.600 6.800 4.531 4.502 4.545 0.098 7 0 "[ . ]" 1
159 2 7 DA H3' 2 8 DG H8 4.900 3.900 5.900 4.841 4.734 4.953 . 0 0 "[ . ]" 1
160 2 8 DG H3' 2 8 DG H8 4.200 3.400 5.000 4.499 4.387 4.585 . 0 0 "[ . ]" 1
161 2 8 DG H3' 2 9 DA H8 4.900 3.900 5.900 4.592 4.417 4.811 . 0 0 "[ . ]" 1
162 2 9 DA H3' 2 9 DA H8 4.700 3.800 5.600 4.292 4.160 4.485 . 0 0 "[ . ]" 1
163 2 9 DA H3' 2 10 DG H8 4.900 3.900 5.900 4.870 4.726 5.013 . 0 0 "[ . ]" 1
164 2 10 DG H3' 2 10 DG H8 4.200 3.400 5.000 4.225 4.173 4.268 . 0 0 "[ . ]" 1
165 2 10 DG H3' 2 11 DA H8 4.600 3.700 5.500 4.540 4.339 5.066 . 0 0 "[ . ]" 1
166 2 11 DA H3' 2 11 DA H8 4.100 3.300 4.900 4.569 4.545 4.633 . 0 0 "[ . ]" 1
167 2 11 DA H3' 2 12 DT H6 4.800 3.800 5.800 4.732 4.689 4.769 . 0 0 "[ . ]" 1
168 2 12 DT H3' 2 12 DT H6 3.800 3.000 4.600 4.094 4.072 4.123 . 0 0 "[ . ]" 1
169 2 12 DT H3' 2 13 DT H6 4.900 3.900 5.900 4.892 4.750 4.942 . 0 0 "[ . ]" 1
170 2 13 DT H3' 2 13 DT H6 3.800 3.000 4.600 4.159 4.144 4.191 . 0 0 "[ . ]" 1
171 2 14 DT H3' 2 14 DT H6 3.800 3.000 4.600 4.094 3.948 4.185 . 0 0 "[ . ]" 1
172 2 15 DT H3' 2 15 DT H6 3.900 3.100 4.700 4.088 4.023 4.160 . 0 0 "[ . ]" 1
173 2 15 DT H3' 2 16 DC H6 4.900 3.900 5.900 4.649 4.553 4.858 . 0 0 "[ . ]" 1
174 2 16 DC H3' 2 16 DC H6 3.900 3.100 4.700 4.011 3.960 4.049 . 0 0 "[ . ]" 1
175 2 16 DC H3' 2 17 DC H6 4.700 3.800 5.600 4.719 4.648 4.798 . 0 0 "[ . ]" 1
176 2 17 DC H3' 2 17 DC H6 3.100 2.500 3.700 2.619 2.522 2.786 . 0 0 "[ . ]" 1
177 1 1 DG H4' 1 1 DG H8 4.800 3.800 5.800 4.841 4.668 4.944 . 0 0 "[ . ]" 1
178 1 9 DT H4' 1 9 DT H6 3.900 3.100 4.700 4.649 4.518 4.708 0.008 1 0 "[ . ]" 1
179 1 12 DA H4' 1 12 DA H8 4.700 3.800 5.600 4.898 4.795 5.047 . 0 0 "[ . ]" 1
180 1 15 DA H4' 1 15 DA H8 4.900 3.900 5.900 4.685 4.597 4.750 . 0 0 "[ . ]" 1
181 1 16 DG H4' 1 16 DG H8 4.800 3.800 5.800 4.926 4.880 4.974 . 0 0 "[ . ]" 1
182 2 1 DA H4' 2 1 DA H8 4.800 3.800 5.800 4.826 4.754 4.947 . 0 0 "[ . ]" 1
183 2 2 DC H4' 2 2 DC H6 4.200 3.400 5.000 4.680 4.606 4.718 . 0 0 "[ . ]" 1
184 2 3 DT H4' 2 3 DT H6 4.600 3.700 5.500 4.482 4.464 4.509 . 0 0 "[ . ]" 1
185 2 4 DG H4' 2 4 DG H8 4.800 3.800 5.800 4.906 4.866 4.963 . 0 0 "[ . ]" 1
186 2 5 DC H4' 2 5 DC H6 4.300 3.400 5.200 4.574 4.503 4.614 . 0 0 "[ . ]" 1
187 2 7 DA H4' 2 7 DA H8 4.800 3.800 5.800 4.894 4.842 4.985 . 0 0 "[ . ]" 1
188 2 9 DA H4' 2 9 DA H8 4.800 3.800 5.800 4.823 4.760 4.890 . 0 0 "[ . ]" 1
189 2 11 DA H4' 2 11 DA H8 4.400 3.500 5.300 4.939 4.905 5.000 . 0 0 "[ . ]" 1
190 2 16 DC H4' 2 16 DC H6 4.500 3.600 5.400 4.790 4.713 4.833 . 0 0 "[ . ]" 1
191 2 8 DG H4' 2 9 DA H8 5.800 4.600 7.000 5.647 5.427 5.864 . 0 0 "[ . ]" 1
192 1 13 DG H4' 1 14 DC H6 5.800 4.600 7.000 5.760 5.592 5.884 . 0 0 "[ . ]" 1
193 1 9 DT H6 1 10 DC H5 3.700 3.000 4.400 3.269 3.140 3.361 . 0 0 "[ . ]" 1
194 2 1 DA H8 2 2 DC H5 3.800 3.000 4.600 4.424 4.146 4.570 . 0 0 "[ . ]" 1
195 2 4 DG H8 2 5 DC H5 4.000 3.200 4.800 4.089 3.924 4.353 . 0 0 "[ . ]" 1
196 1 2 DG H8 1 3 DA H8 4.900 3.900 5.900 5.225 5.049 5.500 . 0 0 "[ . ]" 1
197 1 6 DA H8 1 7 DT H6 5.100 4.100 6.100 5.607 5.573 5.669 . 0 0 "[ . ]" 1
198 1 7 DT H6 1 8 DC H6 5.000 4.000 6.000 4.458 4.207 4.817 . 0 0 "[ . ]" 1
199 1 9 DT H6 1 10 DC H6 5.000 4.000 6.000 4.634 4.457 4.741 . 0 0 "[ . ]" 1
200 1 10 DC H6 1 11 DT H6 5.000 4.000 6.000 4.799 4.714 4.852 . 0 0 "[ . ]" 1
201 1 11 DT H6 1 12 DA H8 4.800 3.800 5.800 4.605 4.486 4.677 . 0 0 "[ . ]" 1
202 1 12 DA H8 1 13 DG H8 4.900 3.900 5.900 4.875 4.362 5.276 . 0 0 "[ . ]" 1
203 1 13 DG H8 1 14 DC H6 5.200 4.200 6.200 5.652 5.521 5.811 . 0 0 "[ . ]" 1
204 1 14 DC H6 1 15 DA H8 4.800 3.800 5.800 4.125 3.900 4.462 . 0 0 "[ . ]" 1
205 1 15 DA H8 1 16 DG H8 4.900 3.900 5.900 5.585 5.473 5.787 . 0 0 "[ . ]" 1
206 1 16 DG H8 1 17 DT H6 5.200 4.200 6.200 5.216 5.142 5.319 . 0 0 "[ . ]" 1
207 2 1 DA H8 2 2 DC H6 5.100 4.100 6.100 5.555 5.415 5.641 . 0 0 "[ . ]" 1
208 2 2 DC H6 2 3 DT H6 5.000 4.000 6.000 5.059 5.011 5.113 . 0 0 "[ . ]" 1
209 2 3 DT H6 2 4 DG H8 4.800 3.800 5.800 4.936 4.800 5.044 . 0 0 "[ . ]" 1
210 2 4 DG H8 2 5 DC H6 5.200 4.200 6.200 5.508 5.334 5.633 . 0 0 "[ . ]" 1
211 2 6 DT H6 2 7 DA H8 4.800 3.800 5.800 4.431 4.255 4.630 . 0 0 "[ . ]" 1
212 2 7 DA H8 2 8 DG H8 4.900 3.900 5.900 4.926 4.769 5.003 . 0 0 "[ . ]" 1
213 2 8 DG H8 2 9 DA H8 4.900 3.900 5.900 5.458 5.328 5.619 . 0 0 "[ . ]" 1
214 2 9 DA H8 2 10 DG H8 4.900 3.900 5.900 4.963 4.731 5.152 . 0 0 "[ . ]" 1
215 2 10 DG H8 2 11 DA H8 4.900 3.900 5.900 5.211 5.099 5.348 . 0 0 "[ . ]" 1
216 2 11 DA H8 2 12 DT H6 5.100 4.100 6.100 5.206 5.145 5.276 . 0 0 "[ . ]" 1
217 2 12 DT H6 2 13 DT H6 5.000 4.000 6.000 4.995 4.873 5.052 . 0 0 "[ . ]" 1
218 2 15 DT H6 2 16 DC H6 5.000 4.000 6.000 4.925 4.627 5.194 . 0 0 "[ . ]" 1
219 2 4 DG H8 2 5 DC H42 3.900 3.100 4.700 4.236 4.058 4.531 . 0 0 "[ . ]" 1
220 1 13 DG H8 1 14 DC H42 3.900 3.100 4.700 4.285 3.947 4.701 0.001 1 0 "[ . ]" 1
221 1 7 DT H6 1 8 DC H42 3.900 3.100 4.700 4.209 3.999 4.287 . 0 0 "[ . ]" 1
222 2 1 DA H8 2 2 DC H42 3.900 3.100 4.700 4.456 4.120 4.694 . 0 0 "[ . ]" 1
223 1 2 DG H1' 1 2 DG H8 4.000 3.200 4.800 3.884 3.880 3.890 . 0 0 "[ . ]" 1
224 1 4 DA H1' 1 5 DA H8 3.100 2.500 3.700 3.443 3.029 3.763 0.063 5 0 "[ . ]" 1
225 1 7 DT H1' 1 8 DC H6 3.200 2.600 3.800 3.426 3.006 3.508 . 0 0 "[ . ]" 1
226 1 8 DC H1' 1 8 DC H6 3.700 3.000 4.400 3.729 3.724 3.732 . 0 0 "[ . ]" 1
227 1 8 DC H1' 1 9 DT H6 3.000 2.400 3.600 3.164 3.043 3.345 . 0 0 "[ . ]" 1
228 1 9 DT H1' 1 9 DT H6 3.300 2.600 4.000 3.728 3.719 3.737 . 0 0 "[ . ]" 1
229 1 9 DT H1' 1 10 DC H6 3.100 2.500 3.700 3.400 3.257 3.560 . 0 0 "[ . ]" 1
230 1 10 DC H1' 1 11 DT H6 2.500 . 3.000 3.014 2.950 3.048 0.048 2 0 "[ . ]" 1
231 1 13 DG H1' 1 13 DG H8 3.500 2.800 4.200 3.880 3.867 3.892 . 0 0 "[ . ]" 1
232 1 14 DC H1' 1 14 DC H6 3.500 2.800 4.200 3.730 3.717 3.738 . 0 0 "[ . ]" 1
233 1 14 DC H1' 1 15 DA H8 3.200 2.600 3.800 2.761 2.596 2.921 0.004 6 0 "[ . ]" 1
234 2 1 DA H1' 2 2 DC H6 3.200 2.600 3.800 3.316 3.281 3.366 . 0 0 "[ . ]" 1
235 2 2 DC H1' 2 2 DC H6 3.700 3.000 4.400 3.734 3.731 3.737 . 0 0 "[ . ]" 1
236 2 6 DT H1' 2 6 DT H6 3.400 2.700 4.100 3.718 3.712 3.721 . 0 0 "[ . ]" 1
237 2 6 DT H1' 2 7 DA H8 3.300 2.600 4.000 3.047 2.871 3.284 . 0 0 "[ . ]" 1
238 2 7 DA H1' 2 7 DA H8 3.500 2.800 4.200 3.897 3.893 3.904 . 0 0 "[ . ]" 1
239 2 7 DA H1' 2 8 DG H8 2.900 2.300 3.500 3.281 3.176 3.330 . 0 0 "[ . ]" 1
240 2 10 DG H1' 2 10 DG H8 3.300 2.600 4.000 3.861 3.782 3.887 . 0 0 "[ . ]" 1
241 2 10 DG H1' 2 11 DA H8 3.100 2.500 3.700 3.421 2.902 3.615 . 0 0 "[ . ]" 1
242 2 12 DT H1' 2 13 DT H6 3.100 2.500 3.700 3.146 3.115 3.179 . 0 0 "[ . ]" 1
243 2 15 DT H1' 2 16 DC H6 3.000 2.400 3.600 3.626 3.616 3.642 0.042 9 0 "[ . ]" 1
244 1 9 DT H1' 1 10 DC H5 3.700 3.000 4.400 4.295 4.123 4.413 0.013 9 0 "[ . ]" 1
245 1 13 DG H1' 1 14 DC H5 5.300 4.200 6.400 4.190 4.169 4.221 0.031 1 0 "[ . ]" 1
246 2 1 DA H1' 2 2 DC H5 5.300 4.200 6.400 4.145 4.129 4.159 0.071 9 0 "[ . ]" 1
247 2 4 DG H1' 2 5 DC H5 3.700 3.000 4.400 3.836 3.568 4.127 . 0 0 "[ . ]" 1
248 2 15 DT H1' 2 16 DC H5 3.700 3.000 4.400 4.383 4.223 4.459 0.059 7 0 "[ . ]" 1
249 2 16 DC H1' 2 17 DC H5 4.000 3.200 4.800 3.697 3.470 4.044 . 0 0 "[ . ]" 1
250 1 16 DG H1' 1 17 DT H1' 4.000 3.200 4.800 4.836 4.815 4.855 0.055 7 0 "[ . ]" 1
251 2 10 DG H1' 2 11 DA H1' 3.500 2.800 4.200 4.277 3.982 4.364 0.164 8 0 "[ . ]" 1
252 2 12 DT H1' 2 13 DT H3' 4.900 3.900 5.900 5.614 5.552 5.748 . 0 0 "[ . ]" 1
253 1 15 DA H1' 1 15 DA H4' 3.300 2.600 4.000 3.410 3.343 3.508 . 0 0 "[ . ]" 1
254 1 16 DG H1' 1 16 DG H4' 3.200 2.600 3.800 3.336 3.318 3.353 . 0 0 "[ . ]" 1
255 2 8 DG H1' 2 8 DG H4' 3.000 2.400 3.600 3.191 3.069 3.257 . 0 0 "[ . ]" 1
256 2 11 DA H1' 2 12 DT H4' 4.200 3.400 5.000 4.621 4.412 4.764 . 0 0 "[ . ]" 1
257 2 12 DT H1' 2 12 DT H4' 3.500 2.800 4.200 3.336 3.293 3.359 . 0 0 "[ . ]" 1
258 1 2 DG H2' 1 2 DG H8 2.200 . 2.600 2.389 2.322 2.518 . 0 0 "[ . ]" 1
259 1 6 DA H2' 1 7 DT H6 2.900 2.300 3.500 3.561 3.528 3.594 0.094 9 0 "[ . ]" 1
260 1 12 DA H2' 1 12 DA H8 2.200 . 2.600 2.329 2.094 2.463 . 0 0 "[ . ]" 1
261 1 12 DA H2' 1 13 DG H8 3.800 3.000 4.600 3.536 3.452 3.645 . 0 0 "[ . ]" 1
262 1 16 DG H2' 1 16 DG H8 2.200 . 2.600 2.292 2.222 2.325 . 0 0 "[ . ]" 1
263 2 4 DG H2'' 2 5 DC H6 2.400 . 2.900 2.167 2.076 2.235 . 0 0 "[ . ]" 1
264 2 7 DA H2'' 2 8 DG H8 2.300 . 2.800 2.147 2.081 2.278 . 0 0 "[ . ]" 1
265 2 9 DA H2'' 2 10 DG H8 2.300 . 2.800 2.260 2.165 2.362 . 0 0 "[ . ]" 1
266 2 11 DA H2' 2 11 DA H8 2.100 . 2.500 2.569 2.525 2.609 0.109 2 0 "[ . ]" 1
267 2 11 DA H2' 2 12 DT H6 3.400 2.700 4.100 3.604 3.562 3.644 . 0 0 "[ . ]" 1
268 2 14 DT H2'' 2 14 DT H6 3.400 2.700 4.100 3.690 3.525 3.828 . 0 0 "[ . ]" 1
269 1 2 DG H3' 1 2 DG H8 4.200 3.400 5.000 4.389 4.283 4.514 . 0 0 "[ . ]" 1
270 1 6 DA H3' 1 6 DA H8 4.800 3.800 5.800 4.251 3.934 4.371 . 0 0 "[ . ]" 1
271 1 9 DT H3' 1 10 DC H6 3.800 3.000 4.600 4.552 4.501 4.600 0.000 6 0 "[ . ]" 1
272 2 2 DC H3' 2 3 DT H6 4.900 3.900 5.900 4.807 4.740 4.840 . 0 0 "[ . ]" 1
273 1 1 DG H1' 1 1 DG H4' 3.100 2.500 3.700 3.255 3.161 3.424 . 0 0 "[ . ]" 1
274 1 2 DG H1' 1 3 DA H4' 4.100 3.300 4.900 4.926 4.891 4.957 0.057 7 0 "[ . ]" 1
275 1 3 DA H1' 1 3 DA H4' 3.000 2.400 3.600 3.277 3.153 3.425 . 0 0 "[ . ]" 1
276 1 7 DT H1' 1 7 DT H4' 3.300 2.600 4.000 3.472 3.417 3.534 . 0 0 "[ . ]" 1
277 1 8 DC H1' 1 8 DC H4' 3.200 2.600 3.800 3.076 2.882 3.397 . 0 0 "[ . ]" 1
278 1 10 DC H1' 1 10 DC H4' 3.300 2.600 4.000 3.281 3.228 3.364 . 0 0 "[ . ]" 1
279 1 11 DT H1' 1 12 DA H4' 4.000 3.200 4.800 4.643 4.493 4.779 . 0 0 "[ . ]" 1
280 1 13 DG H1' 1 13 DG H4' 3.100 2.500 3.700 3.333 3.143 3.545 . 0 0 "[ . ]" 1
281 1 13 DG H1' 1 14 DC H4' 4.300 3.400 5.200 4.762 4.612 4.889 . 0 0 "[ . ]" 1
282 1 17 DT H1' 1 17 DT H4' 3.100 2.500 3.700 2.874 2.822 2.911 . 0 0 "[ . ]" 1
283 2 1 DA H1' 2 1 DA H4' 3.000 2.400 3.600 3.482 3.348 3.562 . 0 0 "[ . ]" 1
284 2 1 DA H1' 2 2 DC H4' 4.400 3.500 5.300 4.467 4.411 4.545 . 0 0 "[ . ]" 1
285 2 2 DC H1' 2 2 DC H4' 3.300 2.600 4.000 3.352 3.296 3.408 . 0 0 "[ . ]" 1
286 2 3 DT H1' 2 3 DT H4' 3.200 2.600 3.800 3.260 3.193 3.326 . 0 0 "[ . ]" 1
287 2 4 DG H1' 2 4 DG H4' 3.100 2.500 3.700 3.379 3.202 3.492 . 0 0 "[ . ]" 1
288 2 5 DC H1' 2 5 DC H4' 3.000 2.400 3.600 3.226 3.145 3.365 . 0 0 "[ . ]" 1
289 2 7 DA H1' 2 7 DA H4' 3.200 2.600 3.800 3.194 3.095 3.295 . 0 0 "[ . ]" 1
290 2 10 DG H1' 2 10 DG H4' 3.100 2.500 3.700 3.237 3.051 3.633 . 0 0 "[ . ]" 1
291 2 10 DG H1' 2 11 DA H4' 4.100 3.300 4.900 4.771 4.698 4.874 . 0 0 "[ . ]" 1
292 2 11 DA H1' 2 11 DA H4' 3.200 2.600 3.800 3.103 3.067 3.179 . 0 0 "[ . ]" 1
293 2 15 DT H1' 2 15 DT H4' 3.300 2.600 4.000 3.280 3.216 3.357 . 0 0 "[ . ]" 1
294 2 16 DC H1' 2 16 DC H4' 3.200 2.600 3.800 3.368 3.219 3.509 . 0 0 "[ . ]" 1
295 2 17 DC H1' 2 17 DC H4' 3.200 2.600 3.800 3.306 3.180 3.408 . 0 0 "[ . ]" 1
296 1 3 DA H4' 1 4 DA H8 5.800 4.600 7.000 5.723 5.351 5.959 . 0 0 "[ . ]" 1
297 1 16 DG H4' 1 17 DT H6 4.500 3.600 5.400 5.639 5.620 5.670 0.270 8 0 "[ . ]" 1
298 2 8 DG H4' 2 8 DG H8 4.800 3.800 5.800 4.898 4.850 4.935 . 0 0 "[ . ]" 1
299 2 11 DA H4' 2 12 DT H6 6.200 5.000 7.400 5.784 5.659 5.836 . 0 0 "[ . ]" 1
300 1 13 DG H8 1 14 DC H5 3.800 3.000 4.600 4.344 4.174 4.525 . 0 0 "[ . ]" 1
301 1 7 DT H6 1 8 DC H5 3.900 3.100 4.700 3.392 3.186 3.564 . 0 0 "[ . ]" 1
302 2 16 DC H6 2 17 DC H5 3.700 3.000 4.400 3.702 3.402 4.022 . 0 0 "[ . ]" 1
303 2 15 DT H6 2 16 DC H5 3.600 2.900 4.300 3.611 3.316 3.816 . 0 0 "[ . ]" 1
304 1 7 DT H1' 1 8 DC H5 4.500 3.600 5.400 4.562 4.008 4.709 . 0 0 "[ . ]" 1
305 1 7 DT H2' 1 8 DC H5 3.200 2.600 3.800 2.766 2.590 2.866 0.010 7 0 "[ . ]" 1
306 1 7 DT H2'' 1 8 DC H5 2.900 2.300 3.500 3.302 2.551 3.527 0.027 5 0 "[ . ]" 1
307 1 9 DT H2' 1 10 DC H5 3.500 2.800 4.200 2.776 2.750 2.816 0.050 9 0 "[ . ]" 1
308 1 9 DT H2'' 1 10 DC H5 2.900 2.300 3.500 2.912 2.708 3.129 . 0 0 "[ . ]" 1
309 1 10 DC H2' 1 10 DC H5 4.100 3.300 4.900 4.349 4.287 4.383 . 0 0 "[ . ]" 1
310 1 14 DC H2' 1 14 DC H5 4.100 3.300 4.900 4.346 4.289 4.453 . 0 0 "[ . ]" 1
311 1 14 DC H2'' 1 14 DC H5 5.400 4.300 6.500 5.471 5.382 5.601 . 0 0 "[ . ]" 1
312 2 2 DC H2' 2 2 DC H5 3.700 3.000 4.400 4.342 4.320 4.368 . 0 0 "[ . ]" 1
313 2 1 DA H2' 2 2 DC H5 3.400 2.700 4.100 3.103 3.054 3.149 . 0 0 "[ . ]" 1
314 2 1 DA H2'' 2 2 DC H5 3.100 2.500 3.700 2.526 2.489 2.559 0.011 7 0 "[ . ]" 1
315 2 4 DG H2'' 2 5 DC H5 2.900 2.300 3.500 2.327 2.287 2.439 0.013 5 0 "[ . ]" 1
316 2 5 DC H2' 2 5 DC H5 4.100 3.300 4.900 4.429 4.385 4.466 . 0 0 "[ . ]" 1
317 2 15 DT H2'' 2 16 DC H5 2.900 2.300 3.500 2.953 2.621 3.167 . 0 0 "[ . ]" 1
318 2 15 DT H2' 2 16 DC H5 3.400 2.700 4.100 2.885 2.680 3.124 0.020 6 0 "[ . ]" 1
319 2 16 DC H2' 2 16 DC H5 4.100 3.300 4.900 4.195 4.152 4.224 . 0 0 "[ . ]" 1
320 2 16 DC H2' 2 17 DC H5 3.200 2.600 3.800 2.965 2.852 3.083 . 0 0 "[ . ]" 1
321 1 9 DT H3' 1 10 DC H5 5.200 4.200 6.200 4.967 4.909 5.013 . 0 0 "[ . ]" 1
322 2 1 DA H3' 2 2 DC H5 5.200 4.200 6.200 4.839 4.781 4.896 . 0 0 "[ . ]" 1
323 2 15 DT H3' 2 16 DC H5 5.200 4.200 6.200 5.017 4.718 5.239 . 0 0 "[ . ]" 1
324 2 16 DC H3' 2 16 DC H5 5.700 4.600 6.800 6.439 6.392 6.470 . 0 0 "[ . ]" 1
325 1 5 DA H2 1 6 DA H8 4.800 3.800 5.800 5.197 4.964 5.452 . 0 0 "[ . ]" 1
326 1 4 DA H1' 1 4 DA H2 4.800 3.800 5.800 4.496 4.460 4.517 . 0 0 "[ . ]" 1
327 1 4 DA H2 1 5 DA H1' 4.300 3.400 5.200 4.083 3.899 4.533 . 0 0 "[ . ]" 1
328 1 4 DA H2 2 14 DT H1' 5.200 4.200 6.200 5.106 4.635 5.617 . 0 0 "[ . ]" 1
329 1 5 DA H1' 1 5 DA H2 4.800 3.800 5.800 4.509 4.476 4.538 . 0 0 "[ . ]" 1
330 1 5 DA H2 1 6 DA H1' 4.000 3.200 4.800 3.348 3.191 3.706 0.009 7 0 "[ . ]" 1
331 1 5 DA H2 2 14 DT H1' 4.400 3.500 5.300 4.745 4.131 5.325 0.025 5 0 "[ . ]" 1
332 2 1 DA H1' 2 1 DA H2 4.800 3.800 5.800 4.468 4.446 4.476 . 0 0 "[ . ]" 1
333 2 1 DA H2 2 2 DC H1' 3.700 3.000 4.400 4.397 4.350 4.431 0.031 1 0 "[ . ]" 1
334 1 12 DA H1' 2 7 DA H2 4.400 3.500 5.300 4.281 3.859 4.699 . 0 0 "[ . ]" 1
335 2 6 DT H1' 2 7 DA H2 7.000 5.600 8.400 7.841 7.490 8.051 . 0 0 "[ . ]" 1
336 2 7 DA H1' 2 7 DA H2 5.300 4.200 6.400 4.474 4.459 4.482 . 0 0 "[ . ]" 1
337 1 5 DA H2 1 6 DA H2 4.000 3.200 4.800 3.764 3.616 3.946 . 0 0 "[ . ]" 1
338 1 7 DT H1' 1 7 DT H3 3.900 3.100 4.700 4.438 4.429 4.451 . 0 0 "[ . ]" 1
339 1 7 DT H3 1 8 DC H1' 3.900 3.100 4.700 4.739 4.714 4.789 0.089 7 0 "[ . ]" 1
340 2 12 DT H1' 2 12 DT H3 3.900 3.100 4.700 4.444 4.436 4.452 . 0 0 "[ . ]" 1
341 2 13 DT H1' 2 13 DT H3 3.900 3.100 4.700 4.449 4.438 4.454 . 0 0 "[ . ]" 1
342 1 6 DA H2 1 7 DT H3 2.900 2.300 3.500 3.452 3.270 3.513 0.013 5 0 "[ . ]" 1
343 1 9 DT H3 2 9 DA H2 2.400 . 2.900 2.023 1.983 2.092 . 0 0 "[ . ]" 1
344 1 11 DT H3 2 7 DA H2 2.400 . 2.900 2.444 2.323 2.634 . 0 0 "[ . ]" 1
345 1 15 DA H2 2 3 DT H3 2.400 . 2.900 2.430 2.364 2.514 . 0 0 "[ . ]" 1
346 1 12 DA H2 2 6 DT H3 2.400 . 2.900 2.528 2.440 2.648 . 0 0 "[ . ]" 1
347 1 6 DA H2 2 12 DT H3 2.400 . 2.900 2.657 2.450 2.742 . 0 0 "[ . ]" 1
348 1 5 DA H2 2 13 DT H3 2.400 . 2.900 2.516 2.388 2.643 . 0 0 "[ . ]" 1
349 1 6 DA H2 2 13 DT H3 2.400 . 2.900 2.943 2.917 2.971 0.071 5 0 "[ . ]" 1
350 1 4 DA H2 2 14 DT H3 2.400 . 2.900 2.731 2.500 2.934 0.034 7 0 "[ . ]" 1
351 1 7 DT H3 2 10 DG H1 3.900 3.100 4.700 3.105 3.086 3.155 0.014 7 0 "[ . ]" 1
352 1 11 DT H3 2 8 DG H1 2.900 2.300 3.500 3.410 3.309 3.539 0.039 9 0 "[ . ]" 1
353 1 16 DG H1 2 3 DT H3 3.900 3.100 4.700 3.547 3.459 3.770 . 0 0 "[ . ]" 1
354 2 3 DT H3 2 4 DG H1 3.900 3.100 4.700 4.423 4.178 4.535 . 0 0 "[ . ]" 1
355 1 13 DG H1 2 6 DT H3 3.900 3.100 4.700 3.312 3.116 3.470 . 0 0 "[ . ]" 1
356 1 7 DT H3 2 12 DT H3 3.900 3.100 4.700 3.684 3.409 3.804 . 0 0 "[ . ]" 1
357 2 12 DT H3 2 13 DT H3 3.900 3.100 4.700 3.567 3.261 3.826 . 0 0 "[ . ]" 1
358 2 14 DT H3 2 15 DT H3 3.900 3.100 4.700 3.289 3.068 3.662 0.032 7 0 "[ . ]" 1
359 1 7 DT H3 1 8 DC H5 3.900 3.100 4.700 4.800 4.777 4.844 0.144 2 0 "[ . ]" 1
360 1 9 DT H3 1 10 DC H5 3.900 3.100 4.700 4.758 4.726 4.781 0.081 2 0 "[ . ]" 1
361 1 7 DT H3 1 8 DC H42 3.900 3.100 4.700 4.564 4.536 4.615 . 0 0 "[ . ]" 1
362 1 7 DT H3 1 8 DC H41 3.900 3.100 4.700 3.844 3.790 3.928 . 0 0 "[ . ]" 1
363 1 8 DC H41 1 9 DT H3 3.900 3.100 4.700 4.509 4.247 4.667 . 0 0 "[ . ]" 1
364 1 9 DT H3 1 10 DC H41 3.900 3.100 4.700 3.788 3.663 3.956 . 0 0 "[ . ]" 1
365 1 14 DC H41 2 3 DT H3 3.900 3.100 4.700 4.667 4.580 4.718 0.018 5 0 "[ . ]" 1
366 2 5 DC H41 2 6 DT H3 3.900 3.100 4.700 4.276 3.849 4.706 0.006 8 0 "[ . ]" 1
367 2 15 DT H3 2 16 DC H41 3.900 3.100 4.700 3.440 3.308 3.610 . 0 0 "[ . ]" 1
368 1 14 DC H1' 2 4 DG H1 3.900 3.100 4.700 4.917 4.896 4.942 0.242 8 0 "[ . ]" 1
369 1 2 DG H1 2 16 DC H42 2.900 2.300 3.500 3.591 3.549 3.627 0.127 2 0 "[ . ]" 1
370 1 2 DG H1 2 16 DC H41 2.400 . 2.900 2.101 2.056 2.167 . 0 0 "[ . ]" 1
371 1 13 DG H1 2 5 DC H41 2.400 . 2.900 2.252 2.188 2.361 . 0 0 "[ . ]" 1
372 1 16 DG H1 2 2 DC H42 2.900 2.300 3.500 3.918 3.883 4.001 0.501 8 1 "[ . + ]" 1
373 1 16 DG H1 2 2 DC H41 3.900 3.100 4.700 2.726 2.682 2.754 0.418 8 0 "[ . ]" 1
374 1 14 DC H42 2 4 DG H1 2.900 2.300 3.500 3.718 3.703 3.732 0.232 9 0 "[ . ]" 1
375 1 14 DC H41 2 4 DG H1 2.400 . 2.900 2.298 2.274 2.320 . 0 0 "[ . ]" 1
376 1 10 DC H42 2 8 DG H1 2.900 2.300 3.500 3.547 3.466 3.594 0.094 7 0 "[ . ]" 1
377 1 10 DC H41 2 8 DG H1 2.400 . 2.900 2.004 1.890 2.088 0.010 5 0 "[ . ]" 1
378 1 8 DC H42 2 10 DG H1 2.900 2.300 3.500 3.510 3.494 3.552 0.052 9 0 "[ . ]" 1
379 1 8 DC H41 2 10 DG H1 2.400 . 2.900 1.965 1.930 2.027 . 0 0 "[ . ]" 1
380 1 12 DA H2 1 13 DG H1 3.900 3.100 4.700 4.522 4.258 4.683 . 0 0 "[ . ]" 1
381 1 15 DA H2 1 16 DG H1 3.900 3.100 4.700 4.278 4.111 4.377 . 0 0 "[ . ]" 1
382 1 15 DA H2 2 4 DG H1 3.900 3.100 4.700 4.722 4.705 4.750 0.050 8 0 "[ . ]" 1
383 2 7 DA H2 2 8 DG H1 3.900 3.100 4.700 4.682 4.483 4.765 0.065 8 0 "[ . ]" 1
384 2 8 DG H1 2 9 DA H2 2.900 2.300 3.500 3.629 3.579 3.680 0.180 7 0 "[ . ]" 1
385 2 9 DA H2 2 10 DG H1 3.900 3.100 4.700 4.195 4.049 4.433 . 0 0 "[ . ]" 1
386 1 13 DG H1 2 5 DC H5 3.900 3.100 4.700 4.787 4.744 4.818 0.118 7 0 "[ . ]" 1
387 1 14 DC H5 2 4 DG H1 3.900 3.100 4.700 4.716 4.702 4.736 0.036 4 0 "[ . ]" 1
388 1 9 DT H3 2 8 DG H1 2.900 2.300 3.500 3.144 3.021 3.332 . 0 0 "[ . ]" 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 82
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 2.569
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0238
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.000 0.000 . 0 "[ . ]"
1 2 DG 0.000 0.000 . 0 "[ . ]"
1 3 DA 0.000 0.000 . 0 "[ . ]"
1 4 DA 0.000 0.000 . 0 "[ . ]"
1 5 DA 0.000 0.000 . 0 "[ . ]"
1 6 DA 0.000 0.000 . 0 "[ . ]"
1 7 DT 0.156 0.060 7 0 "[ . ]"
1 8 DC 0.000 0.000 . 0 "[ . ]"
1 9 DT 0.088 0.028 8 0 "[ . ]"
1 10 DC 0.000 0.000 . 0 "[ . ]"
1 11 DT 0.000 0.000 . 0 "[ . ]"
1 12 DA 0.000 0.000 . 0 "[ . ]"
1 13 DG 0.000 0.000 . 0 "[ . ]"
1 14 DC 0.000 0.000 . 0 "[ . ]"
1 15 DA 0.000 0.000 . 0 "[ . ]"
1 16 DG 0.000 0.000 . 0 "[ . ]"
1 17 DT 0.042 0.016 7 0 "[ . ]"
2 1 DA 0.042 0.016 7 0 "[ . ]"
2 2 DC 0.000 0.000 . 0 "[ . ]"
2 3 DT 0.000 0.000 . 0 "[ . ]"
2 4 DG 0.000 0.000 . 0 "[ . ]"
2 5 DC 0.000 0.000 . 0 "[ . ]"
2 6 DT 0.000 0.000 . 0 "[ . ]"
2 7 DA 0.000 0.000 . 0 "[ . ]"
2 8 DG 0.000 0.000 . 0 "[ . ]"
2 9 DA 0.088 0.028 8 0 "[ . ]"
2 10 DG 0.000 0.000 . 0 "[ . ]"
2 11 DA 0.156 0.060 7 0 "[ . ]"
2 12 DT 0.000 0.000 . 0 "[ . ]"
2 13 DT 0.000 0.000 . 0 "[ . ]"
2 14 DT 0.000 0.000 . 0 "[ . ]"
2 15 DT 0.000 0.000 . 0 "[ . ]"
2 16 DC 0.000 0.000 . 0 "[ . ]"
2 17 DC 0.000 0.000 . 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG N1 2 17 DC N3 2.950 . 3.150 2.769 2.743 2.823 . 0 0 "[ . ]" 2
2 1 1 DG O6 2 17 DC N4 2.910 . 3.110 2.850 2.786 2.934 . 0 0 "[ . ]" 2
3 1 1 DG N2 2 17 DC O2 2.860 . 3.060 2.631 2.625 2.642 . 0 0 "[ . ]" 2
4 1 1 DG H1 2 17 DC N3 1.940 . 2.140 1.774 1.735 1.840 . 0 0 "[ . ]" 2
5 1 1 DG H21 2 17 DC O2 1.850 . 2.050 1.631 1.620 1.642 . 0 0 "[ . ]" 2
6 1 1 DG O6 2 17 DC H41 1.900 . 2.100 1.869 1.802 1.952 . 0 0 "[ . ]" 2
7 1 2 DG N1 2 16 DC N3 2.950 . 3.150 2.735 2.723 2.749 . 0 0 "[ . ]" 2
8 1 2 DG O6 2 16 DC N4 2.910 . 3.110 2.814 2.768 2.876 . 0 0 "[ . ]" 2
9 1 2 DG N2 2 16 DC O2 2.860 . 3.060 2.612 2.587 2.633 . 0 0 "[ . ]" 2
10 1 2 DG H1 2 16 DC N3 1.940 . 2.140 1.741 1.730 1.753 . 0 0 "[ . ]" 2
11 1 2 DG H21 2 16 DC O2 1.850 . 2.050 1.665 1.648 1.678 . 0 0 "[ . ]" 2
12 1 2 DG O6 2 16 DC H41 1.900 . 2.100 1.822 1.790 1.870 . 0 0 "[ . ]" 2
13 1 3 DA N1 2 15 DT N3 2.820 . 3.020 2.718 2.604 2.909 . 0 0 "[ . ]" 2
14 1 3 DA N6 2 15 DT O4 2.950 . 3.150 2.700 2.684 2.721 . 0 0 "[ . ]" 2
15 1 3 DA H61 2 15 DT O4 1.940 . 2.140 1.740 1.707 1.812 . 0 0 "[ . ]" 2
16 1 3 DA N1 2 15 DT H3 1.810 . 2.010 1.717 1.608 1.910 . 0 0 "[ . ]" 2
17 1 4 DA N1 2 14 DT N3 2.820 . 3.020 2.780 2.621 2.965 . 0 0 "[ . ]" 2
18 1 4 DA N6 2 14 DT O4 2.950 . 3.150 2.715 2.666 2.843 . 0 0 "[ . ]" 2
19 1 4 DA H61 2 14 DT O4 1.940 . 2.140 1.726 1.690 1.845 . 0 0 "[ . ]" 2
20 1 4 DA N1 2 14 DT H3 1.810 . 2.010 1.783 1.613 1.971 . 0 0 "[ . ]" 2
21 1 5 DA N1 2 13 DT N3 2.820 . 3.020 2.709 2.617 2.834 . 0 0 "[ . ]" 2
22 1 5 DA N6 2 13 DT O4 2.950 . 3.150 2.786 2.718 3.067 . 0 0 "[ . ]" 2
23 1 5 DA H61 2 13 DT O4 1.940 . 2.140 1.799 1.731 2.089 . 0 0 "[ . ]" 2
24 1 5 DA N1 2 13 DT H3 1.810 . 2.010 1.709 1.614 1.844 . 0 0 "[ . ]" 2
25 1 6 DA N1 2 12 DT N3 2.820 . 3.020 2.609 2.597 2.642 . 0 0 "[ . ]" 2
26 1 6 DA N6 2 12 DT O4 2.950 . 3.150 2.833 2.728 3.124 . 0 0 "[ . ]" 2
27 1 6 DA H61 2 12 DT O4 1.940 . 2.140 1.834 1.726 2.140 . 0 0 "[ . ]" 2
28 1 6 DA N1 2 12 DT H3 1.810 . 2.010 1.608 1.598 1.635 . 0 0 "[ . ]" 2
29 1 7 DT N3 2 11 DA N1 2.820 . 3.020 2.875 2.799 2.944 . 0 0 "[ . ]" 2
30 1 7 DT O4 2 11 DA N6 2.950 . 3.150 2.684 2.654 2.702 . 0 0 "[ . ]" 2
31 1 7 DT O4 2 11 DA H61 1.940 . 2.140 1.782 1.742 1.819 . 0 0 "[ . ]" 2
32 1 7 DT H3 2 11 DA N1 1.810 . 2.010 2.003 1.909 2.070 0.060 7 0 "[ . ]" 2
33 1 8 DC N3 2 10 DG N1 2.950 . 3.150 2.762 2.726 2.814 . 0 0 "[ . ]" 2
34 1 8 DC N4 2 10 DG O6 2.910 . 3.110 2.849 2.733 2.940 . 0 0 "[ . ]" 2
35 1 8 DC O2 2 10 DG N2 2.860 . 3.060 2.598 2.570 2.627 . 0 0 "[ . ]" 2
36 1 8 DC N3 2 10 DG H1 1.940 . 2.140 1.781 1.731 1.843 . 0 0 "[ . ]" 2
37 1 8 DC O2 2 10 DG H21 1.850 . 2.050 1.664 1.631 1.712 . 0 0 "[ . ]" 2
38 1 8 DC H41 2 10 DG O6 1.900 . 2.100 1.870 1.768 1.966 . 0 0 "[ . ]" 2
39 1 9 DT N3 2 9 DA N1 2.820 . 3.020 2.852 2.697 2.913 . 0 0 "[ . ]" 2
40 1 9 DT O4 2 9 DA N6 2.950 . 3.150 2.742 2.684 2.838 . 0 0 "[ . ]" 2
41 1 9 DT O4 2 9 DA H61 1.940 . 2.140 1.852 1.786 1.950 . 0 0 "[ . ]" 2
42 1 9 DT H3 2 9 DA N1 1.810 . 2.010 1.964 1.768 2.038 0.028 8 0 "[ . ]" 2
43 1 10 DC N3 2 8 DG N1 2.950 . 3.150 2.756 2.723 2.805 . 0 0 "[ . ]" 2
44 1 10 DC N4 2 8 DG O6 2.910 . 3.110 2.854 2.714 2.995 . 0 0 "[ . ]" 2
45 1 10 DC O2 2 8 DG N2 2.860 . 3.060 2.563 2.525 2.614 . 0 0 "[ . ]" 2
46 1 10 DC N3 2 8 DG H1 1.940 . 2.140 1.794 1.765 1.862 . 0 0 "[ . ]" 2
47 1 10 DC O2 2 8 DG H21 1.850 . 2.050 1.618 1.602 1.653 . 0 0 "[ . ]" 2
48 1 10 DC H41 2 8 DG O6 1.900 . 2.100 1.865 1.751 2.004 . 0 0 "[ . ]" 2
49 1 11 DT N3 2 7 DA N1 2.820 . 3.020 2.624 2.605 2.660 . 0 0 "[ . ]" 2
50 1 11 DT O4 2 7 DA N6 2.950 . 3.150 2.778 2.723 2.882 . 0 0 "[ . ]" 2
51 1 11 DT O4 2 7 DA H61 1.940 . 2.140 1.788 1.731 1.891 . 0 0 "[ . ]" 2
52 1 11 DT H3 2 7 DA N1 1.810 . 2.010 1.621 1.600 1.655 . 0 0 "[ . ]" 2
53 1 12 DA N1 2 6 DT N3 2.820 . 3.020 2.623 2.589 2.664 . 0 0 "[ . ]" 2
54 1 12 DA N6 2 6 DT O4 2.950 . 3.150 2.833 2.736 3.081 . 0 0 "[ . ]" 2
55 1 12 DA H61 2 6 DT O4 1.940 . 2.140 1.839 1.730 2.098 . 0 0 "[ . ]" 2
56 1 12 DA N1 2 6 DT H3 1.810 . 2.010 1.616 1.585 1.659 . 0 0 "[ . ]" 2
57 1 13 DG N1 2 5 DC N3 2.950 . 3.150 2.735 2.725 2.743 . 0 0 "[ . ]" 2
58 1 13 DG O6 2 5 DC N4 2.910 . 3.110 2.755 2.734 2.786 . 0 0 "[ . ]" 2
59 1 13 DG N2 2 5 DC O2 2.860 . 3.060 2.616 2.589 2.631 . 0 0 "[ . ]" 2
60 1 13 DG H1 2 5 DC N3 1.940 . 2.140 1.738 1.723 1.765 . 0 0 "[ . ]" 2
61 1 13 DG H21 2 5 DC O2 1.850 . 2.050 1.628 1.613 1.643 . 0 0 "[ . ]" 2
62 1 13 DG O6 2 5 DC H41 1.900 . 2.100 1.784 1.736 1.842 . 0 0 "[ . ]" 2
63 1 14 DC N3 2 4 DG N1 2.950 . 3.150 2.697 2.685 2.706 . 0 0 "[ . ]" 2
64 1 14 DC N4 2 4 DG O6 2.910 . 3.110 2.687 2.676 2.708 . 0 0 "[ . ]" 2
65 1 14 DC O2 2 4 DG N2 2.860 . 3.060 2.603 2.579 2.618 . 0 0 "[ . ]" 2
66 1 14 DC N3 2 4 DG H1 1.940 . 2.140 1.692 1.684 1.710 . 0 0 "[ . ]" 2
67 1 14 DC O2 2 4 DG H21 1.850 . 2.050 1.628 1.603 1.644 . 0 0 "[ . ]" 2
68 1 14 DC H41 2 4 DG O6 1.900 . 2.100 1.740 1.713 1.785 . 0 0 "[ . ]" 2
69 1 15 DA N1 2 3 DT N3 2.820 . 3.020 2.631 2.612 2.651 . 0 0 "[ . ]" 2
70 1 15 DA N6 2 3 DT O4 2.950 . 3.150 3.006 2.928 3.108 . 0 0 "[ . ]" 2
71 1 15 DA H61 2 3 DT O4 1.940 . 2.140 2.023 1.943 2.128 . 0 0 "[ . ]" 2
72 1 15 DA N1 2 3 DT H3 1.810 . 2.010 1.626 1.602 1.649 . 0 0 "[ . ]" 2
73 1 16 DG N1 2 2 DC N3 2.950 . 3.150 2.744 2.737 2.753 . 0 0 "[ . ]" 2
74 1 16 DG O6 2 2 DC N4 2.910 . 3.110 2.763 2.735 2.796 . 0 0 "[ . ]" 2
75 1 16 DG N2 2 2 DC O2 2.860 . 3.060 2.608 2.591 2.630 . 0 0 "[ . ]" 2
76 1 16 DG H1 2 2 DC N3 1.940 . 2.140 1.788 1.732 1.832 . 0 0 "[ . ]" 2
77 1 16 DG H21 2 2 DC O2 1.850 . 2.050 1.642 1.590 1.672 . 0 0 "[ . ]" 2
78 1 16 DG O6 2 2 DC H41 1.900 . 2.100 1.976 1.812 2.089 . 0 0 "[ . ]" 2
79 1 17 DT N3 2 1 DA N1 2.820 . 3.020 2.838 2.707 2.940 . 0 0 "[ . ]" 2
80 1 17 DT O4 2 1 DA N6 2.950 . 3.150 2.729 2.664 2.772 . 0 0 "[ . ]" 2
81 1 17 DT O4 2 1 DA H61 1.940 . 2.140 1.940 1.755 2.047 . 0 0 "[ . ]" 2
82 1 17 DT H3 2 1 DA N1 1.810 . 2.010 1.931 1.750 2.026 0.016 7 0 "[ . ]" 2
stop_
save_
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