NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632214 |
6h1k   |
34302 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6h1k
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 401
_Distance_constraint_stats_list.Viol_count 476
_Distance_constraint_stats_list.Viol_total 239.294
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0475
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0503
_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 0.178 0.067 7 0 "[ . 1]"
1 2 DG 0.312 0.067 7 0 "[ . 1]"
1 3 DG 0.327 0.047 5 0 "[ . 1]"
1 4 DA 1.279 0.428 6 0 "[ . 1]"
1 5 DG 1.065 0.256 10 0 "[ . 1]"
1 6 DG 0.130 0.016 6 0 "[ . 1]"
1 7 DC 0.406 0.060 4 0 "[ . 1]"
1 8 DG 0.785 0.060 4 0 "[ . 1]"
1 9 DT 2.927 0.815 5 2 "[ -+ 1]"
1 10 DG 5.442 0.950 6 4 "[ **+- 1]"
1 11 DG 1.194 0.176 9 0 "[ . 1]"
1 12 DC 0.258 0.057 10 0 "[ . 1]"
1 13 DC 3.074 0.907 9 2 "[- . +1]"
1 14 DT 10.778 0.907 9 7 "[** * **+*]"
1 15 DG 0.787 0.111 9 0 "[ . 1]"
1 16 DG 0.204 0.042 4 0 "[ . 1]"
1 17 DG 0.217 0.048 8 0 "[ . 1]"
1 18 DC 0.063 0.026 3 0 "[ . 1]"
1 19 DG 0.249 0.062 9 0 "[ . 1]"
1 20 DG 0.318 0.054 2 0 "[ . 1]"
1 21 DG 0.543 0.041 8 0 "[ . 1]"
1 22 DA 1.059 0.189 8 0 "[ . 1]"
1 23 DC 0.934 0.189 8 0 "[ . 1]"
1 24 DT 0.333 0.043 8 0 "[ . 1]"
1 25 DG 0.111 0.028 8 0 "[ . 1]"
1 26 DG 0.563 0.289 10 0 "[ . 1]"
1 27 DG 0.112 0.026 4 0 "[ . 1]"
1 28 DG 0.088 0.022 2 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1' 1 1 DG H8 2.400 . 3.000 2.625 2.579 2.783 . 0 0 "[ . 1]" 1
2 1 1 DG H1' 1 2 DG H8 3.800 2.850 4.750 3.976 2.841 4.473 0.009 1 0 "[ . 1]" 1
3 1 1 DG H8 1 2 DG H1' 3.000 2.250 3.750 3.603 3.230 3.817 0.067 7 0 "[ . 1]" 1
4 1 2 DG H1' 1 2 DG H8 3.800 2.850 4.750 3.852 3.736 3.916 . 0 0 "[ . 1]" 1
5 1 2 DG H1' 1 3 DG H8 4.800 3.600 6.000 5.365 4.135 6.017 0.017 2 0 "[ . 1]" 1
6 1 3 DG H1' 1 3 DG H8 4.800 3.600 6.000 3.817 3.566 3.911 0.034 6 0 "[ . 1]" 1
7 1 3 DG H1' 1 4 DA H8 5.200 3.400 7.000 6.269 3.669 7.005 0.005 10 0 "[ . 1]" 1
8 1 4 DA H1' 1 4 DA H8 3.800 2.850 4.750 3.894 3.786 3.925 . 0 0 "[ . 1]" 1
9 1 4 DA H1' 1 5 DG H8 5.200 3.400 7.000 6.023 4.122 7.007 0.007 6 0 "[ . 1]" 1
10 1 5 DG H1' 1 5 DG H8 3.800 2.850 4.750 3.875 3.523 3.925 . 0 0 "[ . 1]" 1
11 1 5 DG H1' 1 6 DG H8 3.000 2.250 3.750 3.665 3.120 3.766 0.016 6 0 "[ . 1]" 1
12 1 6 DG H1' 1 6 DG H8 3.800 2.850 4.750 3.909 3.863 3.919 . 0 0 "[ . 1]" 1
13 1 6 DG H1' 1 7 DC H6 4.800 3.600 6.000 4.248 3.826 5.502 . 0 0 "[ . 1]" 1
14 1 6 DG H1' 1 7 DC H5 5.200 3.400 7.000 5.297 4.930 5.951 . 0 0 "[ . 1]" 1
15 1 7 DC H1' 1 7 DC H6 3.800 2.850 4.750 3.730 3.723 3.737 . 0 0 "[ . 1]" 1
16 1 6 DG H8 1 7 DC H5 3.800 3.600 4.750 4.333 3.709 4.757 0.007 10 0 "[ . 1]" 1
17 1 7 DC H5 1 7 DC H6 2.400 . 3.000 2.452 2.450 2.454 . 0 0 "[ . 1]" 1
18 1 8 DG H1' 1 8 DG H8 3.800 2.850 4.750 3.683 3.404 3.911 . 0 0 "[ . 1]" 1
19 1 8 DG H1' 1 9 DT H6 3.000 2.250 3.750 3.405 2.828 3.784 0.034 4 0 "[ . 1]" 1
20 1 9 DT H1' 1 9 DT H6 3.000 2.250 3.750 3.501 3.224 3.734 . 0 0 "[ . 1]" 1
21 1 9 DT H1' 1 10 DG H8 6.000 4.500 7.500 5.982 4.485 7.503 0.015 10 0 "[ . 1]" 1
22 1 10 DG H1' 1 10 DG H8 3.800 2.850 4.750 3.860 3.735 3.923 . 0 0 "[ . 1]" 1
23 1 10 DG H1' 1 11 DG H8 4.800 3.600 6.000 4.745 3.580 6.083 0.083 6 0 "[ . 1]" 1
24 1 11 DG H1' 1 11 DG H8 3.800 2.850 4.750 3.902 3.883 3.914 . 0 0 "[ . 1]" 1
25 1 11 DG H1' 1 12 DC H6 3.000 2.250 3.750 3.654 3.281 3.768 0.018 3 0 "[ . 1]" 1
26 1 11 DG H1' 1 12 DC H5 4.800 3.600 6.000 4.855 4.084 5.121 . 0 0 "[ . 1]" 1
27 1 12 DC H1' 1 12 DC H6 3.800 2.850 4.750 3.720 3.705 3.730 . 0 0 "[ . 1]" 1
28 1 12 DC H1' 1 13 DC H6 3.800 2.850 4.750 4.134 3.576 4.788 0.038 10 0 "[ . 1]" 1
29 1 12 DC H1' 1 13 DC H5 5.200 3.400 7.000 5.210 4.647 5.645 . 0 0 "[ . 1]" 1
30 1 11 DG H8 1 12 DC H5 4.800 3.600 6.000 4.398 4.152 4.741 . 0 0 "[ . 1]" 1
31 1 12 DC H5 1 12 DC H6 2.400 . 3.000 2.451 2.446 2.453 . 0 0 "[ . 1]" 1
32 1 13 DC H1' 1 13 DC H6 3.800 2.850 4.750 3.720 3.608 3.746 . 0 0 "[ . 1]" 1
33 1 13 DC H5 1 13 DC H6 2.400 . 3.000 2.451 2.449 2.454 . 0 0 "[ . 1]" 1
34 1 14 DT H1' 1 14 DT H6 3.800 2.850 4.750 3.378 3.177 3.726 . 0 0 "[ . 1]" 1
35 1 14 DT H1' 1 26 DG H8 6.000 4.500 7.500 4.822 4.439 5.290 0.061 9 0 "[ . 1]" 1
36 1 15 DG H1' 1 15 DG H8 2.400 . 3.000 2.572 2.541 2.641 . 0 0 "[ . 1]" 1
37 1 15 DG H1' 1 16 DG H8 3.800 2.850 4.750 4.270 3.925 4.755 0.005 4 0 "[ . 1]" 1
38 1 16 DG H1' 1 16 DG H8 3.800 2.850 4.750 3.908 3.878 3.922 . 0 0 "[ . 1]" 1
39 1 16 DG H1' 1 17 DG H8 3.000 2.250 3.750 3.406 2.245 3.777 0.027 4 0 "[ . 1]" 1
40 1 17 DG H1' 1 17 DG H8 3.800 2.850 4.750 3.891 3.825 3.918 . 0 0 "[ . 1]" 1
41 1 18 DC H1' 1 18 DC H6 3.800 2.850 4.750 3.645 3.277 3.736 . 0 0 "[ . 1]" 1
42 1 18 DC H5 1 18 DC H6 2.400 . 3.000 2.450 2.446 2.452 . 0 0 "[ . 1]" 1
43 1 19 DG H1' 1 19 DG H8 2.400 . 3.000 2.607 2.581 2.679 . 0 0 "[ . 1]" 1
44 1 19 DG H1' 1 20 DG H8 3.800 2.850 4.750 4.186 3.649 4.691 . 0 0 "[ . 1]" 1
45 1 19 DG H8 1 20 DG H1' 3.800 2.850 4.750 3.931 3.565 4.604 . 0 0 "[ . 1]" 1
46 1 20 DG H1' 1 20 DG H8 3.800 2.850 4.750 3.900 3.868 3.926 . 0 0 "[ . 1]" 1
47 1 20 DG H1' 1 21 DG H8 3.000 2.250 3.750 3.554 3.061 3.777 0.027 7 0 "[ . 1]" 1
48 1 21 DG H1' 1 21 DG H8 3.800 2.850 4.750 3.906 3.843 3.920 . 0 0 "[ . 1]" 1
49 1 21 DG H1' 1 22 DA H8 4.800 3.600 6.000 5.452 4.825 6.028 0.028 8 0 "[ . 1]" 1
50 1 22 DA H1' 1 22 DA H8 3.800 2.850 4.750 3.911 3.896 3.922 . 0 0 "[ . 1]" 1
51 1 22 DA H1' 1 23 DC H6 5.200 3.400 7.000 3.398 3.255 3.551 0.145 8 0 "[ . 1]" 1
52 1 22 DA H2 1 23 DC H1' 5.200 3.400 7.000 4.484 3.396 6.569 0.004 10 0 "[ . 1]" 1
53 1 23 DC H1' 1 23 DC H6 3.800 2.850 4.750 3.614 3.368 3.733 . 0 0 "[ . 1]" 1
54 1 21 DG H8 1 23 DC H5 5.200 3.400 7.000 6.987 6.737 7.034 0.034 7 0 "[ . 1]" 1
55 1 22 DA H8 1 23 DC H5 5.200 3.400 7.000 4.333 3.602 5.308 . 0 0 "[ . 1]" 1
56 1 23 DC H5 1 23 DC H6 2.400 . 3.000 2.450 2.444 2.452 . 0 0 "[ . 1]" 1
57 1 24 DT H1' 1 24 DT H6 3.000 2.250 3.750 3.386 2.905 3.615 . 0 0 "[ . 1]" 1
58 1 24 DT H1' 1 25 DG H8 5.200 3.400 7.000 5.751 4.594 7.008 0.008 10 0 "[ . 1]" 1
59 1 25 DG H1' 1 25 DG H8 2.400 . 3.000 2.650 2.582 2.996 . 0 0 "[ . 1]" 1
60 1 26 DG H1' 1 26 DG H8 3.800 2.850 4.750 3.294 3.053 3.505 . 0 0 "[ . 1]" 1
61 1 26 DG H8 1 27 DG H1' 4.800 3.600 6.000 4.591 3.594 5.285 0.006 1 0 "[ . 1]" 1
62 1 27 DG H1' 1 27 DG H8 4.800 3.600 6.000 3.892 3.676 3.925 . 0 0 "[ . 1]" 1
63 1 27 DG H1' 1 28 DG H8 3.800 2.850 4.750 3.724 2.849 4.310 0.001 7 0 "[ . 1]" 1
64 1 28 DG H1' 1 28 DG H8 3.800 2.850 4.750 3.897 3.862 3.920 . 0 0 "[ . 1]" 1
65 1 1 DG H2' 1 1 DG H8 3.800 2.850 4.750 4.438 4.015 4.743 . 0 0 "[ . 1]" 1
66 1 1 DG H2'' 1 1 DG H8 3.800 2.850 4.750 3.709 3.040 4.758 0.008 1 0 "[ . 1]" 1
67 1 1 DG H2'' 1 2 DG H8 3.000 2.250 3.750 2.340 2.227 2.868 0.023 10 0 "[ . 1]" 1
68 1 1 DG H8 1 2 DG H2' 5.200 3.400 7.000 5.600 5.056 6.036 . 0 0 "[ . 1]" 1
69 1 2 DG H2' 1 2 DG H8 3.000 2.250 3.750 3.075 2.265 3.781 0.031 9 0 "[ . 1]" 1
70 1 2 DG H2' 1 3 DG H8 5.200 3.400 7.000 5.347 4.417 7.005 0.005 5 0 "[ . 1]" 1
71 1 2 DG H2'' 1 2 DG H8 3.800 2.850 4.750 4.336 3.770 4.756 0.006 8 0 "[ . 1]" 1
72 1 2 DG H2'' 1 3 DG H8 5.200 3.400 7.000 4.535 3.519 6.222 . 0 0 "[ . 1]" 1
73 1 3 DG H2' 1 3 DG H8 3.800 2.850 4.750 3.231 2.803 4.396 0.047 5 0 "[ . 1]" 1
74 1 3 DG H2'' 1 3 DG H8 4.800 3.600 6.000 4.394 4.049 5.001 . 0 0 "[ . 1]" 1
75 1 3 DG H2'' 1 4 DA H8 5.200 3.400 7.000 5.810 3.721 7.006 0.006 8 0 "[ . 1]" 1
76 1 4 DA H2' 1 4 DA H8 3.000 2.250 3.750 2.745 2.229 3.424 0.021 3 0 "[ . 1]" 1
77 1 4 DA H2' 1 5 DG H8 4.800 3.600 6.000 5.042 4.201 6.020 0.020 5 0 "[ . 1]" 1
78 1 4 DA H2'' 1 4 DA H8 3.800 2.850 4.750 4.087 3.472 4.628 . 0 0 "[ . 1]" 1
79 1 4 DA H2'' 1 5 DG H8 4.800 3.600 6.000 4.334 3.634 5.268 . 0 0 "[ . 1]" 1
80 1 5 DG H2' 1 5 DG H8 3.000 2.250 3.750 2.567 2.240 3.889 0.139 10 0 "[ . 1]" 1
81 1 5 DG H2' 1 6 DG H8 3.800 2.850 4.750 3.938 3.633 4.611 . 0 0 "[ . 1]" 1
82 1 5 DG H2'' 1 5 DG H8 3.800 2.850 4.750 3.972 3.679 4.699 . 0 0 "[ . 1]" 1
83 1 5 DG H2'' 1 6 DG H8 3.800 2.850 4.750 2.859 2.837 2.952 0.013 4 0 "[ . 1]" 1
84 1 6 DG H2' 1 6 DG H8 3.000 2.250 3.750 2.730 2.606 3.571 . 0 0 "[ . 1]" 1
85 1 6 DG H2' 1 7 DC H6 3.800 2.850 4.750 3.412 2.841 3.705 0.009 10 0 "[ . 1]" 1
86 1 6 DG H2'' 1 6 DG H8 3.800 2.850 4.750 4.078 3.967 4.585 . 0 0 "[ . 1]" 1
87 1 6 DG H2'' 1 7 DC H6 3.000 2.250 3.750 2.657 2.248 3.755 0.005 10 0 "[ . 1]" 1
88 1 7 DC H2' 1 7 DC H6 2.400 . 3.000 2.292 2.205 2.414 . 0 0 "[ . 1]" 1
89 1 7 DC H2' 1 8 DG H8 4.800 3.600 6.000 4.715 3.972 5.450 . 0 0 "[ . 1]" 1
90 1 7 DC H2'' 1 7 DC H6 3.000 2.250 3.750 3.690 3.474 3.753 0.003 1 0 "[ . 1]" 1
91 1 7 DC H2'' 1 8 DG H8 3.800 2.850 4.750 3.414 2.790 4.401 0.060 4 0 "[ . 1]" 1
92 1 8 DG H2' 1 8 DG H8 2.400 . 3.000 2.145 2.093 2.363 . 0 0 "[ . 1]" 1
93 1 8 DG H2' 1 9 DT H6 4.800 3.600 6.000 3.827 3.585 4.900 0.015 6 0 "[ . 1]" 1
94 1 8 DG H2'' 1 8 DG H8 3.000 2.250 3.750 3.673 3.395 3.773 0.023 5 0 "[ . 1]" 1
95 1 8 DG H2'' 1 9 DT H6 3.800 2.850 4.750 3.379 2.795 4.774 0.055 4 0 "[ . 1]" 1
96 1 8 DG H8 1 9 DT C7 3.800 2.850 5.250 3.632 2.840 4.287 0.010 4 0 "[ . 1]" 1
97 1 9 DT C7 1 9 DT H6 2.400 . 3.500 2.659 2.651 2.667 . 0 0 "[ . 1]" 1
98 1 9 DT H2' 1 9 DT H6 2.400 . 3.000 2.223 2.158 2.453 . 0 0 "[ . 1]" 1
99 1 9 DT H2'' 1 9 DT H6 3.000 2.250 3.750 3.030 2.240 3.765 0.015 4 0 "[ . 1]" 1
100 1 9 DT H2'' 1 10 DG H8 5.200 3.400 7.000 6.066 4.283 7.001 0.001 3 0 "[ . 1]" 1
101 1 10 DG H2' 1 10 DG H8 2.400 . 3.000 2.514 2.049 3.019 0.019 3 0 "[ . 1]" 1
102 1 10 DG H2'' 1 10 DG H8 3.800 2.850 4.750 3.984 3.665 4.328 . 0 0 "[ . 1]" 1
103 1 10 DG H2'' 1 11 DG H8 4.800 3.600 6.000 5.277 4.393 6.009 0.009 8 0 "[ . 1]" 1
104 1 11 DG H2' 1 11 DG H8 2.400 . 3.000 2.376 2.136 2.550 . 0 0 "[ . 1]" 1
105 1 11 DG H2'' 1 11 DG H8 3.000 2.250 3.750 3.748 3.580 3.834 0.084 6 0 "[ . 1]" 1
106 1 11 DG H2'' 1 12 DC H6 3.000 2.250 3.750 2.381 2.242 2.658 0.008 2 0 "[ . 1]" 1
107 1 12 DC H2' 1 12 DC H6 2.400 . 3.000 2.524 2.349 2.933 . 0 0 "[ . 1]" 1
108 1 12 DC H2' 1 13 DC H6 3.000 2.250 3.750 3.634 3.437 3.787 0.037 10 0 "[ . 1]" 1
109 1 12 DC H2'' 1 13 DC H6 2.400 . 3.000 2.584 2.249 2.913 . 0 0 "[ . 1]" 1
110 1 12 DC H2'' 1 12 DC H6 3.800 2.850 4.750 3.911 3.749 4.176 . 0 0 "[ . 1]" 1
111 1 13 DC H2' 1 13 DC H6 3.000 2.250 3.750 2.388 2.213 3.150 0.037 9 0 "[ . 1]" 1
112 1 13 DC H2' 1 14 DT H6 4.800 3.600 6.000 4.424 3.587 5.236 0.013 3 0 "[ . 1]" 1
113 1 13 DC H2'' 1 13 DC H6 3.800 2.850 4.750 3.741 3.539 4.399 . 0 0 "[ . 1]" 1
114 1 13 DC H2'' 1 14 DT H6 4.800 3.600 6.000 4.413 3.557 5.015 0.043 9 0 "[ . 1]" 1
115 1 13 DC H6 1 14 DT C7 4.800 3.600 6.500 5.713 3.893 6.538 0.038 9 0 "[ . 1]" 1
116 1 14 DT C7 1 14 DT H6 2.400 . 3.500 2.654 2.644 2.660 . 0 0 "[ . 1]" 1
117 1 14 DT C7 1 26 DG H8 4.800 3.600 6.500 4.536 4.092 5.949 . 0 0 "[ . 1]" 1
118 1 14 DT Q2' 1 14 DT H6 2.400 2.250 3.000 2.192 2.034 2.676 0.216 8 0 "[ . 1]" 1
119 1 14 DT Q2' 1 26 DG H8 4.800 3.600 6.000 4.116 3.311 5.183 0.289 10 0 "[ . 1]" 1
120 1 15 DG H2' 1 15 DG H8 4.800 3.600 6.000 4.461 4.222 4.574 . 0 0 "[ . 1]" 1
121 1 15 DG H2' 1 16 DG H8 3.000 2.250 3.750 2.865 2.360 3.285 . 0 0 "[ . 1]" 1
122 1 15 DG H2'' 1 15 DG H8 4.800 3.600 6.000 3.907 3.588 4.164 0.012 4 0 "[ . 1]" 1
123 1 16 DG H2' 1 16 DG H8 3.000 2.250 3.750 2.605 2.259 2.968 . 0 0 "[ . 1]" 1
124 1 16 DG H2'' 1 16 DG H8 3.800 2.850 4.750 3.991 3.573 4.471 . 0 0 "[ . 1]" 1
125 1 16 DG H2'' 1 17 DG H8 3.000 2.250 3.750 2.417 2.208 2.704 0.042 4 0 "[ . 1]" 1
126 1 17 DG H2' 1 17 DG H8 3.000 2.250 3.750 2.805 2.326 3.199 . 0 0 "[ . 1]" 1
127 1 17 DG H2'' 1 17 DG H8 3.800 2.850 4.750 4.238 3.890 4.498 . 0 0 "[ . 1]" 1
128 1 18 DC H2' 1 18 DC H6 2.400 . 3.000 2.204 2.171 2.282 . 0 0 "[ . 1]" 1
129 1 18 DC H2'' 1 18 DC H6 3.800 2.850 4.750 3.487 2.824 3.749 0.026 3 0 "[ . 1]" 1
130 1 19 DG H2' 1 19 DG H8 4.800 3.600 6.000 4.324 4.076 4.435 . 0 0 "[ . 1]" 1
131 1 19 DG H2' 1 20 DG H8 3.000 2.250 3.750 2.454 2.239 3.068 0.011 9 0 "[ . 1]" 1
132 1 19 DG H2'' 1 19 DG H8 4.800 3.600 6.000 3.752 3.590 4.387 0.010 1 0 "[ . 1]" 1
133 1 19 DG H2'' 1 20 DG H8 2.400 . 3.000 2.285 2.183 2.597 . 0 0 "[ . 1]" 1
134 1 20 DG H2' 1 20 DG H8 3.800 2.850 4.750 2.879 2.796 3.067 0.054 2 0 "[ . 1]" 1
135 1 20 DG H2' 1 21 DG H8 3.800 2.850 4.750 3.357 2.829 4.004 0.021 10 0 "[ . 1]" 1
136 1 20 DG H2'' 1 20 DG H8 3.800 2.850 4.750 4.276 3.942 4.536 . 0 0 "[ . 1]" 1
137 1 20 DG H2'' 1 21 DG H8 3.000 2.250 3.750 2.456 2.248 2.928 0.002 8 0 "[ . 1]" 1
138 1 21 DG H2' 1 21 DG H8 3.000 2.250 3.750 2.590 2.278 3.144 . 0 0 "[ . 1]" 1
139 1 21 DG H2' 1 22 DA H8 4.800 3.600 6.000 3.816 3.583 4.454 0.017 9 0 "[ . 1]" 1
140 1 21 DG H2' 1 23 DC H6 5.200 3.400 7.000 6.722 6.068 7.041 0.041 8 0 "[ . 1]" 1
141 1 21 DG H2'' 1 21 DG H8 3.800 2.850 4.750 4.052 3.714 4.628 . 0 0 "[ . 1]" 1
142 1 21 DG H2'' 1 22 DA H8 3.800 2.850 4.750 3.218 2.836 3.894 0.014 5 0 "[ . 1]" 1
143 1 21 DG H2'' 1 23 DC H6 5.200 3.400 7.000 6.100 4.853 6.827 . 0 0 "[ . 1]" 1
144 1 22 DA H2' 1 22 DA H8 3.000 2.250 3.750 2.317 2.202 2.547 0.048 3 0 "[ . 1]" 1
145 1 22 DA H2'' 1 22 DA H8 3.800 2.850 4.750 3.759 3.304 4.134 . 0 0 "[ . 1]" 1
146 1 22 DA H2'' 1 23 DC H6 3.800 2.850 4.750 3.375 2.843 4.853 0.103 8 0 "[ . 1]" 1
147 1 23 DC H2' 1 23 DC H6 3.000 2.250 3.750 2.988 2.308 3.812 0.062 8 0 "[ . 1]" 1
148 1 23 DC H2'' 1 23 DC H6 3.800 2.850 4.750 4.244 3.863 4.732 . 0 0 "[ . 1]" 1
149 1 22 DA H2 1 24 DT C7 5.200 3.400 7.500 4.439 3.375 6.620 0.025 8 0 "[ . 1]" 1
150 1 24 DT C7 1 24 DT H6 2.400 . 3.500 2.659 2.657 2.660 . 0 0 "[ . 1]" 1
151 1 24 DT C7 1 28 DG H8 6.000 4.500 8.000 6.843 5.607 7.739 . 0 0 "[ . 1]" 1
152 1 24 DT H2' 1 24 DT H6 3.000 2.250 3.750 3.073 2.227 3.649 0.023 6 0 "[ . 1]" 1
153 1 24 DT H2'' 1 24 DT H6 3.800 2.850 4.750 4.066 2.846 4.760 0.010 8 0 "[ . 1]" 1
154 1 26 DG H2' 1 26 DG H8 2.400 . 3.000 2.243 2.075 2.584 . 0 0 "[ . 1]" 1
155 1 26 DG H2'' 1 26 DG H8 3.000 2.250 3.750 3.493 3.126 3.752 0.002 10 0 "[ . 1]" 1
156 1 28 DG H2' 1 28 DG H8 3.000 2.250 3.750 2.652 2.282 3.079 . 0 0 "[ . 1]" 1
157 1 28 DG H2'' 1 28 DG H8 3.800 2.850 4.750 4.093 3.777 4.431 . 0 0 "[ . 1]" 1
158 1 1 DG H8 1 2 DG H8 4.800 3.600 6.000 4.224 3.616 4.666 . 0 0 "[ . 1]" 1
159 1 2 DG H8 1 3 DG H8 5.500 3.500 7.500 7.401 6.670 7.524 0.024 1 0 "[ . 1]" 1
160 1 4 DA H8 1 5 DG H8 5.500 3.500 7.500 7.475 7.434 7.512 0.012 10 0 "[ . 1]" 1
161 1 5 DG H8 1 6 DG H8 5.200 3.400 7.000 5.014 4.096 6.586 . 0 0 "[ . 1]" 1
162 1 6 DG H8 1 7 DC H6 4.800 3.600 6.000 5.112 4.647 5.796 . 0 0 "[ . 1]" 1
163 1 7 DC H6 1 8 DG H8 4.800 3.600 6.000 5.897 5.502 6.045 0.045 4 0 "[ . 1]" 1
164 1 8 DG H8 1 9 DT H6 4.800 3.600 6.000 4.438 3.584 5.359 0.016 10 0 "[ . 1]" 1
165 1 11 DG H8 1 12 DC H6 4.800 3.600 6.000 5.051 4.864 5.279 . 0 0 "[ . 1]" 1
166 1 14 DT H6 1 26 DG H8 5.200 3.400 7.000 3.846 3.377 5.054 0.023 7 0 "[ . 1]" 1
167 1 15 DG H8 1 16 DG H8 4.800 3.600 6.000 5.012 4.604 5.375 . 0 0 "[ . 1]" 1
168 1 16 DG H8 1 17 DG H8 4.800 3.600 6.000 5.155 4.655 5.964 . 0 0 "[ . 1]" 1
169 1 19 DG H8 1 20 DG H8 4.800 3.600 6.000 4.493 3.593 5.104 0.007 6 0 "[ . 1]" 1
170 1 20 DG H8 1 21 DG H8 4.800 3.600 6.000 5.086 4.459 5.453 . 0 0 "[ . 1]" 1
171 1 21 DG H8 1 22 DA H8 5.200 3.400 7.000 5.995 5.513 6.802 . 0 0 "[ . 1]" 1
172 1 22 DA H8 1 23 DC H6 5.200 3.400 7.000 4.796 4.214 6.603 . 0 0 "[ . 1]" 1
173 1 26 DG H8 1 27 DG H8 4.800 3.600 6.000 4.822 3.586 5.528 0.014 7 0 "[ . 1]" 1
174 1 27 DG H8 1 28 DG H8 5.200 3.400 7.000 5.597 4.580 6.407 . 0 0 "[ . 1]" 1
175 1 1 DG H3' 1 1 DG H8 5.200 3.400 7.000 6.016 5.760 6.117 . 0 0 "[ . 1]" 1
176 1 1 DG H3' 1 2 DG H8 4.800 3.600 6.000 4.686 3.928 5.414 . 0 0 "[ . 1]" 1
177 1 1 DG H3' 1 25 DG H8 4.800 3.600 6.000 4.978 4.079 5.910 . 0 0 "[ . 1]" 1
178 1 2 DG H3' 1 2 DG H8 3.800 2.850 4.750 4.029 2.822 4.753 0.028 7 0 "[ . 1]" 1
179 1 2 DG H3' 1 3 DG H8 5.200 3.400 7.000 4.686 3.392 6.385 0.008 2 0 "[ . 1]" 1
180 1 3 DG H3' 1 3 DG H8 4.800 3.600 6.000 4.637 4.301 5.051 . 0 0 "[ . 1]" 1
181 1 3 DG H3' 1 4 DA H8 4.800 3.600 6.000 5.477 3.705 6.014 0.014 6 0 "[ . 1]" 1
182 1 4 DA H3' 1 4 DA H8 3.800 2.850 4.750 4.192 2.844 4.752 0.006 5 0 "[ . 1]" 1
183 1 4 DA H3' 1 5 DG H8 4.800 3.600 6.000 4.958 3.617 6.037 0.037 5 0 "[ . 1]" 1
184 1 5 DG H3' 1 5 DG H8 3.800 2.850 4.750 4.426 4.311 4.887 0.137 10 0 "[ . 1]" 1
185 1 5 DG H3' 1 6 DG H8 5.200 3.400 7.000 5.508 5.398 5.691 . 0 0 "[ . 1]" 1
186 1 6 DG H3' 1 6 DG H8 3.800 2.850 4.750 4.200 2.834 4.406 0.016 10 0 "[ . 1]" 1
187 1 6 DG H3' 1 7 DC H5 5.200 3.400 7.000 5.919 3.702 6.420 . 0 0 "[ . 1]" 1
188 1 6 DG H3' 1 7 DC H6 4.800 3.600 6.000 5.017 3.764 5.337 . 0 0 "[ . 1]" 1
189 1 7 DC H3' 1 7 DC H6 3.800 2.850 4.750 4.000 3.856 4.174 . 0 0 "[ . 1]" 1
190 1 7 DC H3' 1 8 DG H8 4.800 3.600 6.000 5.229 4.179 6.006 0.006 9 0 "[ . 1]" 1
191 1 8 DG H3' 1 8 DG H8 3.800 2.850 4.750 3.624 2.824 4.507 0.026 1 0 "[ . 1]" 1
192 1 8 DG H3' 1 9 DT H6 4.800 3.600 6.000 5.593 4.955 5.969 . 0 0 "[ . 1]" 1
193 1 9 DT H3' 1 9 DT H6 3.800 2.850 4.750 4.052 2.817 4.472 0.033 10 0 "[ . 1]" 1
194 1 9 DT H3' 1 10 DG H8 5.200 3.400 7.000 5.529 4.026 7.004 0.004 6 0 "[ . 1]" 1
195 1 10 DG H3' 1 10 DG H8 2.400 . 3.000 2.721 2.169 3.170 0.170 9 0 "[ . 1]" 1
196 1 11 DG H3' 1 11 DG H8 3.800 2.850 4.750 4.080 3.684 4.401 . 0 0 "[ . 1]" 1
197 1 11 DG H3' 1 12 DC H6 4.800 3.600 6.000 5.242 5.056 5.499 . 0 0 "[ . 1]" 1
198 1 11 DG H3' 1 12 DC H5 5.200 3.400 7.000 6.181 5.972 6.597 . 0 0 "[ . 1]" 1
199 1 12 DC H3' 1 12 DC H6 4.800 3.600 6.000 4.017 3.543 4.124 0.057 10 0 "[ . 1]" 1
200 1 12 DC H3' 1 12 DC H5 5.200 3.400 7.000 6.368 5.773 6.483 . 0 0 "[ . 1]" 1
201 1 12 DC H3' 1 13 DC H6 4.800 3.600 6.000 5.218 4.970 5.455 . 0 0 "[ . 1]" 1
202 1 13 DC H3' 1 13 DC H6 3.800 2.850 4.750 3.998 3.398 4.334 . 0 0 "[ . 1]" 1
203 1 13 DC H3' 1 14 DT H6 4.800 3.600 6.000 5.579 3.587 6.014 0.014 8 0 "[ . 1]" 1
204 1 13 DC H3' 1 14 DT C7 5.200 3.400 7.500 7.078 4.987 7.530 0.030 10 0 "[ . 1]" 1
205 1 13 DC H6 1 14 DT H3' 5.200 3.400 7.000 6.587 5.719 7.048 0.048 10 0 "[ . 1]" 1
206 1 14 DT H3' 1 14 DT H6 3.800 2.850 4.750 4.330 3.914 4.433 . 0 0 "[ . 1]" 1
207 1 15 DG H3' 1 15 DG H8 4.800 3.600 6.000 6.048 5.915 6.111 0.111 9 0 "[ . 1]" 1
208 1 15 DG H8 1 16 DG H3' 5.200 3.400 7.000 6.767 6.185 7.017 0.017 4 0 "[ . 1]" 1
209 1 16 DG H3' 1 17 DG H8 4.800 3.600 6.000 4.959 4.428 5.576 . 0 0 "[ . 1]" 1
210 1 17 DG H3' 1 17 DG H8 3.800 2.850 4.750 4.403 4.105 4.789 0.039 8 0 "[ . 1]" 1
211 1 18 DC H3' 1 18 DC H6 3.800 2.850 4.750 4.122 3.955 4.442 . 0 0 "[ . 1]" 1
212 1 19 DG H3' 1 19 DG H8 4.800 3.600 6.000 5.988 5.853 6.024 0.024 5 0 "[ . 1]" 1
213 1 19 DG H3' 1 20 DG H8 3.800 2.850 4.750 4.120 3.763 4.656 . 0 0 "[ . 1]" 1
214 1 20 DG H3' 1 20 DG H8 4.800 3.600 6.000 4.492 4.290 4.663 . 0 0 "[ . 1]" 1
215 1 20 DG H3' 1 21 DG H8 4.800 3.600 6.000 5.023 4.595 5.530 . 0 0 "[ . 1]" 1
216 1 21 DG H3' 1 21 DG H8 3.800 2.850 4.750 4.323 3.966 4.758 0.008 7 0 "[ . 1]" 1
217 1 21 DG H3' 1 22 DA H8 3.800 2.850 4.750 4.626 4.354 4.763 0.013 9 0 "[ . 1]" 1
218 1 22 DA H3' 1 22 DA H8 3.800 2.850 4.750 4.227 3.952 4.434 . 0 0 "[ . 1]" 1
219 1 22 DA H3' 1 23 DC H6 4.800 3.600 6.000 5.781 5.214 6.026 0.026 7 0 "[ . 1]" 1
220 1 23 DC H3' 1 23 DC H6 4.800 3.600 6.000 4.395 3.761 4.895 . 0 0 "[ . 1]" 1
221 1 24 DT H3' 1 24 DT H6 3.800 2.850 4.750 4.625 4.465 4.793 0.043 8 0 "[ . 1]" 1
222 1 25 DG H3' 1 25 DG H8 5.200 3.400 7.000 5.992 5.161 6.125 . 0 0 "[ . 1]" 1
223 1 26 DG H3' 1 27 DG H8 2.400 . 3.000 2.311 2.169 2.668 . 0 0 "[ . 1]" 1
224 1 27 DG H3' 1 27 DG H8 4.800 3.600 6.000 4.399 3.993 4.944 . 0 0 "[ . 1]" 1
225 1 27 DG H3' 1 28 DG H8 4.800 3.600 6.000 4.860 3.592 5.622 0.008 1 0 "[ . 1]" 1
226 1 28 DG H3' 1 28 DG H8 3.800 2.850 4.750 4.493 4.212 4.730 . 0 0 "[ . 1]" 1
227 1 10 DG H1' 1 11 DG H3' 5.200 3.600 6.000 5.903 5.544 6.054 0.054 3 0 "[ . 1]" 1
228 1 16 DG H1' 1 17 DG H1' 5.200 3.400 7.000 5.097 4.427 6.054 . 0 0 "[ . 1]" 1
229 1 8 DG H1' 1 9 DT C7 4.800 3.600 6.500 3.980 3.598 5.269 0.002 3 0 "[ . 1]" 1
230 1 9 DT C7 1 9 DT H1' 5.200 3.400 7.500 5.666 5.460 5.835 . 0 0 "[ . 1]" 1
231 1 11 DG H2'' 1 12 DC H5 4.800 3.600 6.000 3.785 3.595 4.035 0.005 7 0 "[ . 1]" 1
232 1 11 DG H2' 1 12 DC H5 4.800 3.600 6.000 4.036 3.811 4.503 . 0 0 "[ . 1]" 1
233 1 12 DC H2'' 1 13 DC H5 4.800 3.600 6.000 3.995 3.628 4.361 . 0 0 "[ . 1]" 1
234 1 12 DC H2' 1 13 DC H5 4.800 3.600 6.000 4.134 3.597 5.268 0.003 4 0 "[ . 1]" 1
235 1 13 DC H1' 1 14 DT C7 5.200 3.400 7.500 6.553 3.771 7.315 . 0 0 "[ . 1]" 1
236 1 14 DT H1' 1 26 DG H2' 5.200 3.400 7.000 6.854 6.102 7.016 0.016 7 0 "[ . 1]" 1
237 1 23 DC H1' 1 24 DT C7 3.000 2.250 4.250 3.760 3.024 4.262 0.012 8 0 "[ . 1]" 1
238 1 14 DT C7 1 26 DG H1' 3.000 2.250 4.250 3.883 3.030 4.259 0.009 10 0 "[ . 1]" 1
239 1 8 DG H3' 1 9 DT C7 4.800 3.600 6.500 6.111 5.150 6.526 0.026 10 0 "[ . 1]" 1
240 1 8 DG H4' 1 9 DT C7 5.200 3.400 7.500 6.941 4.271 7.502 0.002 2 0 "[ . 1]" 1
241 1 14 DT C7 1 26 DG H2' 4.800 3.600 6.500 5.626 4.957 6.091 . 0 0 "[ . 1]" 1
242 1 14 DT C7 1 26 DG H2'' 4.800 3.600 6.500 5.515 4.617 6.228 . 0 0 "[ . 1]" 1
243 1 13 DC H2' 1 14 DT C7 4.800 3.600 6.500 5.333 4.655 6.048 . 0 0 "[ . 1]" 1
244 1 13 DC H2'' 1 14 DT C7 4.800 3.600 6.500 5.373 4.869 6.378 . 0 0 "[ . 1]" 1
245 1 1 DG H4' 1 1 DG H8 4.800 3.600 6.000 5.301 4.655 5.578 . 0 0 "[ . 1]" 1
246 1 1 DG H8 1 2 DG H4' 4.800 3.600 6.000 4.428 3.883 5.051 . 0 0 "[ . 1]" 1
247 1 2 DG H4' 1 2 DG H8 4.800 3.600 6.000 4.617 4.212 5.061 . 0 0 "[ . 1]" 1
248 1 3 DG H4' 1 3 DG H8 5.200 3.400 7.000 4.459 3.963 4.776 . 0 0 "[ . 1]" 1
249 1 3 DG H8 1 4 DA H4' 5.200 3.400 7.000 6.834 6.375 7.029 0.029 1 0 "[ . 1]" 1
250 1 4 DA H4' 1 4 DA H8 4.800 3.600 6.000 4.819 4.617 4.987 . 0 0 "[ . 1]" 1
251 1 5 DG H4' 1 5 DG H8 4.800 3.600 6.000 4.830 3.890 5.045 . 0 0 "[ . 1]" 1
252 1 5 DG H4' 1 6 DG H8 5.200 3.400 7.000 6.390 6.141 6.550 . 0 0 "[ . 1]" 1
253 1 6 DG H4' 1 6 DG H8 4.800 3.600 6.000 4.844 4.334 4.934 . 0 0 "[ . 1]" 1
254 1 7 DC H4' 1 8 DG H8 4.800 3.600 6.000 4.587 3.742 6.013 0.013 5 0 "[ . 1]" 1
255 1 8 DG H4' 1 8 DG H8 4.800 3.600 6.000 5.096 4.592 5.539 . 0 0 "[ . 1]" 1
256 1 8 DG H4' 1 9 DT H6 5.200 3.400 7.000 6.300 3.383 7.006 0.017 5 0 "[ . 1]" 1
257 1 9 DT H4' 1 9 DT H6 4.800 3.600 6.000 5.008 4.460 5.437 . 0 0 "[ . 1]" 1
258 1 9 DT H4' 1 10 DG H8 4.800 3.600 6.000 4.801 3.662 6.008 0.008 2 0 "[ . 1]" 1
259 1 10 DG H4' 1 10 DG H8 4.800 3.600 6.000 4.653 4.254 4.919 . 0 0 "[ . 1]" 1
260 1 10 DG H4' 1 11 DG H8 4.800 3.600 6.000 5.006 3.572 6.030 0.030 8 0 "[ . 1]" 1
261 1 10 DG H8 1 11 DG H4' 5.200 3.400 7.000 6.946 6.391 7.054 0.054 3 0 "[ . 1]" 1
262 1 11 DG H4' 1 11 DG H8 4.800 3.600 6.000 4.984 4.900 5.212 . 0 0 "[ . 1]" 1
263 1 12 DC H4' 1 12 DC H6 4.800 3.600 6.000 4.522 4.437 4.581 . 0 0 "[ . 1]" 1
264 1 12 DC H2' 1 12 DC H4' 3.800 2.850 4.750 3.873 3.842 3.887 . 0 0 "[ . 1]" 1
265 1 12 DC H2'' 1 12 DC H4' 3.800 2.850 4.750 3.814 3.310 3.920 . 0 0 "[ . 1]" 1
266 1 13 DC H4' 1 13 DC H6 4.800 3.600 6.000 4.549 3.857 4.726 . 0 0 "[ . 1]" 1
267 1 14 DT H4' 1 14 DT H6 4.800 3.600 6.000 5.147 4.380 5.489 . 0 0 "[ . 1]" 1
268 1 15 DG H4' 1 15 DG H8 4.800 3.600 6.000 5.215 4.869 5.510 . 0 0 "[ . 1]" 1
269 1 15 DG H8 1 16 DG H4' 4.800 3.600 6.000 4.723 3.922 5.322 . 0 0 "[ . 1]" 1
270 1 16 DG H4' 1 16 DG H8 4.800 3.600 6.000 4.799 4.343 5.069 . 0 0 "[ . 1]" 1
271 1 16 DG H4' 1 17 DG H8 5.200 3.400 7.000 5.939 4.871 6.407 . 0 0 "[ . 1]" 1
272 1 17 DG H4' 1 17 DG H8 4.800 3.600 6.000 4.715 4.388 4.942 . 0 0 "[ . 1]" 1
273 1 17 DG H4' 1 18 DC H6 5.200 3.400 7.000 5.852 4.612 7.011 0.011 3 0 "[ . 1]" 1
274 1 18 DC H4' 1 18 DC H6 5.200 3.400 7.000 4.803 4.560 5.458 . 0 0 "[ . 1]" 1
275 1 19 DG H4' 1 19 DG H8 4.800 3.600 6.000 5.448 5.314 5.626 . 0 0 "[ . 1]" 1
276 1 19 DG H4' 1 20 DG H8 4.800 3.600 6.000 5.877 5.749 6.004 0.004 10 0 "[ . 1]" 1
277 1 20 DG H4' 1 20 DG H8 4.800 3.600 6.000 4.696 4.303 4.893 . 0 0 "[ . 1]" 1
278 1 21 DG H4' 1 21 DG H8 4.800 3.600 6.000 4.714 4.454 4.919 . 0 0 "[ . 1]" 1
279 1 22 DA H4' 1 22 DA H8 4.800 3.600 6.000 5.054 4.925 5.208 . 0 0 "[ . 1]" 1
280 1 22 DA H2 1 23 DC H4' 5.200 3.400 7.000 5.850 4.700 7.060 0.060 8 0 "[ . 1]" 1
281 1 23 DC H4' 1 23 DC H6 3.800 2.850 4.750 4.279 3.604 4.617 . 0 0 "[ . 1]" 1
282 1 24 DT H4' 1 24 DT H6 4.800 3.600 6.000 4.614 4.158 5.612 . 0 0 "[ . 1]" 1
283 1 25 DG H4' 1 25 DG H8 4.800 3.600 6.000 5.087 4.763 5.612 . 0 0 "[ . 1]" 1
284 1 26 DG H4' 1 26 DG H8 4.800 3.600 6.000 5.481 5.264 5.682 . 0 0 "[ . 1]" 1
285 1 27 DG H4' 1 27 DG H8 4.800 3.600 6.000 4.886 4.523 5.049 . 0 0 "[ . 1]" 1
286 1 28 DG H4' 1 28 DG H8 4.800 3.600 6.000 4.604 4.341 4.915 . 0 0 "[ . 1]" 1
287 1 4 DA Q5' 1 4 DA H8 4.800 3.600 6.500 3.723 3.172 4.360 0.428 6 0 "[ . 1]" 1
288 1 5 DG Q5' 1 5 DG H8 5.200 3.400 7.500 3.963 3.144 4.317 0.256 10 0 "[ . 1]" 1
289 1 9 DT Q5' 1 9 DT H6 4.800 3.600 6.500 4.732 3.162 5.503 0.438 4 0 "[ . 1]" 1
290 1 10 DG Q5' 1 10 DG H8 4.800 3.600 6.500 3.766 2.650 4.840 0.950 6 2 "[ .+- 1]" 1
291 1 22 DA H5' 1 22 DA H8 4.800 3.600 6.000 5.160 4.778 5.558 . 0 0 "[ . 1]" 1
292 1 22 DA H5'' 1 22 DA H8 4.800 3.600 6.000 4.574 3.595 5.354 0.005 6 0 "[ . 1]" 1
293 1 24 DT H5' 1 24 DT H6 4.800 3.600 6.000 4.568 3.668 5.764 . 0 0 "[ . 1]" 1
294 1 24 DT H5'' 1 24 DT H6 4.800 3.600 6.000 4.474 3.577 5.784 0.023 8 0 "[ . 1]" 1
295 1 14 DT Q5' 1 14 DT H6 4.800 3.600 6.500 4.430 3.012 5.426 0.588 10 2 "[ . -+]" 1
296 1 14 DT H1' 1 15 DG H2' 5.200 3.400 7.000 4.911 4.363 5.792 . 0 0 "[ . 1]" 1
297 1 7 DC H1' 1 8 DG H2' 5.200 3.400 7.000 3.787 3.371 5.729 0.029 8 0 "[ . 1]" 1
298 1 7 DC H2' 1 8 DG H4' 5.200 3.400 7.000 6.292 5.676 7.005 0.005 10 0 "[ . 1]" 1
299 1 7 DC H2'' 1 8 DG H4' 5.200 3.400 7.000 4.684 4.210 5.461 . 0 0 "[ . 1]" 1
300 1 7 DC H4' 1 9 DT C7 5.200 3.400 7.500 7.360 6.907 7.548 0.048 4 0 "[ . 1]" 1
301 1 8 DG H1' 1 9 DT H4' 5.200 3.600 6.000 5.468 3.815 5.958 . 0 0 "[ . 1]" 1
302 1 14 DT C7 1 14 DT Q5' 5.200 3.400 8.000 6.344 5.132 7.201 . 0 0 "[ . 1]" 1
303 1 13 DC H6 1 14 DT Q5' 5.200 3.400 7.500 5.579 4.266 6.710 . 0 0 "[ . 1]" 1
304 1 13 DC H3' 1 14 DT Q2' 4.800 3.600 6.000 4.101 3.489 5.550 0.111 9 0 "[ . 1]" 1
305 1 9 DT H4' 1 10 DG H1' 5.200 4.500 7.000 6.660 5.236 7.047 0.047 10 0 "[ . 1]" 1
306 1 9 DT H1' 1 9 DT H3' 4.800 3.600 6.000 3.835 3.779 3.926 . 0 0 "[ . 1]" 1
307 1 8 DG H4' 1 9 DT H5' 4.800 3.600 6.000 4.745 3.572 6.006 0.028 5 0 "[ . 1]" 1
308 1 8 DG H4' 1 9 DT H5'' 4.800 4.500 6.000 5.564 4.570 6.026 0.026 6 0 "[ . 1]" 1
309 1 9 DT H4' 1 10 DG Q5' 4.800 3.600 6.500 4.004 2.785 4.756 0.815 5 2 "[ -+ 1]" 1
310 1 9 DT H4' 1 10 DG H4' 6.000 4.500 7.500 5.905 4.625 6.822 . 0 0 "[ . 1]" 1
311 1 8 DG H1' 1 9 DT H5' 4.800 3.600 6.000 4.594 3.780 5.121 . 0 0 "[ . 1]" 1
312 1 8 DG H1' 1 9 DT H5'' 4.800 3.600 6.000 5.321 3.553 6.012 0.047 4 0 "[ . 1]" 1
313 1 9 DT H2' 1 9 DT H4' 3.800 2.850 4.750 3.865 3.831 3.894 . 0 0 "[ . 1]" 1
314 1 9 DT H2'' 1 9 DT H4' 3.800 2.850 4.750 3.815 3.219 4.002 . 0 0 "[ . 1]" 1
315 1 8 DG H2' 1 9 DT C7 3.800 2.850 5.250 4.187 3.429 4.586 . 0 0 "[ . 1]" 1
316 1 8 DG H2'' 1 9 DT C7 3.800 2.850 5.250 4.572 3.648 5.288 0.038 5 0 "[ . 1]" 1
317 1 10 DG H1' 1 11 DG H4' 4.800 3.600 6.000 5.071 4.142 6.176 0.176 9 0 "[ . 1]" 1
318 1 10 DG H2' 1 11 DG H4' 5.200 3.400 7.000 5.679 4.904 7.007 0.007 3 0 "[ . 1]" 1
319 1 10 DG H2'' 1 11 DG H4' 5.200 3.400 7.000 4.543 3.808 6.372 . 0 0 "[ . 1]" 1
320 1 14 DT H1' 1 14 DT Q5' 3.800 2.850 5.250 4.142 4.019 4.269 . 0 0 "[ . 1]" 1
321 1 14 DT Q2' 1 14 DT Q5' 4.800 3.600 6.500 3.159 2.877 3.693 0.723 8 6 "[** - *+ *]" 1
322 1 13 DC H2' 1 14 DT Q5' 5.200 3.400 7.500 3.780 3.233 4.783 0.167 8 0 "[ . 1]" 1
323 1 13 DC H2'' 1 14 DT Q5' 5.200 3.400 7.500 3.349 2.493 3.946 0.907 9 2 "[- . +1]" 1
324 1 3 DG H2'' 1 3 DG H3' 3.800 2.850 4.750 2.874 2.846 2.975 0.004 8 0 "[ . 1]" 1
325 1 3 DG H2' 1 3 DG H3' 3.000 2.250 3.750 2.346 2.289 2.377 . 0 0 "[ . 1]" 1
326 1 3 DG H1' 1 3 DG H4' 3.800 2.850 4.750 3.356 3.071 3.850 . 0 0 "[ . 1]" 1
327 1 3 DG H1' 1 4 DA H4' 5.200 3.400 7.000 4.884 3.392 7.006 0.008 10 0 "[ . 1]" 1
328 1 3 DG H2' 1 3 DG H4' 4.800 3.600 6.000 3.867 3.798 4.086 . 0 0 "[ . 1]" 1
329 1 3 DG H2'' 1 3 DG H4' 4.800 3.600 6.000 4.018 3.598 4.171 0.002 6 0 "[ . 1]" 1
330 1 4 DA H1' 1 4 DA H4' 3.800 2.850 4.750 2.987 2.833 3.336 0.017 7 0 "[ . 1]" 1
331 1 4 DA H1' 1 5 DG H5' 4.800 3.600 6.000 3.848 3.585 4.749 0.015 10 0 "[ . 1]" 1
332 1 4 DA H1' 1 5 DG H5'' 4.800 3.600 6.000 5.117 4.305 6.008 0.008 7 0 "[ . 1]" 1
333 1 5 DG H5' 1 5 DG H8 5.200 3.400 7.000 4.310 3.358 4.702 0.042 5 0 "[ . 1]" 1
334 1 5 DG H5'' 1 5 DG H8 5.200 3.400 7.000 4.738 3.317 5.183 0.083 10 0 "[ . 1]" 1
335 1 22 DA H1' 1 23 DC H4' 3.800 2.850 4.750 4.445 3.769 4.939 0.189 8 0 "[ . 1]" 1
336 1 22 DA Q2' 1 23 DC H5 4.800 3.600 6.500 4.343 4.041 4.711 . 0 0 "[ . 1]" 1
337 1 24 DT C7 1 24 DT H4' 6.000 4.500 8.000 7.128 6.807 7.815 . 0 0 "[ . 1]" 1
338 1 23 DC H2' 1 24 DT C7 6.000 4.500 8.000 6.113 4.598 7.136 . 0 0 "[ . 1]" 1
339 1 23 DC H2'' 1 24 DT C7 5.200 3.400 7.500 5.128 3.431 6.208 . 0 0 "[ . 1]" 1
340 1 24 DT C7 1 24 DT H2'' 6.000 4.500 8.000 6.276 5.489 6.821 . 0 0 "[ . 1]" 1
341 1 24 DT C7 1 24 DT H2' 5.200 3.400 7.500 5.160 4.517 5.567 . 0 0 "[ . 1]" 1
342 1 24 DT C7 1 24 DT H3' 6.000 4.500 8.000 7.024 6.660 7.189 . 0 0 "[ . 1]" 1
343 1 23 DC H3' 1 24 DT C7 6.000 4.500 8.000 6.985 6.068 8.005 0.005 4 0 "[ . 1]" 1
344 1 23 DC H4' 1 24 DT C7 5.200 3.400 7.500 5.887 4.698 7.331 . 0 0 "[ . 1]" 1
345 1 1 DG H1 1 25 DG H1 4.200 3.000 5.400 4.353 3.186 5.115 . 0 0 "[ . 1]" 1
346 1 1 DG H1 1 26 DG H1 3.800 2.600 5.000 3.325 2.799 3.975 . 0 0 "[ . 1]" 1
347 1 1 DG H1 1 27 DG H8 4.200 3.000 5.400 4.979 4.520 5.412 0.012 2 0 "[ . 1]" 1
348 1 2 DG H1 1 19 DG H8 4.200 3.000 5.400 4.730 4.276 5.326 . 0 0 "[ . 1]" 1
349 1 5 DG H1 1 12 DC H41 5.200 3.000 7.400 5.277 4.867 6.203 . 0 0 "[ . 1]" 1
350 1 5 DG H1 1 12 DC H42 5.200 3.000 7.400 6.604 6.168 7.429 0.029 10 0 "[ . 1]" 1
351 1 5 DG H1 1 13 DC H41 2.500 . 3.200 2.684 2.011 3.214 0.014 1 0 "[ . 1]" 1
352 1 5 DG H1 1 13 DC H42 3.800 2.600 5.000 4.162 3.565 4.618 . 0 0 "[ . 1]" 1
353 1 6 DG H1 1 12 DC H41 2.500 . 3.200 2.417 1.835 2.715 . 0 0 "[ . 1]" 1
354 1 6 DG H1 1 12 DC H42 3.800 2.600 5.000 3.909 3.439 4.183 . 0 0 "[ . 1]" 1
355 1 6 DG H1 1 13 DC H41 5.200 3.000 7.400 4.068 3.475 4.553 . 0 0 "[ . 1]" 1
356 1 6 DG H1 1 13 DC H42 5.200 3.000 7.400 4.560 3.926 5.220 . 0 0 "[ . 1]" 1
357 1 7 DC H41 1 11 DG H1 2.500 . 3.200 2.723 1.786 3.211 0.014 9 0 "[ . 1]" 1
358 1 7 DC H42 1 11 DG H1 3.800 2.600 5.000 4.172 3.374 4.615 . 0 0 "[ . 1]" 1
359 1 14 DT C7 1 15 DG H1 7.000 4.800 9.800 5.976 5.384 6.818 . 0 0 "[ . 1]" 1
360 1 14 DT H1' 1 15 DG H1 3.800 2.600 5.000 4.388 2.585 5.057 0.057 9 0 "[ . 1]" 1
361 1 14 DT C7 1 19 DG H1 7.000 4.800 9.800 9.517 8.934 9.862 0.062 9 0 "[ . 1]" 1
362 1 14 DT C7 1 26 DG H1 5.200 3.000 8.000 6.756 5.570 7.923 . 0 0 "[ . 1]" 1
363 1 14 DT H6 1 15 DG H1 4.200 3.000 5.400 5.319 5.153 5.461 0.061 10 0 "[ . 1]" 1
364 1 15 DG H1 1 26 DG H1 4.200 3.000 5.400 4.505 4.143 4.660 . 0 0 "[ . 1]" 1
365 1 15 DG H1 1 26 DG H8 4.200 3.000 5.400 4.906 4.235 5.409 0.009 5 0 "[ . 1]" 1
366 1 15 DG H1 1 27 DG H1 3.800 2.600 5.000 3.684 3.182 4.208 . 0 0 "[ . 1]" 1
367 1 15 DG H2'' 1 27 DG H1 5.200 3.000 7.400 6.265 4.839 6.881 . 0 0 "[ . 1]" 1
368 1 15 DG H2' 1 27 DG H1 5.200 3.000 7.400 5.337 4.104 6.076 . 0 0 "[ . 1]" 1
369 1 16 DG H1 1 17 DG H1 4.200 3.000 5.400 3.969 3.394 4.329 . 0 0 "[ . 1]" 1
370 1 16 DG H1 1 20 DG H8 4.200 3.000 5.400 4.801 4.046 5.414 0.014 4 0 "[ . 1]" 1
371 1 16 DG H8 1 28 DG H1 4.200 3.000 5.400 5.317 5.018 5.415 0.015 2 0 "[ . 1]" 1
372 1 16 DG H8 1 27 DG H1 4.200 3.000 5.400 4.879 4.075 5.408 0.008 6 0 "[ . 1]" 1
373 1 17 DG H1 1 21 DG H8 4.200 3.000 5.400 4.437 4.020 5.141 . 0 0 "[ . 1]" 1
374 1 15 DG H8 1 19 DG H1 4.200 3.000 5.400 4.902 4.130 5.409 0.009 9 0 "[ . 1]" 1
375 1 1 DG H8 1 20 DG H1 4.200 3.000 5.400 4.877 4.108 5.408 0.008 8 0 "[ . 1]" 1
376 1 2 DG H1 1 20 DG H1 3.800 2.600 5.000 3.488 2.872 4.165 . 0 0 "[ . 1]" 1
377 1 17 DG H1 1 20 DG H1 5.200 3.000 7.400 4.394 3.933 5.074 . 0 0 "[ . 1]" 1
378 1 17 DG H1 1 20 DG H8 5.200 3.000 7.400 5.447 4.994 6.336 . 0 0 "[ . 1]" 1
379 1 21 DG H1 1 25 DG H1 5.200 3.000 7.400 4.317 3.929 4.550 . 0 0 "[ . 1]" 1
380 1 21 DG H1 1 25 DG H8 4.200 3.000 5.400 4.920 4.248 5.428 0.028 8 0 "[ . 1]" 1
381 1 21 DG H1 1 22 DA H2 5.200 3.000 7.400 4.241 3.419 5.687 . 0 0 "[ . 1]" 1
382 1 17 DG H1 1 22 DA H2 4.200 3.000 5.400 3.834 2.998 5.448 0.048 8 0 "[ . 1]" 1
383 1 22 DA H2 1 28 DG H1 5.200 3.000 7.400 6.080 4.950 7.355 . 0 0 "[ . 1]" 1
384 1 17 DG H1 1 24 DT C7 5.200 3.000 7.900 6.543 5.190 7.332 . 0 0 "[ . 1]" 1
385 1 21 DG H1 1 24 DT C7 4.200 3.000 6.000 5.518 4.289 6.016 0.016 3 0 "[ . 1]" 1
386 1 24 DT C7 1 25 DG H1 4.200 3.000 6.000 3.920 3.095 4.466 . 0 0 "[ . 1]" 1
387 1 24 DT H1' 1 25 DG H1 4.200 3.000 5.400 4.147 3.671 5.413 0.013 2 0 "[ . 1]" 1
388 1 21 DG H1 1 24 DT H1' 5.200 3.000 7.400 6.780 5.672 7.432 0.032 8 0 "[ . 1]" 1
389 1 24 DT H2'' 1 25 DG H1 5.200 3.000 7.400 5.769 4.243 6.755 . 0 0 "[ . 1]" 1
390 1 24 DT H2' 1 25 DG H1 5.200 3.000 7.400 5.700 4.668 6.209 . 0 0 "[ . 1]" 1
391 1 24 DT H6 1 25 DG H1 3.800 2.600 5.000 3.622 2.814 4.608 . 0 0 "[ . 1]" 1
392 1 24 DT C7 1 28 DG H1 4.200 3.000 6.000 5.364 3.946 6.022 0.022 2 0 "[ . 1]" 1
393 1 25 DG H1 1 28 DG H8 4.200 3.000 5.400 4.917 4.401 5.362 . 0 0 "[ . 1]" 1
394 1 2 DG H8 1 26 DG H1 4.200 3.000 5.400 4.891 4.207 5.412 0.012 9 0 "[ . 1]" 1
395 1 25 DG H1 1 27 DG H1' 5.200 3.000 7.400 6.288 5.742 6.855 . 0 0 "[ . 1]" 1
396 1 25 DG H1 1 27 DG H1 5.200 3.000 7.400 5.171 4.290 5.775 . 0 0 "[ . 1]" 1
397 1 25 DG H1 1 27 DG H2'' 5.200 3.000 7.400 5.473 4.604 6.450 . 0 0 "[ . 1]" 1
398 1 25 DG H1 1 27 DG H2' 5.200 3.000 7.400 5.423 4.789 6.073 . 0 0 "[ . 1]" 1
399 1 25 DG H1 1 27 DG H8 4.200 3.000 5.400 5.172 4.594 5.426 0.026 4 0 "[ . 1]" 1
400 1 27 DG H1 1 28 DG H1 4.200 3.000 5.400 3.976 3.547 4.643 . 0 0 "[ . 1]" 1
401 1 17 DG H8 1 28 DG H1 4.200 3.000 5.400 4.914 4.282 5.410 0.010 2 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 66
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 14.190
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0097
_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 0.243 0.023 1 0 "[ . 1]"
1 2 DG 0.156 0.020 6 0 "[ . 1]"
1 5 DG 0.101 0.033 10 0 "[ . 1]"
1 6 DG 0.061 0.013 10 0 "[ . 1]"
1 7 DC 0.098 0.030 9 0 "[ . 1]"
1 11 DG 0.098 0.030 9 0 "[ . 1]"
1 12 DC 0.061 0.013 10 0 "[ . 1]"
1 13 DC 0.101 0.033 10 0 "[ . 1]"
1 15 DG 0.147 0.041 9 0 "[ . 1]"
1 16 DG 0.125 0.027 7 0 "[ . 1]"
1 17 DG 0.290 0.054 8 0 "[ . 1]"
1 19 DG 0.086 0.013 6 0 "[ . 1]"
1 20 DG 0.151 0.022 6 0 "[ . 1]"
1 21 DG 0.321 0.054 8 0 "[ . 1]"
1 25 DG 0.199 0.023 5 0 "[ . 1]"
1 26 DG 0.217 0.041 9 0 "[ . 1]"
1 27 DG 0.217 0.027 7 0 "[ . 1]"
1 28 DG 0.168 0.021 7 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 2 DG H21 1 19 DG N7 2.000 . 2.200 1.920 1.792 2.169 0.008 10 0 "[ . 1]" 2
2 1 2 DG N2 1 19 DG N7 2.900 2.600 3.200 2.888 2.760 3.149 . 0 0 "[ . 1]" 2
3 1 2 DG H1 1 19 DG O6 2.000 . 2.200 2.141 1.931 2.213 0.013 6 0 "[ . 1]" 2
4 1 2 DG N1 1 19 DG O6 2.900 2.600 3.200 3.016 2.695 3.152 . 0 0 "[ . 1]" 2
5 1 15 DG N7 1 19 DG H21 2.000 . 2.200 1.987 1.790 2.202 0.010 9 0 "[ . 1]" 2
6 1 15 DG N7 1 19 DG N2 2.900 2.600 3.200 2.966 2.658 3.209 0.009 8 0 "[ . 1]" 2
7 1 15 DG O6 1 19 DG H1 2.000 . 2.200 2.105 1.907 2.204 0.004 4 0 "[ . 1]" 2
8 1 15 DG O6 1 19 DG N1 2.900 2.600 3.200 3.037 2.872 3.147 . 0 0 "[ . 1]" 2
9 1 15 DG H21 1 26 DG N7 2.000 . 2.200 2.034 1.823 2.241 0.041 9 0 "[ . 1]" 2
10 1 15 DG N2 1 26 DG N7 2.900 2.600 3.200 3.009 2.812 3.210 0.010 9 0 "[ . 1]" 2
11 1 15 DG H1 1 26 DG O6 2.000 . 2.200 2.171 1.993 2.217 0.017 7 0 "[ . 1]" 2
12 1 15 DG N1 1 26 DG O6 2.900 2.600 3.200 3.053 2.928 3.191 . 0 0 "[ . 1]" 2
13 1 2 DG N7 1 26 DG H21 2.000 . 2.200 1.913 1.780 2.198 0.020 6 0 "[ . 1]" 2
14 1 2 DG N7 1 26 DG N2 2.900 2.600 3.200 2.879 2.724 3.168 . 0 0 "[ . 1]" 2
15 1 2 DG O6 1 26 DG H1 2.000 . 2.200 2.150 2.004 2.216 0.016 6 0 "[ . 1]" 2
16 1 2 DG O6 1 26 DG N1 2.900 2.600 3.200 3.074 2.885 3.158 . 0 0 "[ . 1]" 2
17 1 1 DG H21 1 27 DG N7 2.000 . 2.200 2.110 1.777 2.216 0.023 1 0 "[ . 1]" 2
18 1 1 DG N2 1 27 DG N7 2.900 2.600 3.200 3.094 2.717 3.217 0.017 6 0 "[ . 1]" 2
19 1 1 DG H1 1 27 DG O6 2.000 . 2.200 2.068 1.799 2.213 0.013 1 0 "[ . 1]" 2
20 1 1 DG N1 1 27 DG O6 2.900 2.600 3.200 3.011 2.720 3.169 . 0 0 "[ . 1]" 2
21 1 16 DG N7 1 27 DG H21 2.000 . 2.200 1.897 1.773 2.118 0.027 7 0 "[ . 1]" 2
22 1 16 DG N7 1 27 DG N2 2.900 2.600 3.200 2.860 2.703 3.111 . 0 0 "[ . 1]" 2
23 1 16 DG O6 1 27 DG H1 2.000 . 2.200 2.129 1.892 2.227 0.027 7 0 "[ . 1]" 2
24 1 16 DG O6 1 27 DG N1 2.900 2.600 3.200 3.070 2.827 3.190 . 0 0 "[ . 1]" 2
25 1 16 DG H21 1 20 DG N7 2.000 . 2.200 2.001 1.790 2.203 0.010 2 0 "[ . 1]" 2
26 1 16 DG N2 1 20 DG N7 2.900 2.600 3.200 2.980 2.683 3.209 0.009 8 0 "[ . 1]" 2
27 1 16 DG H1 1 20 DG O6 2.000 . 2.200 2.097 1.799 2.206 0.006 9 0 "[ . 1]" 2
28 1 16 DG N1 1 20 DG O6 2.900 2.600 3.200 3.005 2.715 3.166 . 0 0 "[ . 1]" 2
29 1 1 DG N7 1 20 DG H21 2.000 . 2.200 1.853 1.778 2.062 0.022 6 0 "[ . 1]" 2
30 1 1 DG N7 1 20 DG N2 2.900 2.600 3.200 2.831 2.729 3.064 . 0 0 "[ . 1]" 2
31 1 1 DG O6 1 20 DG H1 2.000 . 2.200 2.023 1.856 2.218 0.018 7 0 "[ . 1]" 2
32 1 1 DG O6 1 20 DG N1 2.900 2.600 3.200 2.962 2.764 3.149 . 0 0 "[ . 1]" 2
33 1 25 DG H21 1 28 DG N7 2.000 . 2.200 2.044 1.790 2.208 0.010 7 0 "[ . 1]" 2
34 1 25 DG N2 1 28 DG N7 2.900 2.600 3.200 3.036 2.794 3.212 0.012 3 0 "[ . 1]" 2
35 1 25 DG H1 1 28 DG O6 2.000 . 2.200 2.098 1.850 2.216 0.016 4 0 "[ . 1]" 2
36 1 25 DG N1 1 28 DG O6 2.900 2.600 3.200 2.984 2.750 3.180 . 0 0 "[ . 1]" 2
37 1 17 DG N7 1 28 DG H21 2.000 . 2.200 1.861 1.779 2.157 0.021 7 0 "[ . 1]" 2
38 1 17 DG N7 1 28 DG N2 2.900 2.600 3.200 2.829 2.755 3.115 . 0 0 "[ . 1]" 2
39 1 17 DG O6 1 28 DG H1 2.000 . 2.200 2.105 1.953 2.218 0.018 6 0 "[ . 1]" 2
40 1 17 DG O6 1 28 DG N1 2.900 2.600 3.200 3.048 2.936 3.182 . 0 0 "[ . 1]" 2
41 1 17 DG H21 1 21 DG N7 2.000 . 2.200 1.843 1.746 2.064 0.054 8 0 "[ . 1]" 2
42 1 17 DG N2 1 21 DG N7 2.900 2.600 3.200 2.807 2.601 3.055 . 0 0 "[ . 1]" 2
43 1 17 DG H1 1 21 DG O6 2.000 . 2.200 2.165 1.816 2.227 0.027 8 0 "[ . 1]" 2
44 1 17 DG N1 1 21 DG O6 2.900 2.600 3.200 2.998 2.612 3.170 . 0 0 "[ . 1]" 2
45 1 21 DG H21 1 25 DG N7 2.000 . 2.200 1.901 1.777 2.160 0.023 5 0 "[ . 1]" 2
46 1 21 DG N2 1 25 DG N7 2.900 2.600 3.200 2.844 2.593 3.166 0.007 8 0 "[ . 1]" 2
47 1 21 DG H1 1 25 DG O6 2.000 . 2.200 2.102 1.795 2.212 0.012 5 0 "[ . 1]" 2
48 1 21 DG N1 1 25 DG O6 2.900 2.600 3.200 2.974 2.761 3.152 . 0 0 "[ . 1]" 2
49 1 5 DG H21 1 13 DC O2 2.000 . 2.200 1.923 1.796 2.231 0.031 10 0 "[ . 1]" 2
50 1 5 DG N2 1 13 DC O2 2.900 2.600 3.200 2.910 2.769 3.224 0.024 10 0 "[ . 1]" 2
51 1 5 DG H1 1 13 DC N3 2.000 . 2.200 1.957 1.767 2.134 0.033 10 0 "[ . 1]" 2
52 1 5 DG N1 1 13 DC N3 2.900 2.600 3.200 2.939 2.699 3.127 . 0 0 "[ . 1]" 2
53 1 5 DG O6 1 13 DC H41 2.000 . 2.200 2.023 1.799 2.203 0.003 10 0 "[ . 1]" 2
54 1 5 DG O6 1 13 DC N4 2.900 2.600 3.200 2.960 2.764 3.162 . 0 0 "[ . 1]" 2
55 1 6 DG H21 1 12 DC O2 2.000 . 2.200 1.888 1.792 2.206 0.008 2 0 "[ . 1]" 2
56 1 6 DG N2 1 12 DC O2 2.900 2.600 3.200 2.879 2.693 3.202 0.002 10 0 "[ . 1]" 2
57 1 6 DG H1 1 12 DC N3 2.000 . 2.200 1.887 1.814 2.024 . 0 0 "[ . 1]" 2
58 1 6 DG N1 1 12 DC N3 2.900 2.600 3.200 2.858 2.587 3.025 0.013 10 0 "[ . 1]" 2
59 1 6 DG O6 1 12 DC H41 2.000 . 2.200 1.882 1.795 2.202 0.005 4 0 "[ . 1]" 2
60 1 6 DG O6 1 12 DC N4 2.900 2.600 3.200 2.812 2.591 3.006 0.009 10 0 "[ . 1]" 2
61 1 7 DC O2 1 11 DG H21 2.000 . 2.200 1.889 1.770 2.052 0.030 9 0 "[ . 1]" 2
62 1 7 DC O2 1 11 DG N2 2.900 2.600 3.200 2.820 2.600 2.995 0.000 9 0 "[ . 1]" 2
63 1 7 DC N3 1 11 DG H1 2.000 . 2.200 2.043 1.940 2.108 . 0 0 "[ . 1]" 2
64 1 7 DC N3 1 11 DG N1 2.900 2.600 3.200 2.957 2.880 3.012 . 0 0 "[ . 1]" 2
65 1 7 DC H41 1 11 DG O6 2.000 . 2.200 2.156 2.062 2.220 0.020 9 0 "[ . 1]" 2
66 1 7 DC N4 1 11 DG O6 2.900 2.600 3.200 3.060 2.959 3.177 . 0 0 "[ . 1]" 2
stop_
save_
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