NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370405 |
1but   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1but
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 286
_Distance_constraint_stats_list.Viol_count 2197
_Distance_constraint_stats_list.Viol_total 9645.480
_Distance_constraint_stats_list.Viol_max 1.481
_Distance_constraint_stats_list.Viol_rms 0.3335
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3373
_Distance_constraint_stats_list.Viol_average_violations_only 0.4390
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 25.819 1.121 4 10 [***+*****-]
1 2 DA 81.329 1.187 6 10 [**-**+****]
1 3 DT 93.477 1.447 4 10 [**-+******]
1 4 DG 54.171 0.965 5 10 [****+****-]
1 5 DG 78.798 1.079 6 10 [*****+-***]
1 6 DC 81.429 1.079 6 10 [***-*+****]
1 7 DC 52.657 1.197 3 10 [**+-******]
1 8 DA 78.914 1.197 3 10 [**+******-]
1 9 DT 82.974 1.478 2 10 [*+*******-]
1 10 DG 40.212 1.376 10 10 [******-**+]
2 1 DC 27.207 1.132 3 10 [**+*-*****]
2 2 DA 81.742 1.163 5 10 [**-*+*****]
2 3 DT 93.587 1.448 10 10 [*******-*+]
2 4 DG 55.119 0.959 10 10 [*-*******+]
2 5 DG 79.283 1.096 7 10 [***-**+***]
2 6 DC 81.479 1.096 7 10 [*-****+***]
2 7 DC 51.946 1.188 7 10 [*-****+***]
2 8 DA 77.809 1.188 7 10 [******+**-]
2 9 DT 81.193 1.481 1 10 [+********-]
2 10 DG 38.922 1.341 4 10 [*-*+******]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC H1' 1 1 DC H2' . . 2.840 3.045 2.930 3.102 0.262 2 0 "[ . 1]" 1
2 1 1 DC H2' 1 1 DC H6 . . 2.330 2.794 2.758 2.868 0.538 8 2 "[ . + -]" 1
3 1 1 DC H2' 1 1 DC H3' . . 2.460 2.414 2.327 2.458 . 0 0 "[ . 1]" 1
4 1 1 DC H1' 1 1 DC H2'' . . 2.300 2.382 2.339 2.420 0.120 2 0 "[ . 1]" 1
5 1 1 DC H2'' 1 1 DC H6 . . 3.920 4.023 3.910 4.079 0.159 5 0 "[ . 1]" 1
6 1 1 DC H1' 1 2 DA H8 . . 3.680 4.667 4.443 4.801 1.121 4 10 [***+**-***] 1
7 1 1 DC H2' 1 2 DA H8 . . 3.020 3.375 3.117 3.474 0.454 6 0 "[ . 1]" 1
8 1 1 DC H2'' 1 2 DA H8 . . 2.820 2.750 2.665 2.863 0.043 8 0 "[ . 1]" 1
9 1 2 DA H1' 1 2 DA H8 . . 3.140 3.845 3.832 3.853 0.713 5 10 [-***+*****] 1
10 1 2 DA H1' 1 2 DA H3' . . 3.370 3.853 3.815 3.889 0.519 1 2 "[+ - . 1]" 1
11 1 2 DA H3' 1 2 DA H8 . . 3.560 4.048 3.956 4.111 0.551 9 5 "[ * -** +1]" 1
12 1 2 DA H1' 1 2 DA Q2' . . 2.040 2.315 2.282 2.338 0.298 3 0 "[ . 1]" 1
13 1 2 DA Q2' 1 2 DA H8 . . 2.050 2.203 2.164 2.244 0.194 8 0 "[ . 1]" 1
14 1 2 DA Q2' 1 2 DA H3' . . 2.050 2.140 2.113 2.171 0.121 4 0 "[ . 1]" 1
15 1 2 DA H1' 1 3 DT Q5' . . 2.680 2.811 2.755 2.890 0.210 8 0 "[ . 1]" 1
16 1 2 DA H1' 1 3 DT H4' . . 2.840 3.999 3.973 4.027 1.187 6 10 [**-**+****] 1
17 1 3 DT H1' 1 3 DT H4' . . 2.410 2.758 2.738 2.778 0.368 3 0 "[ . 1]" 1
18 1 2 DA H1' 1 3 DT H6 . . 2.980 3.522 3.467 3.555 0.575 1 9 "[+*- ******]" 1
19 1 2 DA H8 1 3 DT H6 . . 4.360 4.773 4.727 4.797 0.437 4 0 "[ . 1]" 1
20 1 2 DA H3' 1 3 DT H6 . . 3.810 4.798 4.775 4.814 1.004 4 10 [-**+******] 1
21 1 2 DA Q2' 1 3 DT H6 . . 2.180 2.112 2.095 2.119 . 0 0 "[ . 1]" 1
22 1 3 DT Q5' 1 3 DT H6 . . 3.280 3.958 3.946 3.979 0.699 8 10 [****-**+**] 1
23 1 3 DT H4' 1 3 DT H6 . . 3.000 4.440 4.433 4.447 1.447 4 10 [*-*+******] 1
24 1 3 DT H1' 1 3 DT H6 . . 3.240 3.670 3.665 3.677 0.437 4 0 "[ . 1]" 1
25 1 2 DA H1' 1 3 DT M7 . . 4.560 4.096 4.009 4.144 . 0 0 "[ . 1]" 1
26 1 2 DA H8 1 3 DT M7 . . 3.370 2.766 2.623 2.957 . 0 0 "[ . 1]" 1
27 1 2 DA H3' 1 3 DT M7 . . 4.620 4.068 3.998 4.123 . 0 0 "[ . 1]" 1
28 1 2 DA Q2' 1 3 DT M7 . . 3.220 2.203 2.077 2.277 . 0 0 "[ . 1]" 1
29 1 3 DT H3' 1 3 DT Q5' . . 2.860 2.517 2.498 2.532 . 0 0 "[ . 1]" 1
30 1 3 DT H1' 1 3 DT H3' . . 3.490 3.819 3.811 3.824 0.334 8 0 "[ . 1]" 1
31 1 3 DT H3' 1 3 DT H6 . . 3.010 3.834 3.824 3.850 0.840 3 10 [**+-******] 1
32 1 3 DT H1' 1 3 DT Q2' . . 2.160 2.250 2.243 2.255 0.095 9 0 "[ . 1]" 1
33 1 3 DT Q2' 1 3 DT H6 . . 1.950 2.260 2.249 2.274 0.324 2 0 "[ . 1]" 1
34 1 3 DT Q2' 1 3 DT H3' . . 2.170 2.174 2.170 2.181 0.011 3 0 "[ . 1]" 1
35 1 3 DT H1' 1 4 DG H8 . . 3.570 4.526 4.517 4.535 0.965 5 10 [****+**-**] 1
36 1 3 DT H6 1 4 DG H8 . . 4.350 4.368 4.343 4.406 0.056 3 0 "[ . 1]" 1
37 1 3 DT H3' 1 4 DG H8 . . 3.900 4.588 4.541 4.618 0.718 4 10 [***+-*****] 1
38 1 3 DT Q2' 1 4 DG H8 . . 2.740 2.427 2.417 2.433 . 0 0 "[ . 1]" 1
39 1 4 DG H1' 1 4 DG H8 . . 3.260 3.858 3.851 3.865 0.605 2 10 [*+*****-**] 1
40 1 4 DG H1' 1 4 DG H3' . . 3.400 3.797 3.792 3.801 0.401 1 0 "[ . 1]" 1
41 1 4 DG H3' 1 4 DG H8 . . 3.460 4.246 4.237 4.255 0.795 6 10 [*****+*-**] 1
42 1 4 DG H1' 1 4 DG Q2' . . 2.160 2.352 2.348 2.355 0.195 6 0 "[ . 1]" 1
43 1 4 DG Q2' 1 4 DG H8 . . 1.990 2.146 2.138 2.153 0.163 3 0 "[ . 1]" 1
44 1 4 DG Q2' 1 4 DG H3' . . 2.130 2.152 2.150 2.155 0.025 3 0 "[ . 1]" 1
45 1 4 DG H1' 1 5 DG Q5' . . 2.760 2.732 2.721 2.760 . 0 0 "[ . 1]" 1
46 1 4 DG H1' 1 5 DG H8 . . 2.620 3.085 3.077 3.095 0.475 8 0 "[ . 1]" 1
47 1 4 DG Q2' 1 5 DG H8 . . 2.300 2.180 2.175 2.192 . 0 0 "[ . 1]" 1
48 1 5 DG Q5' 1 5 DG H8 . . 3.090 3.745 3.736 3.751 0.661 7 10 [***-**+***] 1
49 1 5 DG H1' 1 5 DG H8 . . 3.350 3.828 3.825 3.831 0.481 10 0 "[ . 1]" 1
50 1 5 DG H1' 1 5 DG H3' . . 3.450 3.859 3.853 3.864 0.414 5 0 "[ . 1]" 1
51 1 5 DG H3' 1 5 DG H8 . . 3.470 4.081 4.070 4.091 0.621 4 10 [***+**-***] 1
52 1 5 DG H1' 1 5 DG Q2' . . 2.140 2.303 2.298 2.306 0.166 6 0 "[ . 1]" 1
53 1 5 DG Q2' 1 5 DG H8 . . 2.050 2.322 2.304 2.349 0.299 10 0 "[ . 1]" 1
54 1 5 DG Q2' 1 5 DG H3' . . 2.100 2.159 2.156 2.164 0.064 5 0 "[ . 1]" 1
55 1 5 DG H1' 1 6 DC Q5' . . 2.540 3.030 3.004 3.053 0.513 1 5 "[+** . -* 1]" 1
56 1 5 DG H1' 1 6 DC H6 . . 2.990 3.576 3.570 3.585 0.595 8 10 [******-+**] 1
57 1 5 DG H3' 1 6 DC H6 . . 3.710 4.784 4.780 4.789 1.079 6 10 [***-*+****] 1
58 1 5 DG Q2' 1 6 DC H6 . . 2.260 2.132 2.129 2.135 . 0 0 "[ . 1]" 1
59 1 6 DC Q5' 1 6 DC H6 . . 2.980 3.815 3.801 3.833 0.853 8 10 [*******+*-] 1
60 1 5 DG H1' 1 6 DC H5 . . 3.630 4.501 4.492 4.513 0.883 8 10 [-******+**] 1
61 1 5 DG H8 1 6 DC H5 . . 3.360 3.831 3.791 3.917 0.557 10 1 "[ . +]" 1
62 1 5 DG Q2' 1 6 DC H5 . . 2.890 2.786 2.776 2.798 . 0 0 "[ . 1]" 1
63 1 6 DC H3' 1 6 DC H6 . . 3.220 3.734 3.722 3.743 0.523 6 10 [-****+****] 1
64 1 6 DC Q2' 1 6 DC H6 . . 2.010 2.229 2.215 2.242 0.232 10 0 "[ . 1]" 1
65 1 6 DC Q2' 1 6 DC H5 . . 3.650 4.177 4.161 4.189 0.539 6 10 [-****+****] 1
66 1 6 DC Q2' 1 6 DC H3' . . 2.340 2.207 2.205 2.210 . 0 0 "[ . 1]" 1
67 1 6 DC Q2' 1 7 DC Q5' . . 2.820 2.667 2.660 2.673 . 0 0 "[ . 1]" 1
68 1 6 DC Q2' 1 7 DC H6 . . 2.360 2.292 2.280 2.305 . 0 0 "[ . 1]" 1
69 1 7 DC H1' 1 7 DC H6 . . 3.220 3.705 3.701 3.708 0.488 10 0 "[ . 1]" 1
70 1 6 DC H6 1 7 DC H5 . . 3.400 3.853 3.807 3.901 0.501 4 1 "[ +. 1]" 1
71 1 6 DC H5 1 7 DC H5 . . 3.710 4.149 4.110 4.206 0.496 4 0 "[ . 1]" 1
72 1 6 DC Q2' 1 7 DC H5 . . 2.680 2.927 2.898 2.951 0.271 3 0 "[ . 1]" 1
73 1 7 DC H1' 1 7 DC H3' . . 3.630 3.800 3.788 3.807 0.177 4 0 "[ . 1]" 1
74 1 7 DC H3' 1 7 DC H6 . . 3.110 3.706 3.693 3.734 0.624 5 10 [****+****-] 1
75 1 7 DC H1' 1 7 DC Q2' . . 2.190 2.222 2.214 2.230 0.040 2 0 "[ . 1]" 1
76 1 7 DC Q2' 1 7 DC H3' . . 2.240 2.140 2.136 2.145 . 0 0 "[ . 1]" 1
77 1 7 DC Q2' 1 7 DC H6 . . 2.590 2.077 2.068 2.083 . 0 0 "[ . 1]" 1
78 1 7 DC H1' 1 8 DA H5' . . 3.040 2.355 2.334 2.371 . 0 0 "[ . 1]" 1
79 1 7 DC H1' 1 8 DA H8 . . 3.260 3.991 3.981 4.010 0.750 8 10 [*-*****+**] 1
80 1 7 DC H6 1 8 DA H8 . . 4.300 4.512 4.298 4.676 0.376 10 0 "[ . 1]" 1
81 1 7 DC H3' 1 8 DA H8 . . 3.730 4.903 4.873 4.927 1.197 3 10 [**+*-*****] 1
82 1 7 DC Q2' 1 8 DA H8 . . 2.530 2.352 2.342 2.362 . 0 0 "[ . 1]" 1
83 1 8 DA H1' 1 8 DA H8 . . 3.320 3.864 3.861 3.868 0.548 9 10 [***-****+*] 1
84 1 8 DA H3' 1 8 DA H8 . . 3.310 3.990 3.975 4.005 0.695 6 10 [*****+**-*] 1
85 1 8 DA H1' 1 8 DA Q2' . . 2.110 2.302 2.286 2.308 0.198 1 0 "[ . 1]" 1
86 1 8 DA Q2' 1 8 DA H8 . . 1.990 2.161 2.150 2.172 0.182 9 0 "[ . 1]" 1
87 1 8 DA Q2' 1 8 DA H3' . . 2.090 2.139 2.126 2.155 0.065 10 0 "[ . 1]" 1
88 1 8 DA H1' 1 9 DT Q5' . . 2.630 2.812 2.752 2.874 0.244 4 0 "[ . 1]" 1
89 1 8 DA H1' 1 9 DT H4' . . 2.850 3.667 3.632 3.688 0.838 9 10 [-*******+*] 1
90 1 9 DT H1' 1 9 DT H4' . . 2.450 2.636 2.619 2.663 0.213 4 0 "[ . 1]" 1
91 1 8 DA H1' 1 9 DT H6 . . 3.060 3.575 3.562 3.583 0.523 8 10 [*******+*-] 1
92 1 8 DA H8 1 9 DT H6 . . 3.970 4.451 4.366 4.505 0.535 4 6 "[*-*+. * *]" 1
93 1 8 DA H3' 1 9 DT H6 . . 4.180 4.931 4.918 4.944 0.764 10 10 [***-*****+] 1
94 1 8 DA Q2' 1 9 DT H6 . . 2.380 2.231 2.219 2.245 . 0 0 "[ . 1]" 1
95 1 9 DT H4' 1 9 DT H6 . . 2.930 4.401 4.395 4.408 1.478 2 10 [*+*******-] 1
96 1 9 DT H1' 1 9 DT H6 . . 3.200 3.659 3.651 3.664 0.464 3 0 "[ . 1]" 1
97 1 8 DA H1' 1 9 DT M7 . . 4.680 4.230 4.189 4.285 . 0 0 "[ . 1]" 1
98 1 8 DA H8 1 9 DT M7 . . 3.330 2.658 2.597 2.749 . 0 0 "[ . 1]" 1
99 1 8 DA H3' 1 9 DT M7 . . 4.310 4.222 4.190 4.304 . 0 0 "[ . 1]" 1
100 1 8 DA Q2' 1 9 DT M7 . . 3.410 2.303 2.253 2.427 . 0 0 "[ . 1]" 1
101 1 9 DT H3' 1 9 DT Q5' . . 2.850 2.501 2.458 2.528 . 0 0 "[ . 1]" 1
102 1 9 DT H1' 1 9 DT H3' . . 3.600 3.818 3.813 3.827 0.227 10 0 "[ . 1]" 1
103 1 9 DT H3' 1 9 DT H6 . . 3.090 3.828 3.743 3.889 0.799 5 10 [****+****-] 1
104 1 9 DT H1' 1 9 DT Q2' . . 2.120 2.281 2.260 2.297 0.177 7 0 "[ . 1]" 1
105 1 9 DT Q2' 1 9 DT H6 . . 1.980 2.357 2.342 2.368 0.388 5 0 "[ . 1]" 1
106 1 9 DT Q2' 1 9 DT H3' . . 2.190 2.194 2.188 2.201 0.011 1 0 "[ . 1]" 1
107 1 9 DT H1' 1 10 DG H8 . . 3.620 4.253 4.227 4.276 0.656 5 10 [****+*-***] 1
108 1 9 DT H6 1 10 DG H8 . . 4.120 4.158 4.082 4.283 0.163 10 0 "[ . 1]" 1
109 1 9 DT H3' 1 10 DG H8 . . 3.920 5.175 4.918 5.296 1.376 10 10 [****-****+] 1
110 1 9 DT Q2' 1 10 DG H8 . . 2.810 2.664 2.496 2.744 . 0 0 "[ . 1]" 1
111 1 10 DG H3' 1 10 DG H8 . . 3.230 3.770 3.746 3.785 0.555 10 10 [******-**+] 1
112 1 10 DG Q2' 1 10 DG H8 . . 2.090 2.301 2.296 2.307 0.217 10 0 "[ . 1]" 1
113 1 10 DG Q2' 1 10 DG H3' . . 2.330 2.191 2.187 2.196 . 0 0 "[ . 1]" 1
114 2 1 DC H1' 2 1 DC H2' . . 2.840 3.084 3.080 3.087 0.247 2 0 "[ . 1]" 1
115 2 1 DC H2' 2 1 DC H6 . . 2.330 2.768 2.690 2.849 0.519 5 1 "[ + 1]" 1
116 2 1 DC H2' 2 1 DC H3' . . 2.460 2.449 2.435 2.457 . 0 0 "[ . 1]" 1
117 2 1 DC H1' 2 1 DC H2'' . . 2.300 2.385 2.335 2.402 0.102 2 0 "[ . 1]" 1
118 2 1 DC H2'' 2 1 DC H6 . . 3.920 4.060 3.990 4.152 0.232 5 0 "[ . 1]" 1
119 2 1 DC H1' 2 2 DA H8 . . 3.680 4.782 4.710 4.812 1.132 3 10 [**+*-*****] 1
120 2 1 DC H2' 2 2 DA H8 . . 3.020 3.297 3.090 3.525 0.505 5 1 "[ + 1]" 1
121 2 1 DC H2'' 2 2 DA H8 . . 2.820 2.754 2.627 2.798 . 0 0 "[ . 1]" 1
122 2 2 DA H1' 2 2 DA H8 . . 3.140 3.844 3.832 3.859 0.719 5 10 [****+****-] 1
123 2 2 DA H1' 2 2 DA H3' . . 3.370 3.867 3.836 3.890 0.520 6 5 "[ *- .+ **]" 1
124 2 2 DA H3' 2 2 DA H8 . . 3.560 4.030 3.989 4.075 0.515 5 1 "[ + 1]" 1
125 2 2 DA H1' 2 2 DA Q2' . . 2.040 2.327 2.309 2.339 0.299 1 0 "[ . 1]" 1
126 2 2 DA Q2' 2 2 DA H8 . . 2.050 2.184 2.159 2.232 0.182 3 0 "[ . 1]" 1
127 2 2 DA Q2' 2 2 DA H3' . . 2.040 2.143 2.122 2.166 0.126 10 0 "[ . 1]" 1
128 2 2 DA H1' 2 3 DT Q5' . . 2.680 2.808 2.747 2.850 0.170 2 0 "[ . 1]" 1
129 2 2 DA H1' 2 3 DT H4' . . 2.840 3.976 3.956 4.003 1.163 5 10 [****+****-] 1
130 2 3 DT H1' 2 3 DT H4' . . 2.410 2.755 2.726 2.789 0.379 10 0 "[ . 1]" 1
131 2 2 DA H1' 2 3 DT H6 . . 2.980 3.499 3.433 3.533 0.553 3 8 "[* +****- *]" 1
132 2 2 DA H8 2 3 DT H6 . . 4.360 4.791 4.766 4.818 0.458 10 0 "[ . 1]" 1
133 2 2 DA H3' 2 3 DT H6 . . 3.810 4.803 4.791 4.820 1.010 9 10 [********+-] 1
134 2 2 DA Q2' 2 3 DT H6 . . 2.180 2.113 2.104 2.121 . 0 0 "[ . 1]" 1
135 2 3 DT Q5' 2 3 DT H6 . . 3.280 3.958 3.948 3.983 0.703 3 10 [**+*-*****] 1
136 2 3 DT H4' 2 3 DT H6 . . 3.000 4.439 4.428 4.448 1.448 10 10 [*******-*+] 1
137 2 3 DT H1' 2 3 DT H6 . . 3.240 3.670 3.666 3.674 0.434 9 0 "[ . 1]" 1
138 2 2 DA H1' 2 3 DT M7 . . 4.560 4.097 4.061 4.175 . 0 0 "[ . 1]" 1
139 2 2 DA H8 2 3 DT M7 . . 3.370 2.812 2.692 2.939 . 0 0 "[ . 1]" 1
140 2 2 DA H3' 2 3 DT M7 . . 4.620 4.068 3.996 4.098 . 0 0 "[ . 1]" 1
141 2 2 DA Q2' 2 3 DT M7 . . 3.220 2.204 2.097 2.271 . 0 0 "[ . 1]" 1
142 2 3 DT H3' 2 3 DT Q5' . . 2.860 2.521 2.494 2.562 . 0 0 "[ . 1]" 1
143 2 3 DT H1' 2 3 DT H3' . . 3.490 3.823 3.817 3.832 0.342 2 0 "[ . 1]" 1
144 2 3 DT H3' 2 3 DT H6 . . 3.010 3.832 3.796 3.857 0.847 10 10 [*******-*+] 1
145 2 3 DT H1' 2 3 DT Q2' . . 2.160 2.251 2.235 2.260 0.100 2 0 "[ . 1]" 1
146 2 3 DT Q2' 2 3 DT H6 . . 1.950 2.268 2.253 2.292 0.342 8 0 "[ . 1]" 1
147 2 3 DT Q2' 2 3 DT H3' . . 2.170 2.176 2.168 2.181 0.011 8 0 "[ . 1]" 1
148 2 3 DT H1' 2 4 DG H8 . . 3.570 4.518 4.505 4.529 0.959 10 10 [*-*******+] 1
149 2 3 DT H6 2 4 DG H8 . . 4.350 4.386 4.351 4.520 0.170 8 0 "[ . 1]" 1
150 2 3 DT H3' 2 4 DG H8 . . 3.900 4.603 4.580 4.627 0.727 9 10 [********+-] 1
151 2 3 DT Q2' 2 4 DG H8 . . 2.740 2.429 2.421 2.436 . 0 0 "[ . 1]" 1
152 2 4 DG H1' 2 4 DG H8 . . 3.260 3.866 3.860 3.871 0.611 9 10 [**-*****+*] 1
153 2 4 DG H1' 2 4 DG H3' . . 3.400 3.792 3.785 3.799 0.399 4 0 "[ . 1]" 1
154 2 4 DG H3' 2 4 DG H8 . . 3.460 4.256 4.249 4.265 0.805 8 10 [***-***+**] 1
155 2 4 DG H1' 2 4 DG Q2' . . 2.160 2.347 2.340 2.355 0.195 2 0 "[ . 1]" 1
156 2 4 DG Q2' 2 4 DG H8 . . 1.990 2.154 2.144 2.162 0.172 10 0 "[ . 1]" 1
157 2 4 DG Q2' 2 4 DG H3' . . 2.130 2.151 2.149 2.153 0.023 7 0 "[ . 1]" 1
158 2 4 DG H1' 2 5 DG Q5' . . 2.760 2.735 2.719 2.761 0.001 7 0 "[ . 1]" 1
159 2 4 DG H1' 2 5 DG H8 . . 2.620 3.090 3.082 3.097 0.477 7 0 "[ . 1]" 1
160 2 4 DG Q2' 2 5 DG H8 . . 2.300 2.186 2.172 2.205 . 0 0 "[ . 1]" 1
161 2 5 DG Q5' 2 5 DG H8 . . 3.090 3.743 3.734 3.754 0.664 7 10 [***-**+***] 1
162 2 5 DG H1' 2 5 DG H8 . . 3.350 3.828 3.821 3.833 0.483 3 0 "[ . 1]" 1
163 2 5 DG H1' 2 5 DG H3' . . 3.450 3.856 3.852 3.863 0.413 6 0 "[ . 1]" 1
164 2 5 DG H3' 2 5 DG H8 . . 3.470 4.089 4.077 4.107 0.637 2 10 [*+*****-**] 1
165 2 5 DG H1' 2 5 DG Q2' . . 2.140 2.298 2.294 2.303 0.163 7 0 "[ . 1]" 1
166 2 5 DG Q2' 2 5 DG H8 . . 2.050 2.336 2.311 2.358 0.308 3 0 "[ . 1]" 1
167 2 5 DG Q2' 2 5 DG H3' . . 2.100 2.160 2.157 2.164 0.064 5 0 "[ . 1]" 1
168 2 5 DG H1' 2 6 DC Q5' . . 2.550 3.002 2.907 3.053 0.503 4 1 "[ +. 1]" 1
169 2 5 DG H1' 2 6 DC H6 . . 2.990 3.591 3.582 3.599 0.609 3 10 [**+***-***] 1
170 2 5 DG H3' 2 6 DC H6 . . 3.710 4.800 4.795 4.806 1.096 7 10 [*****-+***] 1
171 2 5 DG Q2' 2 6 DC H6 . . 2.260 2.161 2.154 2.167 . 0 0 "[ . 1]" 1
172 2 6 DC Q5' 2 6 DC H6 . . 2.980 3.851 3.825 3.869 0.889 4 10 [***+-*****] 1
173 2 5 DG H1' 2 6 DC H5 . . 3.630 4.507 4.479 4.526 0.896 6 10 [-****+****] 1
174 2 5 DG H8 2 6 DC H5 . . 3.360 3.854 3.775 3.925 0.565 10 4 "[ - * * +]" 1
175 2 5 DG Q2' 2 6 DC H5 . . 2.890 2.804 2.787 2.828 . 0 0 "[ . 1]" 1
176 2 6 DC H3' 2 6 DC H6 . . 3.220 3.740 3.723 3.754 0.534 5 10 [*-**+*****] 1
177 2 6 DC Q2' 2 6 DC H6 . . 2.000 2.219 2.205 2.235 0.235 5 0 "[ . 1]" 1
178 2 6 DC Q2' 2 6 DC H5 . . 3.650 4.182 4.166 4.204 0.554 5 10 [*-**+*****] 1
179 2 6 DC Q2' 2 6 DC H3' . . 2.340 2.206 2.203 2.208 . 0 0 "[ . 1]" 1
180 2 6 DC Q2' 2 7 DC Q5' . . 2.820 2.666 2.659 2.672 . 0 0 "[ . 1]" 1
181 2 6 DC Q2' 2 7 DC H6 . . 2.360 2.291 2.277 2.304 . 0 0 "[ . 1]" 1
182 2 7 DC H1' 2 7 DC H6 . . 3.220 3.703 3.695 3.709 0.489 4 0 "[ . 1]" 1
183 2 6 DC H6 2 7 DC H5 . . 3.400 3.805 3.729 3.901 0.501 2 1 "[ + . 1]" 1
184 2 6 DC H5 2 7 DC H5 . . 3.710 4.129 4.064 4.209 0.499 2 0 "[ . 1]" 1
185 2 6 DC Q2' 2 7 DC H5 . . 2.680 2.920 2.891 2.937 0.257 3 0 "[ . 1]" 1
186 2 7 DC H1' 2 7 DC H3' . . 3.630 3.802 3.795 3.810 0.180 10 0 "[ . 1]" 1
187 2 7 DC H3' 2 7 DC H6 . . 3.100 3.702 3.687 3.721 0.621 8 10 [******-+**] 1
188 2 7 DC H1' 2 7 DC Q2' . . 2.190 2.226 2.219 2.232 0.042 6 0 "[ . 1]" 1
189 2 7 DC Q2' 2 7 DC H3' . . 2.240 2.139 2.137 2.141 . 0 0 "[ . 1]" 1
190 2 7 DC Q2' 2 7 DC H6 . . 2.580 2.074 2.067 2.077 . 0 0 "[ . 1]" 1
191 2 7 DC H1' 2 8 DA H5' . . 3.050 2.281 2.259 2.305 . 0 0 "[ . 1]" 1
192 2 7 DC H1' 2 8 DA H8 . . 3.260 3.987 3.976 4.000 0.740 10 10 [********-+] 1
193 2 7 DC H6 2 8 DA H8 . . 4.300 4.492 4.407 4.593 0.293 10 0 "[ . 1]" 1
194 2 7 DC H3' 2 8 DA H8 . . 3.730 4.903 4.891 4.918 1.188 7 10 [*-****+***] 1
195 2 7 DC Q2' 2 8 DA H8 . . 2.530 2.351 2.345 2.359 . 0 0 "[ . 1]" 1
196 2 8 DA H1' 2 8 DA H8 . . 3.320 3.866 3.861 3.870 0.550 3 10 [**+****-**] 1
197 2 8 DA H3' 2 8 DA H8 . . 3.310 3.997 3.972 4.014 0.704 5 10 [***-+*****] 1
198 2 8 DA H1' 2 8 DA Q2' . . 2.110 2.307 2.293 2.314 0.204 5 0 "[ . 1]" 1
199 2 8 DA Q2' 2 8 DA H8 . . 1.990 2.171 2.155 2.198 0.208 6 0 "[ . 1]" 1
200 2 8 DA Q2' 2 8 DA H3' . . 2.090 2.133 2.115 2.154 0.064 4 0 "[ . 1]" 1
201 2 8 DA H1' 2 9 DT Q5' . . 2.630 2.741 2.603 2.820 0.190 8 0 "[ . 1]" 1
202 2 8 DA H1' 2 9 DT H4' . . 2.850 3.664 3.650 3.677 0.827 5 10 [***-+*****] 1
203 2 9 DT H1' 2 9 DT H4' . . 2.450 2.640 2.623 2.649 0.199 3 0 "[ . 1]" 1
204 2 8 DA H1' 2 9 DT H6 . . 3.060 3.557 3.545 3.571 0.511 4 4 "[ *+. * -]" 1
205 2 8 DA H8 2 9 DT H6 . . 3.970 4.442 4.366 4.479 0.509 4 1 "[ +. 1]" 1
206 2 8 DA H3' 2 9 DT H6 . . 4.180 4.939 4.912 4.961 0.781 9 10 [**-*****+*] 1
207 2 8 DA Q2' 2 9 DT H6 . . 2.380 2.236 2.227 2.245 . 0 0 "[ . 1]" 1
208 2 9 DT H4' 2 9 DT H6 . . 2.930 4.405 4.394 4.411 1.481 1 10 [+******-**] 1
209 2 9 DT H1' 2 9 DT H6 . . 3.200 3.658 3.653 3.663 0.463 1 0 "[ . 1]" 1
210 2 8 DA H1' 2 9 DT M7 . . 4.680 4.212 4.165 4.304 . 0 0 "[ . 1]" 1
211 2 8 DA H8 2 9 DT M7 . . 3.340 2.620 2.494 2.726 . 0 0 "[ . 1]" 1
212 2 8 DA H3' 2 9 DT M7 . . 4.300 4.238 4.166 4.328 0.028 4 0 "[ . 1]" 1
213 2 8 DA Q2' 2 9 DT M7 . . 3.410 2.310 2.230 2.431 . 0 0 "[ . 1]" 1
214 2 9 DT H3' 2 9 DT Q5' . . 2.850 2.513 2.497 2.543 . 0 0 "[ . 1]" 1
215 2 9 DT H1' 2 9 DT H3' . . 3.600 3.814 3.810 3.820 0.220 4 0 "[ . 1]" 1
216 2 9 DT H3' 2 9 DT H6 . . 3.090 3.836 3.808 3.881 0.791 6 10 [*****+-***] 1
217 2 9 DT H1' 2 9 DT Q2' . . 2.120 2.281 2.269 2.290 0.170 8 0 "[ . 1]" 1
218 2 9 DT Q2' 2 9 DT H6 . . 1.980 2.356 2.343 2.368 0.388 8 0 "[ . 1]" 1
219 2 9 DT Q2' 2 9 DT H3' . . 2.190 2.190 2.181 2.196 0.006 4 0 "[ . 1]" 1
220 2 9 DT H1' 2 10 DG H8 . . 3.620 4.262 4.246 4.280 0.660 5 10 [****+**-**] 1
221 2 9 DT H6 2 10 DG H8 . . 4.120 4.117 4.075 4.213 0.093 5 0 "[ . 1]" 1
222 2 9 DT H3' 2 10 DG H8 . . 3.920 5.103 4.936 5.261 1.341 4 10 [***+-*****] 1
223 2 9 DT Q2' 2 10 DG H8 . . 2.810 2.624 2.521 2.732 . 0 0 "[ . 1]" 1
224 2 10 DG H3' 2 10 DG H8 . . 3.230 3.762 3.750 3.774 0.544 4 10 [*-*+******] 1
225 2 10 DG Q2' 2 10 DG H8 . . 2.090 2.298 2.291 2.305 0.215 5 0 "[ . 1]" 1
226 2 10 DG Q2' 2 10 DG H3' . . 2.330 2.194 2.190 2.199 . 0 0 "[ . 1]" 1
227 1 1 DC H3' 1 1 DC H5'' . . 3.310 3.691 3.571 3.750 0.440 9 0 "[ . 1]" 1
228 1 1 DC H5' 1 1 DC H6 . . 3.090 2.297 2.244 2.338 . 0 0 "[ . 1]" 1
229 1 1 DC H3' 1 1 DC H5' . . 3.300 3.203 3.167 3.260 . 0 0 "[ . 1]" 1
230 1 2 DA H1' 1 2 DA H4' . . 2.830 2.965 2.851 3.056 0.226 1 0 "[ . 1]" 1
231 1 2 DA H4' 1 2 DA H8 . . 4.180 4.807 4.724 4.865 0.685 5 10 [-***+*****] 1
232 1 2 DA H3' 1 2 DA H4' . . 2.320 2.887 2.875 2.905 0.585 2 10 [-+********] 1
233 1 2 DA Q2' 1 2 DA H4' . . 3.380 3.410 3.373 3.437 0.057 1 0 "[ . 1]" 1
234 1 4 DG H1' 1 4 DG H4' . . 2.750 2.866 2.850 2.893 0.143 8 0 "[ . 1]" 1
235 1 4 DG H4' 1 4 DG H8 . . 4.490 5.041 5.032 5.055 0.565 4 10 [***+*****-] 1
236 1 4 DG H3' 1 4 DG H4' . . 2.420 2.889 2.885 2.892 0.472 10 0 "[ . 1]" 1
237 1 4 DG Q2' 1 4 DG H4' . . 3.470 3.407 3.399 3.415 . 0 0 "[ . 1]" 1
238 1 5 DG H1' 1 5 DG H4' . . 2.810 3.003 2.998 3.009 0.199 5 0 "[ . 1]" 1
239 1 5 DG H4' 1 5 DG H8 . . 4.190 4.624 4.615 4.631 0.441 2 0 "[ . 1]" 1
240 1 5 DG H3' 1 5 DG H4' . . 2.420 2.876 2.873 2.880 0.460 10 0 "[ . 1]" 1
241 1 5 DG Q2' 1 5 DG H4' . . 3.220 3.411 3.410 3.413 0.193 2 0 "[ . 1]" 1
242 1 6 DC H1' 1 6 DC H6 . . 3.190 3.685 3.681 3.689 0.499 7 0 "[ . 1]" 1
243 1 6 DC H1' 1 6 DC H3' . . 3.700 3.854 3.849 3.860 0.160 4 0 "[ . 1]" 1
244 1 6 DC H1' 1 6 DC Q2' . . 2.140 2.267 2.258 2.273 0.133 4 0 "[ . 1]" 1
245 1 6 DC H1' 1 7 DC Q5' . . 2.390 2.432 2.413 2.445 0.055 1 0 "[ . 1]" 1
246 1 6 DC H1' 1 7 DC H6 . . 3.530 4.128 4.121 4.135 0.605 5 10 [****+****-] 1
247 1 7 DC H1' 1 7 DC H4' . . 2.740 2.828 2.818 2.846 0.106 8 0 "[ . 1]" 1
248 1 8 DA H1' 1 8 DA H4' . . 2.820 2.956 2.923 2.983 0.163 10 0 "[ . 1]" 1
249 1 8 DA H4' 1 8 DA H8 . . 4.280 4.856 4.847 4.868 0.588 7 10 [******+*-*] 1
250 1 8 DA H3' 1 8 DA H4' . . 2.300 2.917 2.907 2.924 0.624 8 10 [*******+-*] 1
251 1 8 DA Q2' 1 8 DA H4' . . 3.350 3.416 3.399 3.432 0.082 10 0 "[ . 1]" 1
252 1 10 DG H1' 1 10 DG H8 . . 3.280 3.860 3.855 3.863 0.583 8 10 [****-**+**] 1
253 1 10 DG H1' 1 10 DG H3' . . 3.610 3.831 3.818 3.876 0.266 5 0 "[ . 1]" 1
254 1 10 DG H1' 1 10 DG Q2' . . 2.110 2.251 2.245 2.271 0.161 5 0 "[ . 1]" 1
255 1 10 DG H3' 1 10 DG H5'' . . 2.740 3.132 2.903 3.221 0.481 1 0 "[ . 1]" 1
256 2 1 DC H3' 2 1 DC H5'' . . 3.310 3.745 3.723 3.764 0.454 7 0 "[ . 1]" 1
257 2 1 DC H5' 2 1 DC H6 . . 3.090 2.284 2.125 2.324 . 0 0 "[ . 1]" 1
258 2 1 DC H3' 2 1 DC H5' . . 3.300 3.187 3.129 3.201 . 0 0 "[ . 1]" 1
259 2 2 DA H1' 2 2 DA H4' . . 2.830 3.016 2.914 3.065 0.235 6 0 "[ . 1]" 1
260 2 2 DA H4' 2 2 DA H8 . . 4.180 4.778 4.743 4.860 0.680 5 10 [**-*+*****] 1
261 2 2 DA H3' 2 2 DA H4' . . 2.320 2.883 2.878 2.894 0.574 7 10 [***-**+***] 1
262 2 2 DA Q2' 2 2 DA H4' . . 3.380 3.425 3.393 3.441 0.061 9 0 "[ . 1]" 1
263 2 4 DG H1' 2 4 DG H4' . . 2.750 2.881 2.857 2.921 0.171 8 0 "[ . 1]" 1
264 2 4 DG H4' 2 4 DG H8 . . 4.490 5.068 5.037 5.087 0.597 1 10 [+-********] 1
265 2 4 DG H3' 2 4 DG H4' . . 2.420 2.891 2.886 2.900 0.480 1 0 "[ . 1]" 1
266 2 4 DG Q2' 2 4 DG H4' . . 3.480 3.417 3.402 3.427 . 0 0 "[ . 1]" 1
267 2 5 DG H1' 2 5 DG H4' . . 2.810 3.003 2.976 3.032 0.222 4 0 "[ . 1]" 1
268 2 5 DG H4' 2 5 DG H8 . . 4.190 4.619 4.604 4.626 0.436 6 0 "[ . 1]" 1
269 2 5 DG H3' 2 5 DG H4' . . 2.420 2.881 2.874 2.887 0.467 8 0 "[ . 1]" 1
270 2 5 DG Q2' 2 5 DG H4' . . 3.220 3.410 3.404 3.416 0.196 2 0 "[ . 1]" 1
271 2 6 DC H1' 2 6 DC H6 . . 3.190 3.687 3.680 3.693 0.503 7 1 "[ . + 1]" 1
272 2 6 DC H1' 2 6 DC H3' . . 3.700 3.850 3.846 3.857 0.157 10 0 "[ . 1]" 1
273 2 6 DC H1' 2 6 DC Q2' . . 2.140 2.265 2.259 2.274 0.134 6 0 "[ . 1]" 1
274 2 6 DC H1' 2 7 DC Q5' . . 2.390 2.452 2.437 2.463 0.073 7 0 "[ . 1]" 1
275 2 6 DC H1' 2 7 DC H6 . . 3.530 4.121 4.063 4.136 0.606 6 10 [*****+***-] 1
276 2 7 DC H1' 2 7 DC H4' . . 2.740 2.832 2.822 2.855 0.115 10 0 "[ . 1]" 1
277 2 8 DA H1' 2 8 DA H4' . . 2.820 2.951 2.908 2.996 0.176 4 0 "[ . 1]" 1
278 2 8 DA H4' 2 8 DA H8 . . 4.290 4.854 4.847 4.869 0.579 8 10 [**-****+**] 1
279 2 8 DA H3' 2 8 DA H4' . . 2.300 2.915 2.902 2.926 0.626 5 10 [****+**-**] 1
280 2 8 DA Q2' 2 8 DA H4' . . 3.350 3.417 3.407 3.429 0.079 8 0 "[ . 1]" 1
281 2 10 DG H1' 2 10 DG H8 . . 3.280 3.860 3.856 3.864 0.584 8 10 [****-**+**] 1
282 2 10 DG H1' 2 10 DG H3' . . 3.610 3.837 3.820 3.860 0.250 5 0 "[ . 1]" 1
283 2 10 DG H1' 2 10 DG Q2' . . 2.110 2.250 2.244 2.263 0.153 5 0 "[ . 1]" 1
284 2 10 DG H3' 2 10 DG H5'' . . 2.740 3.107 2.934 3.190 0.450 4 0 "[ . 1]" 1
285 1 4 DG H8 1 5 DG H8 . . 4.500 4.497 4.487 4.508 0.008 4 0 "[ . 1]" 1
286 2 4 DG H8 2 5 DG H8 . . 4.500 4.493 4.462 4.552 0.052 4 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 8
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.226
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0057
_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 2 DA 0.000 0.000 . 0 "[ . 1]"
1 3 DT 0.000 0.000 . 0 "[ . 1]"
1 4 DG 0.012 0.007 10 0 "[ . 1]"
1 5 DG 0.000 0.000 . 0 "[ . 1]"
1 6 DC 0.000 0.000 . 0 "[ . 1]"
1 7 DC 0.011 0.011 1 0 "[ . 1]"
1 8 DA 0.000 0.000 . 0 "[ . 1]"
1 9 DT 0.000 0.000 . 0 "[ . 1]"
2 2 DA 0.000 0.000 . 0 "[ . 1]"
2 3 DT 0.000 0.000 . 0 "[ . 1]"
2 4 DG 0.011 0.011 1 0 "[ . 1]"
2 5 DG 0.000 0.000 . 0 "[ . 1]"
2 6 DC 0.000 0.000 . 0 "[ . 1]"
2 7 DC 0.012 0.007 10 0 "[ . 1]"
2 8 DA 0.000 0.000 . 0 "[ . 1]"
2 9 DT 0.000 0.000 . 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 DA N9 2 9 DT N1 . . 9.000 8.924 8.885 8.965 . 0 0 "[ . 1]" 2
2 1 3 DT N1 2 8 DA N9 . . 9.000 8.912 8.886 8.936 . 0 0 "[ . 1]" 2
3 1 4 DG N9 2 7 DC N1 . . 9.000 8.989 8.949 9.007 0.007 10 0 "[ . 1]" 2
4 1 5 DG N9 2 6 DC N1 . . 9.000 8.959 8.946 8.974 . 0 0 "[ . 1]" 2
5 1 6 DC N1 2 5 DG N9 . . 9.000 8.963 8.953 8.974 . 0 0 "[ . 1]" 2
6 1 7 DC N1 2 4 DG N9 . . 9.000 8.983 8.948 9.011 0.011 1 0 "[ . 1]" 2
7 1 8 DA N9 2 3 DT N1 . . 9.000 8.924 8.886 8.945 . 0 0 "[ . 1]" 2
8 1 9 DT N1 2 2 DA N9 . . 9.000 8.916 8.891 8.954 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 80
_Distance_constraint_stats_list.Viol_count 800
_Distance_constraint_stats_list.Viol_total 742.722
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0385
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0928
_Distance_constraint_stats_list.Viol_average_violations_only 0.0928
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 3.982 0.166 10 0 "[ . 1]"
1 2 DA 4.107 0.161 3 0 "[ . 1]"
1 3 DT 3.512 0.155 9 0 "[ . 1]"
1 4 DG 4.038 0.151 5 0 "[ . 1]"
1 5 DG 3.658 0.161 9 0 "[ . 1]"
1 6 DC 3.615 0.147 8 0 "[ . 1]"
1 7 DC 3.606 0.141 9 0 "[ . 1]"
1 8 DA 3.459 0.155 1 0 "[ . 1]"
1 9 DT 3.624 0.153 5 0 "[ . 1]"
1 10 DG 3.602 0.108 5 0 "[ . 1]"
2 1 DC 3.944 0.140 5 0 "[ . 1]"
2 2 DA 3.928 0.162 6 0 "[ . 1]"
2 3 DT 3.555 0.156 2 0 "[ . 1]"
2 4 DG 4.082 0.150 4 0 "[ . 1]"
2 5 DG 3.679 0.161 6 0 "[ . 1]"
2 6 DC 3.656 0.145 2 0 "[ . 1]"
2 7 DC 3.604 0.141 3 0 "[ . 1]"
2 8 DA 3.409 0.155 4 0 "[ . 1]"
2 9 DT 3.630 0.148 5 0 "[ . 1]"
2 10 DG 3.585 0.105 5 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 DC C4' 1 1 DC O4' . . 1.320 1.422 1.418 1.424 0.104 2 0 "[ . 1]" 3
2 1 1 DC C5' 1 1 DC O4' . . 2.350 2.394 2.382 2.400 0.050 7 0 "[ . 1]" 3
3 1 1 DC C3' 1 1 DC O4' . . 2.240 2.386 2.372 2.406 0.166 10 0 "[ . 1]" 3
4 1 1 DC H4' 1 1 DC O4' . . 1.950 2.057 2.025 2.071 0.121 1 0 "[ . 1]" 3
5 1 2 DA C4' 1 2 DA O4' . . 1.320 1.418 1.416 1.419 0.099 3 0 "[ . 1]" 3
6 1 2 DA C5' 1 2 DA O4' . . 2.350 2.415 2.370 2.458 0.108 2 0 "[ . 1]" 3
7 1 2 DA C3' 1 2 DA O4' . . 2.240 2.393 2.381 2.401 0.161 3 0 "[ . 1]" 3
8 1 2 DA H4' 1 2 DA O4' . . 1.950 2.045 2.025 2.062 0.112 3 0 "[ . 1]" 3
9 1 3 DT C4' 1 3 DT O4' . . 1.320 1.411 1.409 1.412 0.092 1 0 "[ . 1]" 3
10 1 3 DT C5' 1 3 DT O4' . . 2.350 2.407 2.400 2.414 0.064 1 0 "[ . 1]" 3
11 1 3 DT C3' 1 3 DT O4' . . 2.240 2.393 2.392 2.395 0.155 9 0 "[ . 1]" 3
12 1 3 DT H4' 1 3 DT O4' . . 1.950 2.000 1.994 2.007 0.057 3 0 "[ . 1]" 3
13 1 4 DG C4' 1 4 DG O4' . . 1.320 1.416 1.415 1.418 0.098 4 0 "[ . 1]" 3
14 1 4 DG C5' 1 4 DG O4' . . 2.350 2.428 2.423 2.432 0.082 4 0 "[ . 1]" 3
15 1 4 DG C3' 1 4 DG O4' . . 2.240 2.389 2.387 2.391 0.151 5 0 "[ . 1]" 3
16 1 4 DG H4' 1 4 DG O4' . . 1.950 2.030 2.027 2.035 0.085 8 0 "[ . 1]" 3
17 1 5 DG C4' 1 5 DG O4' . . 1.320 1.413 1.412 1.414 0.094 8 0 "[ . 1]" 3
18 1 5 DG C5' 1 5 DG O4' . . 2.350 2.378 2.373 2.384 0.034 10 0 "[ . 1]" 3
19 1 5 DG C3' 1 5 DG O4' . . 2.240 2.399 2.397 2.401 0.161 9 0 "[ . 1]" 3
20 1 5 DG H4' 1 5 DG O4' . . 1.950 2.036 2.033 2.039 0.089 8 0 "[ . 1]" 3
21 1 6 DC C4' 1 6 DC O4' . . 1.320 1.408 1.407 1.409 0.089 7 0 "[ . 1]" 3
22 1 6 DC C5' 1 6 DC O4' . . 2.350 2.390 2.388 2.394 0.044 6 0 "[ . 1]" 3
23 1 6 DC C3' 1 6 DC O4' . . 2.240 2.385 2.384 2.387 0.147 8 0 "[ . 1]" 3
24 1 6 DC H4' 1 6 DC O4' . . 1.950 2.038 2.036 2.040 0.090 5 0 "[ . 1]" 3
25 1 7 DC C4' 1 7 DC O4' . . 1.320 1.412 1.411 1.413 0.093 10 0 "[ . 1]" 3
26 1 7 DC C5' 1 7 DC O4' . . 2.350 2.405 2.401 2.408 0.058 3 0 "[ . 1]" 3
27 1 7 DC C3' 1 7 DC O4' . . 2.240 2.379 2.378 2.381 0.141 9 0 "[ . 1]" 3
28 1 7 DC H4' 1 7 DC O4' . . 1.950 2.025 2.021 2.028 0.078 6 0 "[ . 1]" 3
29 1 8 DA C4' 1 8 DA O4' . . 1.320 1.412 1.411 1.414 0.094 8 0 "[ . 1]" 3
30 1 8 DA C5' 1 8 DA O4' . . 2.350 2.363 2.353 2.378 0.028 4 0 "[ . 1]" 3
31 1 8 DA C3' 1 8 DA O4' . . 2.240 2.391 2.388 2.395 0.155 1 0 "[ . 1]" 3
32 1 8 DA H4' 1 8 DA O4' . . 1.950 2.039 2.034 2.047 0.097 10 0 "[ . 1]" 3
33 1 9 DT C4' 1 9 DT O4' . . 1.320 1.409 1.408 1.412 0.092 5 0 "[ . 1]" 3
34 1 9 DT C5' 1 9 DT O4' . . 2.350 2.455 2.449 2.467 0.117 5 0 "[ . 1]" 3
35 1 9 DT C3' 1 9 DT O4' . . 2.240 2.386 2.382 2.393 0.153 5 0 "[ . 1]" 3
36 1 9 DT H4' 1 9 DT O4' . . 1.950 1.972 1.965 1.979 0.029 4 0 "[ . 1]" 3
37 1 10 DG C4' 1 10 DG O4' . . 1.320 1.413 1.413 1.415 0.095 5 0 "[ . 1]" 3
38 1 10 DG C5' 1 10 DG O4' . . 2.350 2.445 2.440 2.450 0.100 1 0 "[ . 1]" 3
39 1 10 DG C3' 1 10 DG O4' . . 2.240 2.333 2.326 2.348 0.108 5 0 "[ . 1]" 3
40 1 10 DG H4' 1 10 DG O4' . . 1.950 2.029 2.026 2.032 0.082 6 0 "[ . 1]" 3
41 2 1 DC C4' 2 1 DC O4' . . 1.320 1.423 1.421 1.425 0.105 5 0 "[ . 1]" 3
42 2 1 DC C5' 2 1 DC O4' . . 2.350 2.389 2.380 2.430 0.080 5 0 "[ . 1]" 3
43 2 1 DC C3' 2 1 DC O4' . . 2.240 2.375 2.373 2.380 0.140 5 0 "[ . 1]" 3
44 2 1 DC H4' 2 1 DC O4' . . 1.950 2.066 2.057 2.073 0.123 1 0 "[ . 1]" 3
45 2 2 DA C4' 2 2 DA O4' . . 1.320 1.418 1.416 1.421 0.101 6 0 "[ . 1]" 3
46 2 2 DA C5' 2 2 DA O4' . . 2.350 2.382 2.362 2.430 0.080 7 0 "[ . 1]" 3
47 2 2 DA C3' 2 2 DA O4' . . 2.240 2.397 2.389 2.402 0.162 6 0 "[ . 1]" 3
48 2 2 DA H4' 2 2 DA O4' . . 1.950 2.056 2.041 2.064 0.114 6 0 "[ . 1]" 3
49 2 3 DT C4' 2 3 DT O4' . . 1.320 1.411 1.410 1.412 0.092 2 0 "[ . 1]" 3
50 2 3 DT C5' 2 3 DT O4' . . 2.350 2.406 2.403 2.409 0.059 4 0 "[ . 1]" 3
51 2 3 DT C3' 2 3 DT O4' . . 2.240 2.394 2.391 2.396 0.156 2 0 "[ . 1]" 3
52 2 3 DT H4' 2 3 DT O4' . . 1.950 2.004 2.000 2.009 0.059 6 0 "[ . 1]" 3
53 2 4 DG C4' 2 4 DG O4' . . 1.320 1.417 1.415 1.418 0.098 9 0 "[ . 1]" 3
54 2 4 DG C5' 2 4 DG O4' . . 2.350 2.427 2.419 2.432 0.082 9 0 "[ . 1]" 3
55 2 4 DG C3' 2 4 DG O4' . . 2.240 2.387 2.385 2.390 0.150 4 0 "[ . 1]" 3
56 2 4 DG H4' 2 4 DG O4' . . 1.950 2.038 2.031 2.046 0.096 8 0 "[ . 1]" 3
57 2 5 DG C4' 2 5 DG O4' . . 1.320 1.413 1.413 1.415 0.095 6 0 "[ . 1]" 3
58 2 5 DG C5' 2 5 DG O4' . . 2.350 2.380 2.378 2.385 0.035 10 0 "[ . 1]" 3
59 2 5 DG C3' 2 5 DG O4' . . 2.240 2.399 2.396 2.401 0.161 6 0 "[ . 1]" 3
60 2 5 DG H4' 2 5 DG O4' . . 1.950 2.036 2.029 2.041 0.091 4 0 "[ . 1]" 3
61 2 6 DC C4' 2 6 DC O4' . . 1.320 1.410 1.408 1.412 0.092 6 0 "[ . 1]" 3
62 2 6 DC C5' 2 6 DC O4' . . 2.350 2.393 2.390 2.398 0.048 8 0 "[ . 1]" 3
63 2 6 DC C3' 2 6 DC O4' . . 2.240 2.384 2.381 2.385 0.145 2 0 "[ . 1]" 3
64 2 6 DC H4' 2 6 DC O4' . . 1.950 2.039 2.033 2.043 0.093 7 0 "[ . 1]" 3
65 2 7 DC C4' 2 7 DC O4' . . 1.320 1.412 1.411 1.414 0.094 4 0 "[ . 1]" 3
66 2 7 DC C5' 2 7 DC O4' . . 2.350 2.404 2.397 2.410 0.060 9 0 "[ . 1]" 3
67 2 7 DC C3' 2 7 DC O4' . . 2.240 2.380 2.377 2.381 0.141 3 0 "[ . 1]" 3
68 2 7 DC H4' 2 7 DC O4' . . 1.950 2.025 2.022 2.029 0.079 2 0 "[ . 1]" 3
69 2 8 DA C4' 2 8 DA O4' . . 1.320 1.411 1.409 1.414 0.094 4 0 "[ . 1]" 3
70 2 8 DA C5' 2 8 DA O4' . . 2.350 2.362 2.352 2.380 0.030 6 0 "[ . 1]" 3
71 2 8 DA C3' 2 8 DA O4' . . 2.240 2.389 2.382 2.395 0.155 4 0 "[ . 1]" 3
72 2 8 DA H4' 2 8 DA O4' . . 1.950 2.038 2.032 2.046 0.096 4 0 "[ . 1]" 3
73 2 9 DT C4' 2 9 DT O4' . . 1.320 1.410 1.409 1.413 0.093 5 0 "[ . 1]" 3
74 2 9 DT C5' 2 9 DT O4' . . 2.350 2.456 2.448 2.463 0.113 8 0 "[ . 1]" 3
75 2 9 DT C3' 2 9 DT O4' . . 2.240 2.385 2.383 2.388 0.148 5 0 "[ . 1]" 3
76 2 9 DT H4' 2 9 DT O4' . . 1.950 1.972 1.967 1.976 0.026 10 0 "[ . 1]" 3
77 2 10 DG C4' 2 10 DG O4' . . 1.320 1.413 1.412 1.415 0.095 5 0 "[ . 1]" 3
78 2 10 DG C5' 2 10 DG O4' . . 2.350 2.441 2.432 2.447 0.097 4 0 "[ . 1]" 3
79 2 10 DG C3' 2 10 DG O4' . . 2.240 2.335 2.329 2.345 0.105 5 0 "[ . 1]" 3
80 2 10 DG H4' 2 10 DG O4' . . 1.950 2.029 2.028 2.032 0.082 5 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 10.236
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0256
_Distance_constraint_stats_list.Viol_average_violations_only 0.0512
_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 4 DG 0.505 0.061 2 0 "[ . 1]"
1 5 DG 0.505 0.061 2 0 "[ . 1]"
2 4 DG 0.518 0.070 8 0 "[ . 1]"
2 5 DG 0.518 0.070 8 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 4 DG H1' 1 5 DG H4' . . 4.500 4.551 4.537 4.561 0.061 2 0 "[ . 1]" 4
2 2 4 DG H1' 2 5 DG H4' . . 4.500 4.552 4.535 4.570 0.070 8 0 "[ . 1]" 4
3 1 4 DG H1 1 5 DG H1 . . 4.500 3.330 3.299 3.356 . 0 0 "[ . 1]" 4
4 2 4 DG H1 2 5 DG H1 . . 4.500 3.321 3.277 3.366 . 0 0 "[ . 1]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 2.825
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0069
_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 2 DA 0.000 0.000 4 0 "[ . 1]"
1 3 DT 0.074 0.018 3 0 "[ . 1]"
1 4 DG 0.002 0.001 8 0 "[ . 1]"
1 5 DG 0.077 0.014 10 0 "[ . 1]"
1 6 DC 0.037 0.007 4 0 "[ . 1]"
1 7 DC 0.002 0.002 3 0 "[ . 1]"
1 8 DA 0.085 0.016 9 0 "[ . 1]"
1 9 DT 0.005 0.004 4 0 "[ . 1]"
2 2 DA 0.005 0.004 4 0 "[ . 1]"
2 3 DT 0.085 0.016 9 0 "[ . 1]"
2 4 DG 0.002 0.002 3 0 "[ . 1]"
2 5 DG 0.037 0.007 4 0 "[ . 1]"
2 6 DC 0.077 0.014 10 0 "[ . 1]"
2 7 DC 0.002 0.001 8 0 "[ . 1]"
2 8 DA 0.074 0.018 3 0 "[ . 1]"
2 9 DT 0.000 0.000 4 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 DA N1 2 9 DT N3 . 2.720 2.920 2.846 2.828 2.872 . 0 0 "[ . 1]" 5
2 1 2 DA N6 2 9 DT O4 . 2.850 3.050 2.865 2.850 2.884 0.000 4 0 "[ . 1]" 5
3 1 3 DT N3 2 8 DA N1 . 2.720 2.920 2.810 2.791 2.822 . 0 0 "[ . 1]" 5
4 1 3 DT O4 2 8 DA N6 . 2.850 3.050 2.844 2.832 2.856 0.018 3 0 "[ . 1]" 5
5 1 4 DG O6 2 7 DC N4 . 2.810 3.010 2.820 2.811 2.832 . 0 0 "[ . 1]" 5
6 1 4 DG N1 2 7 DC N3 . 2.840 3.050 2.844 2.839 2.847 0.001 8 0 "[ . 1]" 5
7 1 4 DG N2 2 7 DC O2 . 2.760 2.960 2.856 2.852 2.862 . 0 0 "[ . 1]" 5
8 1 5 DG O6 2 6 DC N4 . 2.810 3.010 2.802 2.796 2.807 0.014 10 0 "[ . 1]" 5
9 1 5 DG N1 2 6 DC N3 . 2.840 3.050 2.845 2.842 2.848 . 0 0 "[ . 1]" 5
10 1 5 DG N2 2 6 DC O2 . 2.760 2.960 2.843 2.840 2.850 . 0 0 "[ . 1]" 5
11 1 6 DC N4 2 5 DG O6 . 2.810 3.010 2.806 2.803 2.810 0.007 4 0 "[ . 1]" 5
12 1 6 DC N3 2 5 DG N1 . 2.840 3.050 2.848 2.845 2.850 . 0 0 "[ . 1]" 5
13 1 6 DC O2 2 5 DG N2 . 2.760 2.960 2.844 2.841 2.847 . 0 0 "[ . 1]" 5
14 1 7 DC N4 2 4 DG O6 . 2.810 3.010 2.826 2.815 2.836 . 0 0 "[ . 1]" 5
15 1 7 DC N3 2 4 DG N1 . 2.840 3.050 2.843 2.838 2.846 0.002 3 0 "[ . 1]" 5
16 1 7 DC O2 2 4 DG N2 . 2.760 2.960 2.852 2.842 2.857 . 0 0 "[ . 1]" 5
17 1 8 DA N1 2 3 DT N3 . 2.720 2.920 2.819 2.804 2.832 . 0 0 "[ . 1]" 5
18 1 8 DA N6 2 3 DT O4 . 2.850 3.050 2.842 2.834 2.854 0.016 9 0 "[ . 1]" 5
19 1 9 DT N3 2 2 DA N1 . 2.720 2.920 2.837 2.825 2.857 . 0 0 "[ . 1]" 5
20 1 9 DT O4 2 2 DA N6 . 2.850 3.050 2.855 2.846 2.865 0.004 4 0 "[ . 1]" 5
stop_
save_
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