NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
389038 |
1nev   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nev
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 399
_Distance_constraint_stats_list.Viol_count 952
_Distance_constraint_stats_list.Viol_total 818.462
_Distance_constraint_stats_list.Viol_max 0.342
_Distance_constraint_stats_list.Viol_rms 0.0517
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0205
_Distance_constraint_stats_list.Viol_average_violations_only 0.0860
_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 1.727 0.084 9 0 "[ . 1]"
1 2 DG 3.254 0.174 9 0 "[ . 1]"
1 3 DC 8.905 0.292 9 0 "[ . 1]"
1 4 DA 6.975 0.269 7 0 "[ . 1]"
1 5 DA 3.159 0.138 9 0 "[ . 1]"
1 6 DA 3.495 0.211 2 0 "[ . 1]"
1 7 DA 8.502 0.236 1 0 "[ . 1]"
1 8 DC 7.196 0.234 6 0 "[ . 1]"
1 9 DG 5.534 0.234 6 0 "[ . 1]"
1 10 DG 3.417 0.212 7 0 "[ . 1]"
2 1 DC 11.158 0.262 3 0 "[ . 1]"
2 2 DC 12.878 0.262 3 0 "[ . 1]"
2 3 DG 3.936 0.206 10 0 "[ . 1]"
2 4 DT 3.632 0.115 2 0 "[ . 1]"
2 5 DT 1.265 0.102 8 0 "[ . 1]"
2 6 DT 6.718 0.342 4 0 "[ . 1]"
2 7 DT 4.100 0.156 9 0 "[ . 1]"
2 8 DG 3.190 0.175 6 0 "[ . 1]"
2 9 DC 10.740 0.320 4 0 "[ . 1]"
2 10 DC 12.217 0.320 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 1 DG H1' 1 1 DG H2' 3.050 2.750 3.350 3.033 2.943 3.098 . 0 0 "[ . 1]" 1
2 1 1 DG H1' 1 1 DG H2'' 2.270 2.040 2.500 2.470 2.320 2.574 0.074 10 0 "[ . 1]" 1
3 1 1 DG H1' 1 1 DG H3' 3.940 3.550 4.330 3.728 3.610 3.801 . 0 0 "[ . 1]" 1
4 1 1 DG H1' 1 1 DG H8 3.370 3.030 3.710 3.765 3.729 3.776 0.066 2 0 "[ . 1]" 1
5 1 1 DG H1' 1 2 DG H3' 5.580 5.020 6.140 6.085 5.664 6.206 0.066 3 0 "[ . 1]" 1
6 1 1 DG H1' 1 2 DG H4' 5.040 4.540 5.540 5.262 4.861 5.480 . 0 0 "[ . 1]" 1
7 1 1 DG H1' 1 2 DG H8 3.210 2.890 3.530 3.488 3.104 3.603 0.073 10 0 "[ . 1]" 1
8 1 1 DG H2' 1 1 DG H3' 2.430 2.190 2.670 2.386 2.218 2.487 . 0 0 "[ . 1]" 1
9 1 1 DG H2' 1 1 DG H8 2.250 2.020 2.480 2.282 2.092 2.478 . 0 0 "[ . 1]" 1
10 1 1 DG H2'' 1 1 DG H3' 2.680 2.410 2.950 2.717 2.572 2.878 . 0 0 "[ . 1]" 1
11 1 1 DG H2'' 1 1 DG H8 3.390 3.050 3.730 3.474 3.017 3.750 0.033 9 0 "[ . 1]" 1
12 1 1 DG H3' 1 1 DG H8 4.540 4.090 4.990 4.488 4.248 4.632 . 0 0 "[ . 1]" 1
13 1 1 DG H3' 1 2 DG H8 4.780 4.300 5.260 4.912 4.549 5.322 0.062 9 0 "[ . 1]" 1
14 1 1 DG H4' 1 1 DG H8 4.700 4.230 5.170 4.846 4.643 5.254 0.084 9 0 "[ . 1]" 1
15 1 10 DG H1' 1 10 DG H2' 3.030 2.730 3.330 2.989 2.959 3.060 . 0 0 "[ . 1]" 1
16 1 10 DG H1' 1 10 DG H2'' 2.210 . 2.430 2.366 2.324 2.470 0.040 7 0 "[ . 1]" 1
17 1 10 DG H1' 1 10 DG H3' 3.960 3.560 4.360 3.648 3.629 3.681 . 0 0 "[ . 1]" 1
18 1 10 DG H1' 1 10 DG H8 3.980 3.580 4.380 3.770 3.752 3.816 . 0 0 "[ . 1]" 1
19 1 9 DG H1' 1 10 DG H1' 4.480 4.030 4.930 4.993 4.951 5.037 0.107 5 0 "[ . 1]" 1
20 1 10 DG H2' 1 10 DG H2'' 1.800 . 1.980 1.752 1.742 1.776 . 0 0 "[ . 1]" 1
21 1 10 DG H2' 1 10 DG H3' 2.370 2.130 2.610 2.248 2.238 2.261 . 0 0 "[ . 1]" 1
22 1 10 DG H2' 1 10 DG H8 2.270 2.040 2.500 2.166 2.129 2.201 . 0 0 "[ . 1]" 1
23 1 10 DG H2'' 1 10 DG H3' 3.000 2.700 3.300 2.609 2.594 2.622 0.106 10 0 "[ . 1]" 1
24 1 10 DG H2'' 1 10 DG H4' 3.840 3.460 4.220 4.194 3.945 4.230 0.010 3 0 "[ . 1]" 1
25 1 10 DG H2'' 1 10 DG H8 3.710 3.340 4.080 3.430 3.324 3.504 0.016 7 0 "[ . 1]" 1
26 1 9 DG H1' 1 10 DG H2'' 5.650 5.010 6.290 5.639 5.495 5.776 . 0 0 "[ . 1]" 1
27 1 10 DG H3' 1 10 DG H8 3.720 3.350 4.090 4.268 4.259 4.302 0.212 7 0 "[ . 1]" 1
28 1 9 DG H1' 1 10 DG H3' 6.100 5.490 6.710 5.722 5.558 5.898 . 0 0 "[ . 1]" 1
29 1 9 DG H2'' 1 10 DG H3' 5.960 5.360 6.560 5.850 5.344 6.094 0.016 7 0 "[ . 1]" 1
30 1 10 DG H4' 1 10 DG H8 4.710 4.240 5.180 4.709 4.597 4.905 . 0 0 "[ . 1]" 1
31 1 2 DG H1' 1 2 DG H8 3.430 3.090 3.770 3.816 3.800 3.828 0.058 9 0 "[ . 1]" 1
32 1 2 DG H1' 1 3 DC H1' 4.210 3.790 4.630 4.568 4.354 4.804 0.174 9 0 "[ . 1]" 1
33 1 2 DG H1' 1 3 DC H2' 4.990 4.490 5.490 4.461 4.394 4.525 0.096 9 0 "[ . 1]" 1
34 1 2 DG H1' 1 3 DC H2'' 5.050 4.540 5.560 5.634 5.579 5.661 0.101 4 0 "[ . 1]" 1
35 1 2 DG H1' 1 3 DC H3' 5.270 4.740 5.800 5.338 5.226 5.481 . 0 0 "[ . 1]" 1
36 1 2 DG H1' 1 3 DC H5 3.460 3.110 3.810 3.777 3.631 3.899 0.089 10 0 "[ . 1]" 1
37 1 2 DG H1' 1 3 DC H6 2.930 2.640 3.220 2.847 2.762 2.965 . 0 0 "[ . 1]" 1
38 1 2 DG H2' 1 2 DG H8 2.270 2.040 2.500 2.201 2.161 2.232 . 0 0 "[ . 1]" 1
39 1 2 DG H2' 1 3 DC H5 3.370 3.030 3.710 3.583 3.452 3.668 . 0 0 "[ . 1]" 1
40 1 2 DG H2'' 1 3 DC H5 2.960 2.660 3.260 2.626 2.582 2.716 0.078 10 0 "[ . 1]" 1
41 1 2 DG H3' 1 2 DG H8 4.260 3.830 4.690 4.483 4.407 4.545 . 0 0 "[ . 1]" 1
42 1 2 DG H3' 1 3 DC H6 4.970 4.470 5.470 4.827 4.586 4.955 . 0 0 "[ . 1]" 1
43 1 2 DG H4' 1 2 DG H8 4.730 4.260 5.200 5.007 4.930 5.062 . 0 0 "[ . 1]" 1
44 1 2 DG H4' 1 3 DC H6 5.370 4.830 5.910 5.647 5.595 5.728 . 0 0 "[ . 1]" 1
45 1 2 DG H8 1 3 DC H5 3.380 3.040 3.720 3.695 3.549 3.756 0.036 9 0 "[ . 1]" 1
46 1 2 DG H8 1 3 DC H6 4.830 4.350 5.310 5.065 4.894 5.159 . 0 0 "[ . 1]" 1
47 1 3 DC H1' 1 3 DC H2' 3.100 2.790 3.410 3.084 2.888 3.134 . 0 0 "[ . 1]" 1
48 1 3 DC H1' 1 3 DC H2'' 2.260 2.030 2.490 2.495 2.179 2.567 0.077 6 0 "[ . 1]" 1
49 1 3 DC H1' 1 3 DC H3' 3.870 3.480 4.260 3.756 3.577 3.808 . 0 0 "[ . 1]" 1
50 1 3 DC H1' 1 3 DC H6 3.590 3.230 3.950 3.619 3.563 3.637 . 0 0 "[ . 1]" 1
51 1 3 DC H1' 1 4 DA H2' 4.420 3.980 4.860 4.898 4.698 4.966 0.106 7 0 "[ . 1]" 1
52 1 3 DC H1' 1 4 DA H2'' 6.380 5.740 7.020 6.344 6.078 6.414 . 0 0 "[ . 1]" 1
53 1 3 DC H1' 1 4 DA H3' 6.350 5.710 6.990 6.009 5.868 6.083 . 0 0 "[ . 1]" 1
54 1 3 DC H1' 1 4 DA H4' 5.220 4.700 5.740 4.772 4.662 4.878 0.038 10 0 "[ . 1]" 1
55 1 3 DC H1' 1 4 DA H8 3.900 3.510 4.290 4.224 3.478 4.455 0.165 3 0 "[ . 1]" 1
56 1 3 DC H2' 1 3 DC H2'' 1.780 . 1.960 1.720 1.674 1.734 . 0 0 "[ . 1]" 1
57 1 3 DC H2' 1 3 DC H3' 2.500 2.250 2.750 2.244 2.175 2.277 0.075 9 0 "[ . 1]" 1
58 1 3 DC H2' 1 3 DC H4' 4.000 3.600 4.400 3.762 3.736 3.801 . 0 0 "[ . 1]" 1
59 1 3 DC H2' 1 3 DC H5 3.690 3.320 4.060 4.166 4.143 4.176 0.116 2 0 "[ . 1]" 1
60 1 3 DC H2' 1 3 DC H6 2.300 2.070 2.530 2.032 1.982 2.054 0.088 9 0 "[ . 1]" 1
61 1 3 DC H2' 1 4 DA H8 3.730 3.360 4.100 3.794 3.612 4.134 0.034 10 0 "[ . 1]" 1
62 1 3 DC H2'' 1 3 DC H5 4.770 4.290 5.250 5.245 5.049 5.305 0.055 3 0 "[ . 1]" 1
63 1 3 DC H2'' 1 4 DA H8 2.940 2.650 3.230 2.555 2.487 2.637 0.163 3 0 "[ . 1]" 1
64 1 3 DC H3' 1 3 DC H6 3.270 2.940 3.600 3.797 3.768 3.892 0.292 9 0 "[ . 1]" 1
65 1 3 DC H3' 1 4 DA H8 4.730 4.260 5.200 5.117 4.934 5.205 0.005 5 0 "[ . 1]" 1
66 1 3 DC H5 1 3 DC H6 2.490 2.240 2.740 2.456 2.426 2.478 . 0 0 "[ . 1]" 1
67 1 3 DC H6 1 4 DA H8 5.670 5.020 6.320 5.063 4.994 5.392 0.026 3 0 "[ . 1]" 1
68 1 4 DA H1' 1 4 DA H2' 2.440 2.200 2.680 2.872 2.849 2.949 0.269 7 0 "[ . 1]" 1
69 1 4 DA H1' 1 4 DA H4' 2.780 2.500 3.060 3.159 3.068 3.184 0.124 3 0 "[ . 1]" 1
70 1 4 DA H1' 1 4 DA H8 4.000 3.600 4.400 3.798 3.748 3.840 . 0 0 "[ . 1]" 1
71 1 4 DA H1' 1 5 DA H8 3.120 2.810 3.430 3.131 2.876 3.480 0.050 7 0 "[ . 1]" 1
72 1 4 DA H2 1 5 DA H2 3.310 2.980 3.640 3.740 3.651 3.759 0.119 5 0 "[ . 1]" 1
73 1 4 DA H2 2 8 DG H1' 4.250 3.830 4.670 4.305 4.087 4.564 . 0 0 "[ . 1]" 1
74 1 4 DA H2' 1 4 DA H8 2.180 . 2.400 2.219 2.137 2.405 0.005 9 0 "[ . 1]" 1
75 1 4 DA H2' 1 5 DA H8 3.290 2.820 3.760 3.811 3.770 3.857 0.097 9 0 "[ . 1]" 1
76 1 4 DA H2'' 1 4 DA H8 3.220 2.900 3.540 3.307 3.174 3.630 0.090 9 0 "[ . 1]" 1
77 1 4 DA H4' 1 4 DA H8 5.540 4.990 6.090 5.075 4.869 5.115 0.121 9 0 "[ . 1]" 1
78 1 4 DA H4' 1 5 DA H8 5.660 5.090 6.230 5.819 5.619 5.954 . 0 0 "[ . 1]" 1
79 1 5 DA H1' 1 5 DA H2 4.530 4.080 4.980 4.594 4.504 4.627 . 0 0 "[ . 1]" 1
80 1 5 DA H1' 1 5 DA H2' 2.720 2.450 2.990 3.017 3.013 3.021 0.031 7 0 "[ . 1]" 1
81 1 5 DA H1' 1 5 DA H8 3.320 2.990 3.650 3.762 3.750 3.788 0.138 9 0 "[ . 1]" 1
82 1 5 DA H1' 1 6 DA H8 3.040 2.740 3.340 3.350 3.341 3.357 0.017 3 0 "[ . 1]" 1
83 1 5 DA H2' 1 5 DA H8 2.400 2.160 2.640 2.201 2.154 2.315 0.006 7 0 "[ . 1]" 1
84 1 5 DA H2'' 1 6 DA H8 2.540 2.290 2.790 2.772 2.701 2.816 0.026 8 0 "[ . 1]" 1
85 1 5 DA H4' 1 5 DA H8 4.830 4.350 5.310 5.070 5.009 5.122 . 0 0 "[ . 1]" 1
86 1 6 DA H1' 1 6 DA H2'' 2.060 . 2.270 2.371 2.363 2.381 0.111 5 0 "[ . 1]" 1
87 1 6 DA H1' 1 6 DA H8 3.770 3.390 4.150 3.891 3.877 3.909 . 0 0 "[ . 1]" 1
88 1 6 DA H1' 1 7 DA H8 3.120 2.560 3.680 3.594 3.496 3.688 0.008 3 0 "[ . 1]" 1
89 1 6 DA H2 1 7 DA H2 3.480 3.130 3.830 3.128 3.109 3.183 0.021 3 0 "[ . 1]" 1
90 1 6 DA H2 2 5 DT H1' 5.600 4.850 6.350 5.045 4.988 5.109 . 0 0 "[ . 1]" 1
91 1 6 DA H2 2 6 DT H1' 3.570 3.210 3.930 3.940 3.858 3.977 0.047 6 0 "[ . 1]" 1
92 1 6 DA H2' 1 6 DA H2'' 1.760 . 1.940 1.727 1.724 1.730 . 0 0 "[ . 1]" 1
93 1 6 DA H3' 1 6 DA H8 3.970 3.570 4.370 4.316 4.265 4.360 . 0 0 "[ . 1]" 1
94 1 6 DA H4' 1 6 DA H8 4.400 3.960 4.840 4.843 4.820 4.857 0.017 5 0 "[ . 1]" 1
95 1 7 DA H1' 1 7 DA H2'' 2.100 . 2.310 2.447 2.391 2.470 0.160 5 0 "[ . 1]" 1
96 1 7 DA H1' 1 7 DA H3' 3.680 3.310 4.050 3.705 3.669 3.722 . 0 0 "[ . 1]" 1
97 1 7 DA H1' 1 7 DA H4' 2.550 2.240 2.860 2.935 2.910 2.984 0.124 3 0 "[ . 1]" 1
98 1 7 DA H1' 1 7 DA H8 3.960 3.560 4.360 3.698 3.674 3.733 . 0 0 "[ . 1]" 1
99 1 7 DA H1' 1 8 DC H1' 4.320 3.800 4.840 4.812 4.658 4.880 0.040 5 0 "[ . 1]" 1
100 1 7 DA H1' 1 8 DC H5 4.480 4.030 4.930 3.999 3.955 4.061 0.075 7 0 "[ . 1]" 1
101 1 7 DA H1' 1 8 DC H6 3.110 2.800 3.420 2.881 2.782 3.039 0.018 8 0 "[ . 1]" 1
102 1 7 DA H2 1 8 DC H1' 3.740 3.370 4.110 4.118 4.037 4.154 0.044 5 0 "[ . 1]" 1
103 1 7 DA H2 2 4 DT H1' 4.950 4.420 5.480 5.441 5.255 5.498 0.018 6 0 "[ . 1]" 1
104 1 7 DA H2 2 5 DT H1' 3.850 3.460 4.240 4.211 4.046 4.289 0.049 6 0 "[ . 1]" 1
105 1 7 DA H2' 1 7 DA H2'' 1.770 . 1.950 1.737 1.720 1.754 . 0 0 "[ . 1]" 1
106 1 7 DA H2' 1 7 DA H3' 2.320 2.090 2.550 2.430 2.404 2.466 . 0 0 "[ . 1]" 1
107 1 7 DA H2' 1 7 DA H4' 3.410 3.070 3.750 3.589 3.558 3.612 . 0 0 "[ . 1]" 1
108 1 7 DA H2' 1 7 DA H8 2.280 2.050 2.510 2.116 2.071 2.134 . 0 0 "[ . 1]" 1
109 1 7 DA H2' 1 8 DC H5 2.890 2.600 3.180 3.228 3.183 3.256 0.076 7 0 "[ . 1]" 1
110 1 7 DA H2' 1 8 DC H6 3.570 3.210 3.930 3.614 3.525 3.699 . 0 0 "[ . 1]" 1
111 1 7 DA H2'' 1 8 DC H3' 6.370 5.730 7.010 5.735 5.684 5.895 0.046 2 0 "[ . 1]" 1
112 1 7 DA H2'' 1 8 DC H6 2.260 2.030 2.490 2.026 2.010 2.047 0.020 5 0 "[ . 1]" 1
113 1 7 DA H3' 1 7 DA H8 4.170 3.750 4.590 4.259 4.213 4.304 . 0 0 "[ . 1]" 1
114 1 7 DA H3' 1 8 DC H6 4.200 3.780 4.620 4.683 4.653 4.716 0.096 5 0 "[ . 1]" 1
115 1 7 DA H4' 1 7 DA H8 3.940 3.550 4.330 4.548 4.521 4.566 0.236 1 0 "[ . 1]" 1
116 1 7 DA H4' 1 8 DC H6 4.840 4.360 5.320 5.271 5.192 5.350 0.030 3 0 "[ . 1]" 1
117 1 7 DA H8 1 8 DC H5 3.710 3.340 4.080 3.447 3.325 3.586 0.015 3 0 "[ . 1]" 1
118 1 7 DA H8 1 8 DC H6 5.020 4.520 5.520 4.696 4.558 4.768 . 0 0 "[ . 1]" 1
119 1 8 DC H1' 1 8 DC H2' 3.100 2.790 3.410 3.111 3.103 3.118 . 0 0 "[ . 1]" 1
120 1 8 DC H1' 1 8 DC H2'' 2.290 2.060 2.520 2.564 2.526 2.591 0.071 2 0 "[ . 1]" 1
121 1 8 DC H1' 1 8 DC H3' 4.000 3.600 4.400 3.775 3.753 3.801 . 0 0 "[ . 1]" 1
122 1 8 DC H1' 1 8 DC H5 5.450 4.900 6.000 5.441 5.388 5.479 . 0 0 "[ . 1]" 1
123 1 8 DC H1' 1 8 DC H6 3.660 3.290 4.030 3.653 3.624 3.669 . 0 0 "[ . 1]" 1
124 1 8 DC H1' 1 9 DG H4' 5.010 4.510 5.510 5.505 5.395 5.555 0.045 6 0 "[ . 1]" 1
125 1 8 DC H1' 1 9 DG H8 4.070 3.540 4.600 4.065 3.821 4.501 . 0 0 "[ . 1]" 1
126 1 8 DC H2' 1 8 DC H3' 2.500 2.250 2.750 2.434 2.403 2.464 . 0 0 "[ . 1]" 1
127 1 8 DC H2' 1 8 DC H4' 3.880 3.490 4.270 3.599 3.562 3.654 . 0 0 "[ . 1]" 1
128 1 8 DC H2' 1 8 DC H5 4.910 4.420 5.400 4.660 4.515 4.843 . 0 0 "[ . 1]" 1
129 1 8 DC H2' 1 8 DC H6 2.670 2.400 2.940 2.476 2.396 2.622 0.004 10 0 "[ . 1]" 1
130 1 8 DC H2' 1 9 DG H8 3.240 2.920 3.560 3.610 3.596 3.628 0.068 6 0 "[ . 1]" 1
131 1 8 DC H2'' 1 8 DC H5 5.640 5.000 6.280 5.650 5.467 5.822 . 0 0 "[ . 1]" 1
132 1 8 DC H2'' 1 8 DC H6 3.320 2.710 3.930 3.762 3.673 3.877 . 0 0 "[ . 1]" 1
133 1 8 DC H2'' 1 9 DG H8 2.750 2.470 3.030 2.268 2.236 2.288 0.234 6 0 "[ . 1]" 1
134 1 8 DC H5 1 8 DC H6 2.500 2.250 2.750 2.524 2.491 2.551 . 0 0 "[ . 1]" 1
135 1 8 DC H6 1 9 DG H8 5.160 3.700 6.620 5.267 5.006 5.580 . 0 0 "[ . 1]" 1
136 1 9 DG H1' 1 9 DG H2' 3.000 2.700 3.300 3.082 3.069 3.093 . 0 0 "[ . 1]" 1
137 1 9 DG H1' 1 9 DG H2'' 2.310 2.080 2.540 2.555 2.541 2.572 0.032 7 0 "[ . 1]" 1
138 1 9 DG H1' 1 9 DG H3' 3.810 3.430 4.190 3.788 3.744 3.820 . 0 0 "[ . 1]" 1
139 1 9 DG H1' 1 9 DG H4' 3.090 2.780 3.400 3.225 3.170 3.303 . 0 0 "[ . 1]" 1
140 1 9 DG H2' 1 9 DG H8 2.030 . 2.230 2.204 2.177 2.233 0.003 2 0 "[ . 1]" 1
141 1 9 DG H2'' 1 9 DG H8 3.210 2.560 3.860 3.339 3.253 3.451 . 0 0 "[ . 1]" 1
142 1 9 DG H3' 1 9 DG H8 4.250 3.830 4.670 4.487 4.397 4.549 . 0 0 "[ . 1]" 1
143 1 9 DG H4' 1 9 DG H8 4.830 4.350 5.310 5.034 4.878 5.128 . 0 0 "[ . 1]" 1
144 2 1 DC H1' 2 1 DC H2' 3.100 2.790 3.410 2.970 2.946 3.026 . 0 0 "[ . 1]" 1
145 2 1 DC H1' 2 1 DC H2'' 2.400 2.160 2.640 2.314 2.276 2.344 . 0 0 "[ . 1]" 1
146 2 1 DC H1' 2 1 DC H3' 4.000 3.600 4.400 3.765 3.747 3.778 . 0 0 "[ . 1]" 1
147 2 1 DC H1' 2 1 DC H6 3.480 3.130 3.830 3.588 3.573 3.608 . 0 0 "[ . 1]" 1
148 2 1 DC H1' 2 2 DC H5 4.250 3.830 4.670 4.847 4.745 4.932 0.262 3 0 "[ . 1]" 1
149 2 1 DC H1' 2 2 DC H6 4.000 3.600 4.400 4.435 4.383 4.472 0.072 10 0 "[ . 1]" 1
150 2 1 DC H2' 2 1 DC H3' 2.490 2.240 2.740 2.071 2.020 2.202 0.220 7 0 "[ . 1]" 1
151 2 1 DC H2' 2 1 DC H6 2.470 2.220 2.720 2.349 2.310 2.398 . 0 0 "[ . 1]" 1
152 2 1 DC H2' 2 2 DC H5 3.280 2.950 3.610 2.733 2.706 2.758 0.244 6 0 "[ . 1]" 1
153 2 1 DC H2' 2 2 DC H6 2.690 2.420 2.960 2.772 2.498 3.040 0.080 1 0 "[ . 1]" 1
154 2 1 DC H2'' 2 1 DC H6 3.370 3.030 3.710 3.737 3.666 3.781 0.071 4 0 "[ . 1]" 1
155 2 1 DC H2'' 2 2 DC H6 2.720 2.450 2.990 2.318 2.247 2.360 0.203 1 0 "[ . 1]" 1
156 2 1 DC H3' 2 1 DC H6 3.700 3.330 4.070 3.702 3.420 4.085 0.015 1 0 "[ . 1]" 1
157 2 1 DC H3' 2 2 DC H5 3.960 3.560 4.360 4.567 4.540 4.593 0.233 10 0 "[ . 1]" 1
158 2 1 DC H3' 2 2 DC H6 3.990 3.590 4.390 4.075 3.958 4.200 . 0 0 "[ . 1]" 1
159 2 1 DC H4' 2 1 DC H6 4.500 4.050 4.950 4.471 4.264 4.551 . 0 0 "[ . 1]" 1
160 2 1 DC H5 2 1 DC H6 2.420 2.180 2.660 2.550 2.531 2.561 . 0 0 "[ . 1]" 1
161 2 1 DC H5 2 2 DC H6 5.910 5.320 6.500 6.152 5.735 6.467 . 0 0 "[ . 1]" 1
162 2 1 DC H6 2 2 DC H2' 5.900 5.310 6.490 6.584 6.548 6.624 0.134 5 0 "[ . 1]" 1
163 2 1 DC H6 2 2 DC H5 3.480 3.130 3.830 3.295 3.027 3.559 0.103 9 0 "[ . 1]" 1
164 2 1 DC H6 2 2 DC H6 4.370 3.930 4.810 4.639 4.432 4.831 0.021 1 0 "[ . 1]" 1
165 2 2 DC H1' 2 2 DC H2'' 2.400 2.160 2.640 2.403 2.311 2.653 0.013 3 0 "[ . 1]" 1
166 2 2 DC H1' 2 2 DC H3' 3.800 3.420 4.180 3.660 3.636 3.747 . 0 0 "[ . 1]" 1
167 2 2 DC H1' 2 2 DC H6 3.800 3.420 4.180 3.730 3.676 3.860 . 0 0 "[ . 1]" 1
168 2 2 DC H1' 2 3 DG H1' 4.670 4.200 5.140 4.930 4.734 5.194 0.054 3 0 "[ . 1]" 1
169 2 2 DC H1' 2 3 DG H2'' 6.430 5.790 7.070 6.276 6.129 6.633 . 0 0 "[ . 1]" 1
170 2 2 DC H1' 2 3 DG H3' 6.080 5.470 6.690 6.330 6.036 6.682 . 0 0 "[ . 1]" 1
171 2 2 DC H1' 2 3 DG H8 3.380 2.950 3.810 3.192 3.009 3.829 0.019 3 0 "[ . 1]" 1
172 2 2 DC H2' 2 2 DC H6 2.270 2.040 2.500 2.086 2.008 2.200 0.032 5 0 "[ . 1]" 1
173 2 2 DC H2' 2 3 DG H8 4.220 3.800 4.640 4.352 4.188 4.570 . 0 0 "[ . 1]" 1
174 2 2 DC H2'' 2 2 DC H3' 2.820 2.540 3.100 2.612 2.566 2.672 . 0 0 "[ . 1]" 1
175 2 2 DC H2'' 2 2 DC H6 3.590 3.170 4.010 3.316 3.106 3.556 0.064 10 0 "[ . 1]" 1
176 2 2 DC H3' 2 2 DC H6 3.690 3.260 4.120 4.219 4.201 4.238 0.118 10 0 "[ . 1]" 1
177 2 2 DC H3' 2 3 DG H8 4.300 3.870 4.730 4.630 4.445 4.759 0.029 2 0 "[ . 1]" 1
178 2 2 DC H4' 2 2 DC H6 4.430 3.990 4.870 4.719 4.405 4.977 0.107 1 0 "[ . 1]" 1
179 2 2 DC H5 2 2 DC H6 2.440 2.200 2.680 2.442 2.342 2.528 . 0 0 "[ . 1]" 1
180 2 2 DC H6 2 3 DG H8 6.350 5.710 6.990 5.579 5.504 5.667 0.206 10 0 "[ . 1]" 1
181 2 3 DG H1' 2 3 DG H2' 2.650 2.380 2.920 3.041 3.031 3.051 0.131 5 0 "[ . 1]" 1
182 2 3 DG H1' 2 3 DG H3' 3.570 3.210 3.930 3.766 3.737 3.798 . 0 0 "[ . 1]" 1
183 2 3 DG H1' 2 3 DG H4' 3.040 2.740 3.340 3.101 3.052 3.138 . 0 0 "[ . 1]" 1
184 2 3 DG H1' 2 3 DG H8 3.640 3.280 4.000 3.756 3.718 3.795 . 0 0 "[ . 1]" 1
185 2 3 DG H2' 2 3 DG H8 2.340 2.110 2.570 2.476 2.328 2.606 0.036 6 0 "[ . 1]" 1
186 2 3 DG H2'' 2 4 DT H3' 4.440 4.000 4.880 4.928 4.906 4.951 0.071 6 0 "[ . 1]" 1
187 2 3 DG H2'' 2 4 DT H6 2.530 2.280 2.780 2.452 2.338 2.606 . 0 0 "[ . 1]" 1
188 2 3 DG H3' 2 4 DT H6 4.880 4.390 5.370 5.145 5.009 5.305 . 0 0 "[ . 1]" 1
189 2 3 DG H4' 2 4 DT H6 5.580 5.020 6.140 6.131 6.064 6.160 0.020 8 0 "[ . 1]" 1
190 2 3 DG H8 2 4 DT H6 5.370 4.830 5.910 5.194 4.927 5.389 . 0 0 "[ . 1]" 1
191 2 4 DT H1' 2 4 DT H2' 3.100 2.790 3.410 3.015 3.004 3.026 . 0 0 "[ . 1]" 1
192 2 4 DT H1' 2 4 DT H2'' 2.070 . 2.280 2.361 2.339 2.371 0.091 1 0 "[ . 1]" 1
193 2 4 DT H1' 2 4 DT H3' 4.000 3.600 4.400 3.716 3.697 3.740 . 0 0 "[ . 1]" 1
194 2 4 DT H1' 2 5 DT H2' 3.920 3.530 4.310 4.328 4.303 4.353 0.043 8 0 "[ . 1]" 1
195 2 4 DT H1' 2 5 DT H6 3.440 2.930 3.950 2.964 2.921 3.021 0.009 4 0 "[ . 1]" 1
196 2 4 DT H2' 2 4 DT H2'' 1.780 . 1.960 1.741 1.739 1.743 . 0 0 "[ . 1]" 1
197 2 4 DT H2' 2 4 DT H4' 3.300 2.970 3.630 3.636 3.634 3.638 0.008 5 0 "[ . 1]" 1
198 2 4 DT H2' 2 4 DT H6 2.160 . 2.380 2.017 2.004 2.027 . 0 0 "[ . 1]" 1
199 2 4 DT H3' 2 4 DT H6 3.550 3.200 3.900 4.002 3.986 4.015 0.115 2 0 "[ . 1]" 1
200 2 4 DT H6 2 5 DT H6 4.660 4.190 5.130 4.655 4.613 4.763 . 0 0 "[ . 1]" 1
201 2 5 DT H2' 2 5 DT H2'' 1.770 . 1.950 1.745 1.742 1.748 . 0 0 "[ . 1]" 1
202 2 5 DT H3' 2 5 DT H6 4.430 3.990 4.870 4.473 4.404 4.511 . 0 0 "[ . 1]" 1
203 2 6 DT H1' 2 6 DT H2' 2.420 2.180 2.660 2.906 2.897 2.924 0.264 8 0 "[ . 1]" 1
204 2 6 DT H1' 2 6 DT H6 3.740 3.370 4.110 3.521 3.507 3.533 . 0 0 "[ . 1]" 1
205 2 6 DT H1' 2 7 DT H2' 4.600 4.140 5.060 4.960 4.930 4.992 . 0 0 "[ . 1]" 1
206 2 6 DT H1' 2 7 DT H6 2.940 2.650 3.230 3.319 3.293 3.337 0.107 5 0 "[ . 1]" 1
207 2 6 DT H4' 2 6 DT H6 3.320 2.990 3.650 3.970 3.940 3.992 0.342 4 0 "[ . 1]" 1
208 2 7 DT H1' 2 7 DT H3' 3.500 3.150 3.850 3.815 3.798 3.836 . 0 0 "[ . 1]" 1
209 2 7 DT H1' 2 7 DT H6 3.530 2.990 4.070 3.601 3.591 3.621 . 0 0 "[ . 1]" 1
210 2 7 DT H2' 2 7 DT H3' 2.480 2.230 2.730 2.146 2.142 2.154 0.088 10 0 "[ . 1]" 1
211 2 7 DT H2' 2 7 DT H6 2.060 . 2.270 2.282 2.248 2.298 0.028 2 0 "[ . 1]" 1
212 2 7 DT H2' 2 8 DG H8 3.070 2.760 3.380 3.160 3.025 3.378 . 0 0 "[ . 1]" 1
213 2 7 DT H3' 2 7 DT H6 3.080 2.770 3.390 3.532 3.518 3.546 0.156 9 0 "[ . 1]" 1
214 2 7 DT H3' 2 8 DG H8 4.750 4.280 5.220 4.794 4.727 4.985 . 0 0 "[ . 1]" 1
215 2 7 DT H6 2 8 DG H8 4.890 4.400 5.380 4.797 4.627 4.871 . 0 0 "[ . 1]" 1
216 2 8 DG H1' 2 9 DC H5 3.420 3.080 3.760 3.786 3.764 3.810 0.050 1 0 "[ . 1]" 1
217 2 8 DG H1' 2 9 DC H6 2.820 2.540 3.100 2.925 2.750 3.034 . 0 0 "[ . 1]" 1
218 2 8 DG H2'' 2 9 DC H6 2.280 2.050 2.510 2.217 2.073 2.381 . 0 0 "[ . 1]" 1
219 2 8 DG H3' 2 8 DG H8 3.960 3.540 4.380 4.472 4.459 4.501 0.121 1 0 "[ . 1]" 1
220 2 8 DG H3' 2 9 DC H5 5.440 4.900 5.980 5.183 5.059 5.411 . 0 0 "[ . 1]" 1
221 2 8 DG H3' 2 9 DC H6 5.280 4.580 5.980 4.627 4.561 4.725 0.019 1 0 "[ . 1]" 1
222 2 8 DG H4' 2 8 DG H8 4.880 4.390 5.370 4.760 4.719 4.812 . 0 0 "[ . 1]" 1
223 2 8 DG H4' 2 9 DC H5 5.920 5.330 6.510 6.280 6.210 6.368 . 0 0 "[ . 1]" 1
224 2 8 DG H4' 2 9 DC H6 4.920 4.430 5.410 5.525 5.447 5.585 0.175 6 0 "[ . 1]" 1
225 2 8 DG H8 2 9 DC H5 3.550 3.100 4.000 3.661 3.414 3.863 . 0 0 "[ . 1]" 1
226 2 8 DG H8 2 9 DC H6 5.230 4.710 5.750 5.053 4.805 5.307 . 0 0 "[ . 1]" 1
227 2 9 DC H1' 2 9 DC H2' 2.580 2.320 2.840 2.941 2.888 3.007 0.167 2 0 "[ . 1]" 1
228 2 9 DC H1' 2 9 DC H3' 3.750 3.370 4.130 3.766 3.695 3.848 . 0 0 "[ . 1]" 1
229 2 9 DC H1' 2 9 DC H5 5.410 4.870 5.950 5.419 5.335 5.474 . 0 0 "[ . 1]" 1
230 2 9 DC H1' 2 9 DC H6 3.390 3.050 3.730 3.690 3.638 3.739 0.009 4 0 "[ . 1]" 1
231 2 9 DC H1' 2 10 DC H3' 5.970 5.370 6.570 5.390 5.277 5.512 0.093 3 0 "[ . 1]" 1
232 2 9 DC H1' 2 10 DC H5 4.590 4.130 5.050 4.815 4.621 4.978 . 0 0 "[ . 1]" 1
233 2 9 DC H1' 2 10 DC H6 3.500 3.150 3.850 3.891 3.657 4.039 0.189 2 0 "[ . 1]" 1
234 2 9 DC H2' 2 9 DC H5 3.930 3.250 4.610 4.413 4.323 4.469 . 0 0 "[ . 1]" 1
235 2 9 DC H2' 2 9 DC H6 2.140 . 2.350 2.327 2.220 2.392 0.042 2 0 "[ . 1]" 1
236 2 9 DC H2' 2 10 DC H6 2.690 2.420 2.960 3.067 3.008 3.106 0.146 6 0 "[ . 1]" 1
237 2 9 DC H2'' 2 9 DC H3' 2.800 2.520 3.080 2.719 2.543 2.870 . 0 0 "[ . 1]" 1
238 2 9 DC H2'' 2 9 DC H5 5.040 4.540 5.540 5.602 5.544 5.661 0.121 2 0 "[ . 1]" 1
239 2 9 DC H2'' 2 10 DC H3' 4.160 3.740 4.580 3.691 3.673 3.723 0.067 3 0 "[ . 1]" 1
240 2 9 DC H2'' 2 10 DC H6 2.850 2.570 3.130 2.297 2.265 2.389 0.305 7 0 "[ . 1]" 1
241 2 9 DC H3' 2 9 DC H5 6.170 4.200 8.140 6.371 6.133 6.607 . 0 0 "[ . 1]" 1
242 2 9 DC H3' 2 9 DC H6 3.540 2.450 4.630 3.971 3.750 4.188 . 0 0 "[ . 1]" 1
243 2 9 DC H3' 2 10 DC H6 4.420 3.710 5.130 4.648 4.245 4.944 . 0 0 "[ . 1]" 1
244 2 9 DC H4' 2 9 DC H6 4.310 3.880 4.740 4.449 4.399 4.527 . 0 0 "[ . 1]" 1
245 2 9 DC H5 2 9 DC H6 2.450 2.210 2.690 2.477 2.416 2.536 . 0 0 "[ . 1]" 1
246 2 9 DC H5 2 10 DC H5 4.030 3.630 4.430 4.161 3.881 4.442 0.012 2 0 "[ . 1]" 1
247 2 9 DC H5 2 10 DC H6 5.940 5.350 6.530 5.766 5.459 5.966 . 0 0 "[ . 1]" 1
248 2 9 DC H6 2 10 DC H5 3.690 3.320 4.060 3.889 3.598 4.063 0.003 5 0 "[ . 1]" 1
249 2 9 DC H6 2 10 DC H6 4.510 4.060 4.960 4.723 4.540 4.874 . 0 0 "[ . 1]" 1
250 2 10 DC H1' 2 10 DC H3' 3.980 3.580 4.380 3.738 3.635 3.789 . 0 0 "[ . 1]" 1
251 2 10 DC H1' 2 10 DC H4' 3.060 2.750 3.370 2.718 2.708 2.732 0.042 4 0 "[ . 1]" 1
252 2 10 DC H1' 2 10 DC H5 5.300 4.770 5.830 5.349 5.322 5.367 . 0 0 "[ . 1]" 1
253 2 10 DC H1' 2 10 DC H6 3.450 3.110 3.790 3.722 3.678 3.762 . 0 0 "[ . 1]" 1
254 2 10 DC H2' 2 10 DC H3' 2.460 2.210 2.710 2.071 2.056 2.089 0.154 3 0 "[ . 1]" 1
255 2 10 DC H3' 2 10 DC H5 4.120 3.710 4.530 4.801 4.756 4.843 0.313 3 0 "[ . 1]" 1
256 2 10 DC H3' 2 10 DC H6 2.630 2.370 2.890 2.754 2.651 2.894 0.004 3 0 "[ . 1]" 1
257 2 10 DC H4' 2 10 DC H6 4.410 3.970 4.850 4.333 4.268 4.433 . 0 0 "[ . 1]" 1
258 2 10 DC H5 2 10 DC H6 2.500 2.250 2.750 2.225 2.198 2.277 0.052 7 0 "[ . 1]" 1
259 1 9 DG H1' 1 10 DG H4' 3.600 . 5.600 4.800 4.646 5.183 . 0 0 "[ . 1]" 1
260 1 4 DA H3' 1 4 DA H8 3.600 . 5.600 4.507 4.426 4.598 . 0 0 "[ . 1]" 1
261 1 4 DA H1' 1 4 DA H5' 3.600 . 5.600 4.536 4.457 4.570 . 0 0 "[ . 1]" 1
262 1 4 DA H1' 1 4 DA H5'' 3.600 . 5.600 4.886 4.842 4.906 . 0 0 "[ . 1]" 1
263 1 4 DA H8 1 5 DA H8 3.600 . 5.600 4.590 4.387 5.141 . 0 0 "[ . 1]" 1
264 1 5 DA H2 1 6 DA H2 3.600 . 5.600 4.297 3.837 4.563 . 0 0 "[ . 1]" 1
265 1 4 DA H1' 1 5 DA H4' 3.600 . 5.600 5.120 4.929 5.399 . 0 0 "[ . 1]" 1
266 1 5 DA H8 1 6 DA H8 3.600 . 5.600 5.210 5.089 5.593 . 0 0 "[ . 1]" 1
267 1 6 DA H3' 1 7 DA H8 3.600 . 5.600 4.521 4.440 4.627 . 0 0 "[ . 1]" 1
268 1 8 DC H4' 1 8 DC H6 3.600 . 5.600 4.513 4.463 4.556 . 0 0 "[ . 1]" 1
269 2 3 DG H4' 2 3 DG H8 3.600 . 5.600 4.652 4.581 4.722 . 0 0 "[ . 1]" 1
270 2 4 DT H3' 2 5 DT H6 3.600 . 5.600 4.664 4.601 4.698 . 0 0 "[ . 1]" 1
271 2 5 DT H3' 2 6 DT H6 3.600 . 5.600 5.487 5.358 5.602 0.002 3 0 "[ . 1]" 1
272 2 6 DT H3' 2 7 DT H6 3.600 . 5.600 5.049 4.957 5.195 . 0 0 "[ . 1]" 1
273 2 6 DT H6 2 7 DT H6 3.600 . 5.600 5.099 4.953 5.261 . 0 0 "[ . 1]" 1
274 2 9 DC H1' 2 10 DC H1' 3.600 . 5.600 5.265 4.945 5.541 . 0 0 "[ . 1]" 1
275 1 1 DG H2' 1 1 DG H5' 3.600 . 5.600 2.739 2.296 4.045 . 0 0 "[ . 1]" 1
276 1 1 DG H2'' 1 1 DG H5' 3.600 . 5.600 4.256 3.920 5.245 . 0 0 "[ . 1]" 1
277 1 1 DG H5' 1 1 DG H8 3.600 . 5.600 3.189 2.651 4.295 . 0 0 "[ . 1]" 1
278 1 10 DG H5' 1 10 DG H8 3.600 . 5.600 3.881 3.631 4.545 . 0 0 "[ . 1]" 1
279 1 10 DG H5'' 1 10 DG H8 3.600 . 5.600 4.636 4.441 5.114 . 0 0 "[ . 1]" 1
280 1 2 DG H1' 1 2 DG H2' 3.600 . 5.600 3.055 3.040 3.086 . 0 0 "[ . 1]" 1
281 1 2 DG H2' 1 3 DC H6 3.600 . 5.600 4.144 3.955 4.270 . 0 0 "[ . 1]" 1
282 1 2 DG H1' 1 2 DG H2'' 3.600 . 5.600 2.509 2.478 2.561 . 0 0 "[ . 1]" 1
283 1 2 DG H2'' 1 3 DC H6 3.600 . 5.600 2.544 2.342 2.694 . 0 0 "[ . 1]" 1
284 1 2 DG H1' 1 2 DG H3' 3.600 . 5.600 3.779 3.738 3.812 . 0 0 "[ . 1]" 1
285 1 2 DG H1' 1 2 DG H4' 3.600 . 5.600 3.340 3.307 3.382 . 0 0 "[ . 1]" 1
286 1 2 DG H5' 1 2 DG H8 3.600 . 5.600 4.221 4.000 4.513 . 0 0 "[ . 1]" 1
287 1 2 DG H5'' 1 2 DG H8 3.600 . 5.600 5.010 4.890 5.090 . 0 0 "[ . 1]" 1
288 1 3 DC H2'' 1 3 DC H6 3.600 . 5.600 3.421 3.269 3.466 . 0 0 "[ . 1]" 1
289 1 3 DC H1' 1 3 DC H4' 3.600 . 5.600 3.049 2.888 3.449 . 0 0 "[ . 1]" 1
290 1 3 DC H4' 1 3 DC H6 3.600 . 5.600 4.413 4.357 4.544 . 0 0 "[ . 1]" 1
291 1 4 DA H1' 1 4 DA H2 3.600 . 5.600 4.787 4.618 4.866 . 0 0 "[ . 1]" 1
292 1 4 DA H1' 1 4 DA H2'' 3.600 . 5.600 2.357 2.309 2.616 . 0 0 "[ . 1]" 1
293 1 4 DA H2'' 1 5 DA H8 3.600 . 5.600 2.248 2.171 2.294 . 0 0 "[ . 1]" 1
294 1 4 DA H5' 1 4 DA H8 3.600 . 5.600 4.449 4.185 4.520 . 0 0 "[ . 1]" 1
295 1 3 DC H1' 1 4 DA H5'' 3.600 . 5.600 4.385 4.285 4.487 . 0 0 "[ . 1]" 1
296 1 4 DA H5'' 1 4 DA H8 3.600 . 5.600 5.250 4.994 5.339 . 0 0 "[ . 1]" 1
297 1 4 DA H2 1 5 DA H1' 3.600 . 5.600 5.013 4.222 5.198 . 0 0 "[ . 1]" 1
298 1 5 DA H2' 1 6 DA H8 3.600 . 5.600 4.425 4.346 4.477 . 0 0 "[ . 1]" 1
299 1 5 DA H2'' 1 5 DA H8 3.600 . 5.600 3.270 3.215 3.466 . 0 0 "[ . 1]" 1
300 1 5 DA H3' 1 5 DA H8 3.600 . 5.600 4.559 4.493 4.623 . 0 0 "[ . 1]" 1
301 1 5 DA H5' 1 5 DA H8 3.600 . 5.600 4.451 4.286 4.554 . 0 0 "[ . 1]" 1
302 1 5 DA H2 1 6 DA H1' 3.600 . 5.600 4.745 4.433 4.910 . 0 0 "[ . 1]" 1
303 1 6 DA H1' 1 6 DA H2 3.600 . 5.600 4.512 4.469 4.546 . 0 0 "[ . 1]" 1
304 1 6 DA H1' 1 7 DA H2 3.600 . 5.600 5.791 5.765 5.811 0.211 2 0 "[ . 1]" 1
305 1 6 DA H1' 1 6 DA H2' 3.600 . 5.600 3.019 3.009 3.028 . 0 0 "[ . 1]" 1
306 1 6 DA H2' 1 6 DA H8 3.600 . 5.600 2.231 2.190 2.270 . 0 0 "[ . 1]" 1
307 1 6 DA H2' 1 7 DA H8 3.600 . 5.600 4.242 4.192 4.291 . 0 0 "[ . 1]" 1
308 1 6 DA H1' 1 6 DA H3' 3.600 . 5.600 3.877 3.860 3.897 . 0 0 "[ . 1]" 1
309 1 6 DA H1' 1 6 DA H4' 3.600 . 5.600 3.546 3.505 3.578 . 0 0 "[ . 1]" 1
310 1 7 DA H1' 1 7 DA H2' 3.600 . 5.600 3.048 3.002 3.059 . 0 0 "[ . 1]" 1
311 1 7 DA H2'' 1 7 DA H8 3.600 . 5.600 3.406 3.355 3.468 . 0 0 "[ . 1]" 1
312 1 8 DC H3' 1 8 DC H6 3.600 . 5.600 4.467 4.416 4.602 . 0 0 "[ . 1]" 1
313 1 8 DC H3' 1 9 DG H8 3.600 . 5.600 4.700 4.352 4.896 . 0 0 "[ . 1]" 1
314 1 8 DC H4' 1 9 DG H8 3.600 . 5.600 5.800 5.776 5.829 0.229 7 0 "[ . 1]" 1
315 1 8 DC H5' 1 8 DC H6 3.600 . 5.600 3.936 3.851 4.057 . 0 0 "[ . 1]" 1
316 1 8 DC H5'' 1 8 DC H6 3.600 . 5.600 4.698 4.490 4.851 . 0 0 "[ . 1]" 1
317 1 9 DG H1' 1 10 DG H8 3.600 . 5.600 2.728 2.592 3.082 . 0 0 "[ . 1]" 1
318 1 9 DG H1' 1 9 DG H8 3.600 . 5.600 3.866 3.846 3.881 . 0 0 "[ . 1]" 1
319 2 1 DC H2' 2 1 DC H5 3.600 . 5.600 4.622 4.502 4.706 . 0 0 "[ . 1]" 1
320 2 1 DC H5' 2 1 DC H6 3.600 . 5.600 3.550 2.363 4.404 . 0 0 "[ . 1]" 1
321 2 1 DC H5'' 2 1 DC H6 3.600 . 5.600 4.414 3.356 5.093 . 0 0 "[ . 1]" 1
322 2 2 DC H2' 2 2 DC H5 3.600 . 5.600 4.430 4.317 4.550 . 0 0 "[ . 1]" 1
323 2 2 DC H4' 2 3 DG H8 3.600 . 5.600 5.660 5.621 5.696 0.096 4 0 "[ . 1]" 1
324 2 1 DC H5 2 2 DC H5 3.600 . 5.600 4.113 3.439 4.663 . 0 0 "[ . 1]" 1
325 2 2 DC H5' 2 2 DC H6 3.600 . 5.600 4.139 3.724 4.499 . 0 0 "[ . 1]" 1
326 2 2 DC H5'' 2 2 DC H6 3.600 . 5.600 4.803 4.578 5.077 . 0 0 "[ . 1]" 1
327 2 3 DG H1' 2 4 DT H6 3.600 . 5.600 3.700 3.562 3.824 . 0 0 "[ . 1]" 1
328 2 3 DG H2' 2 4 DT H6 3.600 . 5.600 3.910 3.806 4.028 . 0 0 "[ . 1]" 1
329 2 3 DG H1' 2 3 DG H2'' 3.600 . 5.600 2.576 2.537 2.601 . 0 0 "[ . 1]" 1
330 2 4 DT H1' 2 4 DT H6 3.600 . 5.600 3.697 3.689 3.707 . 0 0 "[ . 1]" 1
331 2 4 DT H4' 2 4 DT H6 3.600 . 5.600 4.646 4.629 4.685 . 0 0 "[ . 1]" 1
332 2 4 DT H4' 2 5 DT H6 3.600 . 5.600 5.694 5.687 5.702 0.102 8 0 "[ . 1]" 1
333 2 4 DT H5' 2 4 DT H6 3.600 . 5.600 3.860 3.807 3.922 . 0 0 "[ . 1]" 1
334 2 5 DT H1' 2 5 DT H6 3.600 . 5.600 3.751 3.744 3.762 . 0 0 "[ . 1]" 1
335 2 5 DT H1' 2 6 DT H6 3.600 . 5.600 3.448 3.377 3.543 . 0 0 "[ . 1]" 1
336 2 5 DT H2' 2 5 DT H6 3.600 . 5.600 2.276 2.215 2.316 . 0 0 "[ . 1]" 1
337 2 5 DT H1' 2 5 DT H3' 3.600 . 5.600 3.706 3.676 3.754 . 0 0 "[ . 1]" 1
338 2 6 DT H2' 2 6 DT H6 3.600 . 5.600 2.124 2.085 2.170 . 0 0 "[ . 1]" 1
339 2 6 DT H2'' 2 7 DT H6 3.600 . 5.600 2.297 2.207 2.468 . 0 0 "[ . 1]" 1
340 2 6 DT H1' 2 6 DT H3' 3.600 . 5.600 3.732 3.706 3.782 . 0 0 "[ . 1]" 1
341 2 6 DT H3' 2 6 DT H6 3.600 . 5.600 4.004 3.959 4.045 . 0 0 "[ . 1]" 1
342 1 5 DA H2 2 7 DT H1' 3.600 . 5.600 3.577 3.380 3.751 . 0 0 "[ . 1]" 1
343 2 7 DT H1' 2 8 DG H8 3.600 . 5.600 3.989 3.782 4.082 . 0 0 "[ . 1]" 1
344 2 7 DT H1' 2 7 DT H2' 3.600 . 5.600 3.093 3.085 3.102 . 0 0 "[ . 1]" 1
345 2 7 DT H2'' 2 8 DG H8 3.600 . 5.600 2.097 2.070 2.177 . 0 0 "[ . 1]" 1
346 2 7 DT H4' 2 7 DT H6 3.600 . 5.600 4.418 4.400 4.440 . 0 0 "[ . 1]" 1
347 2 7 DT H4' 2 8 DG H8 3.600 . 5.600 5.682 5.639 5.712 0.112 2 0 "[ . 1]" 1
348 2 8 DG H1' 2 8 DG H8 3.600 . 5.600 3.800 3.781 3.814 . 0 0 "[ . 1]" 1
349 2 8 DG H1' 2 8 DG H2' 3.600 . 5.600 3.058 3.051 3.069 . 0 0 "[ . 1]" 1
350 2 8 DG H2' 2 8 DG H8 3.600 . 5.600 2.338 2.299 2.373 . 0 0 "[ . 1]" 1
351 2 8 DG H2' 2 9 DC H5 3.600 . 5.600 3.334 3.201 3.463 . 0 0 "[ . 1]" 1
352 2 8 DG H1' 2 8 DG H3' 3.600 . 5.600 3.724 3.705 3.737 . 0 0 "[ . 1]" 1
353 2 8 DG H1' 2 8 DG H4' 3.600 . 5.600 3.173 3.128 3.197 . 0 0 "[ . 1]" 1
354 2 9 DC H2' 2 9 DC H3' 3.600 . 5.600 2.323 2.195 2.390 . 0 0 "[ . 1]" 1
355 2 9 DC H2' 2 10 DC H5 3.600 . 5.600 3.199 2.929 3.371 . 0 0 "[ . 1]" 1
356 2 9 DC H1' 2 9 DC H2'' 3.600 . 5.600 2.202 2.019 2.423 . 0 0 "[ . 1]" 1
357 2 9 DC H4' 2 10 DC H6 3.600 . 5.600 5.802 5.712 5.920 0.320 4 0 "[ . 1]" 1
358 2 9 DC H5' 2 9 DC H6 3.600 . 5.600 3.915 3.585 4.290 . 0 0 "[ . 1]" 1
359 2 9 DC H5'' 2 9 DC H6 3.600 . 5.600 4.677 4.383 5.043 . 0 0 "[ . 1]" 1
360 2 10 DC H1' 2 10 DC H2' 3.600 . 5.600 3.062 3.004 3.087 . 0 0 "[ . 1]" 1
361 2 10 DC H2' 2 10 DC H5 3.600 . 5.600 3.794 3.660 3.886 . 0 0 "[ . 1]" 1
362 2 10 DC H2' 2 10 DC H6 3.600 . 5.600 2.278 2.118 2.348 . 0 0 "[ . 1]" 1
363 2 10 DC H2'' 2 10 DC H4' 3.600 . 5.600 3.541 3.493 3.605 . 0 0 "[ . 1]" 1
364 2 10 DC H5' 2 10 DC H6 3.600 . 5.600 4.274 4.188 4.565 . 0 0 "[ . 1]" 1
365 2 10 DC H5'' 2 10 DC H6 3.600 . 5.600 4.900 4.805 5.007 . 0 0 "[ . 1]" 1
366 1 2 DG H1 2 8 DG H1 3.600 . 5.600 3.088 2.926 3.467 . 0 0 "[ . 1]" 1
367 1 2 DG H1 2 9 DC H42 3.600 . 5.600 4.010 3.520 4.344 . 0 0 "[ . 1]" 1
368 1 2 DG H1 2 9 DC H5 3.600 . 5.600 5.073 4.817 5.250 . 0 0 "[ . 1]" 1
369 1 3 DC H41 1 3 DC H42 3.600 . 5.600 1.804 1.797 1.808 . 0 0 "[ . 1]" 1
370 1 3 DC H42 2 8 DG H1 3.600 . 5.600 4.359 4.146 4.483 . 0 0 "[ . 1]" 1
371 1 3 DC H41 2 8 DG H1 3.600 . 5.600 2.719 2.485 2.873 . 0 0 "[ . 1]" 1
372 1 3 DC H5 2 8 DG H1 3.600 . 5.600 5.302 5.206 5.345 . 0 0 "[ . 1]" 1
373 1 4 DA H2 2 6 DT H3 3.600 . 5.600 4.893 4.645 5.080 . 0 0 "[ . 1]" 1
374 1 4 DA H2 2 7 DT H3 3.600 . 5.600 2.889 2.621 3.020 . 0 0 "[ . 1]" 1
375 1 4 DA H2 2 8 DG H1 3.600 . 5.600 3.962 3.533 4.742 . 0 0 "[ . 1]" 1
376 1 5 DA H2 2 6 DT H3 3.600 . 5.600 2.692 2.499 2.782 . 0 0 "[ . 1]" 1
377 1 5 DA H2 2 7 DT H3 3.600 . 5.600 3.597 3.175 3.982 . 0 0 "[ . 1]" 1
378 1 6 DA H2 2 4 DT H3 3.600 . 5.600 4.390 4.169 4.663 . 0 0 "[ . 1]" 1
379 1 6 DA H2 2 5 DT H3 3.600 . 5.600 2.383 2.209 2.656 . 0 0 "[ . 1]" 1
380 1 7 DA H2 2 3 DG H1 3.600 . 5.600 4.483 4.091 4.867 . 0 0 "[ . 1]" 1
381 1 7 DA H2 2 4 DT H3 3.600 . 5.600 2.379 2.293 2.511 . 0 0 "[ . 1]" 1
382 1 7 DA H2 2 5 DT H3 3.600 . 5.600 3.213 2.965 3.442 . 0 0 "[ . 1]" 1
383 1 8 DC H41 1 8 DC H42 3.600 . 5.600 1.804 1.788 1.813 . 0 0 "[ . 1]" 1
384 1 8 DC H42 1 9 DG H1 3.600 . 5.600 5.481 5.183 5.616 0.016 4 0 "[ . 1]" 1
385 1 8 DC H42 2 3 DG H1 3.600 . 5.600 4.177 3.621 4.556 . 0 0 "[ . 1]" 1
386 1 8 DC H41 1 9 DG H1 3.600 . 5.600 4.117 3.895 4.280 . 0 0 "[ . 1]" 1
387 1 8 DC H41 2 3 DG H1 3.600 . 5.600 2.499 1.919 2.915 . 0 0 "[ . 1]" 1
388 1 9 DG H1 2 2 DC H42 3.600 . 5.600 4.152 2.951 4.580 . 0 0 "[ . 1]" 1
389 1 9 DG H1 2 2 DC H41 3.600 . 5.600 2.559 1.795 3.028 . 0 0 "[ . 1]" 1
390 1 9 DG H1 2 2 DC H5 3.600 . 5.600 5.153 4.539 5.346 . 0 0 "[ . 1]" 1
391 1 9 DG H1 2 3 DG H1 3.600 . 5.600 3.789 3.526 4.029 . 0 0 "[ . 1]" 1
392 2 2 DC H41 2 2 DC H42 3.600 . 5.600 1.797 1.770 1.804 . 0 0 "[ . 1]" 1
393 2 2 DC H41 2 3 DG H1 3.600 . 5.600 4.684 4.011 5.125 . 0 0 "[ . 1]" 1
394 2 3 DG H1 2 4 DT H3 3.600 . 5.600 3.492 3.384 3.621 . 0 0 "[ . 1]" 1
395 2 4 DT H3 2 5 DT H3 3.600 . 5.600 3.203 3.139 3.248 . 0 0 "[ . 1]" 1
396 2 5 DT H3 2 6 DT H3 3.600 . 5.600 4.148 3.849 4.372 . 0 0 "[ . 1]" 1
397 2 6 DT H3 2 7 DT H3 3.600 . 5.600 3.086 2.942 3.260 . 0 0 "[ . 1]" 1
398 2 7 DT H3 2 8 DG H1 3.600 . 5.600 4.352 4.106 4.721 . 0 0 "[ . 1]" 1
399 2 9 DC H41 2 9 DC H42 3.600 . 5.600 1.791 1.783 1.798 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 156
_Distance_constraint_stats_list.Viol_total 75.180
_Distance_constraint_stats_list.Viol_max 0.500
_Distance_constraint_stats_list.Viol_rms 0.0339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.0482
_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 0.731 0.095 10 0 "[ . 1]"
1 2 DG 0.856 0.074 6 0 "[ . 1]"
1 3 DC 0.994 0.094 4 0 "[ . 1]"
1 4 DA 0.323 0.040 1 0 "[ . 1]"
1 5 DA 0.537 0.060 8 0 "[ . 1]"
1 6 DA 0.199 0.042 3 0 "[ . 1]"
1 7 DA 0.728 0.089 1 0 "[ . 1]"
1 8 DC 1.110 0.100 1 0 "[ . 1]"
1 9 DG 0.994 0.500 10 1 "[ . +]"
1 10 DG 1.047 0.146 2 0 "[ . 1]"
2 1 DC 1.047 0.146 2 0 "[ . 1]"
2 2 DC 0.994 0.500 10 1 "[ . +]"
2 3 DG 1.110 0.100 1 0 "[ . 1]"
2 4 DT 0.728 0.089 1 0 "[ . 1]"
2 5 DT 0.199 0.042 3 0 "[ . 1]"
2 6 DT 0.537 0.060 8 0 "[ . 1]"
2 7 DT 0.323 0.040 1 0 "[ . 1]"
2 8 DG 0.994 0.094 4 0 "[ . 1]"
2 9 DC 0.856 0.074 6 0 "[ . 1]"
2 10 DC 0.731 0.095 10 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 2 10 DC N3 1.850 . 1.950 2.016 2.004 2.045 0.095 10 0 "[ . 1]" 2
2 1 1 DG N1 2 10 DC N3 2.910 2.710 3.410 2.998 2.976 3.024 . 0 0 "[ . 1]" 2
3 1 1 DG H21 2 10 DC O2 1.980 . 2.480 2.054 1.925 2.169 . 0 0 "[ . 1]" 2
4 1 1 DG N2 2 10 DC O2 2.900 2.650 3.150 2.733 2.629 3.049 0.021 4 0 "[ . 1]" 2
5 1 1 DG O6 2 10 DC H41 1.670 . 2.170 2.102 1.885 2.186 0.016 3 0 "[ . 1]" 2
6 1 1 DG O6 2 10 DC N4 2.900 2.650 3.150 3.004 2.847 3.151 0.001 4 0 "[ . 1]" 2
7 1 2 DG H1 2 9 DC N3 1.850 . 1.950 2.011 1.990 2.024 0.074 6 0 "[ . 1]" 2
8 1 2 DG N1 2 9 DC N3 2.910 2.710 3.210 2.983 2.963 3.006 . 0 0 "[ . 1]" 2
9 1 2 DG H21 2 9 DC O2 1.980 . 2.280 1.985 1.873 2.143 . 0 0 "[ . 1]" 2
10 1 2 DG N2 2 9 DC O2 2.900 2.650 3.150 2.827 2.635 2.966 0.015 8 0 "[ . 1]" 2
11 1 2 DG O6 2 9 DC H41 1.670 . 1.970 1.968 1.884 2.036 0.066 2 0 "[ . 1]" 2
12 1 2 DG O6 2 9 DC N4 2.900 2.650 3.150 2.880 2.818 2.959 . 0 0 "[ . 1]" 2
13 1 3 DC N3 2 8 DG H1 1.850 . 1.950 2.028 2.018 2.044 0.094 4 0 "[ . 1]" 2
14 1 3 DC N3 2 8 DG N1 2.910 2.710 3.210 2.972 2.957 2.993 . 0 0 "[ . 1]" 2
15 1 3 DC O2 2 8 DG H21 1.980 . 2.280 1.825 1.799 1.869 . 0 0 "[ . 1]" 2
16 1 3 DC O2 2 8 DG N2 2.900 2.650 3.150 2.807 2.775 2.841 . 0 0 "[ . 1]" 2
17 1 3 DC H41 2 8 DG O6 1.670 . 1.970 1.991 1.978 2.015 0.045 1 0 "[ . 1]" 2
18 1 3 DC N4 2 8 DG O6 2.900 2.650 3.150 2.958 2.925 3.002 . 0 0 "[ . 1]" 2
19 1 4 DA N1 2 7 DT H3 1.850 . 1.950 1.941 1.924 1.958 0.008 5 0 "[ . 1]" 2
20 1 4 DA N1 2 7 DT N3 2.950 2.750 3.250 2.923 2.900 2.941 . 0 0 "[ . 1]" 2
21 1 4 DA N6 2 7 DT O4 2.900 2.650 3.150 3.055 3.025 3.090 . 0 0 "[ . 1]" 2
22 1 4 DA H61 2 7 DT O4 1.780 . 2.080 2.111 2.102 2.120 0.040 1 0 "[ . 1]" 2
23 1 5 DA N1 2 6 DT H3 1.850 . 1.950 1.991 1.974 2.010 0.060 8 0 "[ . 1]" 2
24 1 5 DA N1 2 6 DT N3 2.950 2.750 3.250 2.941 2.905 2.972 . 0 0 "[ . 1]" 2
25 1 5 DA N6 2 6 DT O4 2.900 2.650 3.150 3.059 3.012 3.110 . 0 0 "[ . 1]" 2
26 1 5 DA H61 2 6 DT O4 1.780 . 2.080 2.088 2.050 2.118 0.038 10 0 "[ . 1]" 2
27 1 6 DA N1 2 5 DT H3 1.850 . 1.950 1.968 1.952 1.992 0.042 3 0 "[ . 1]" 2
28 1 6 DA N1 2 5 DT N3 2.950 2.750 3.250 2.952 2.934 2.967 . 0 0 "[ . 1]" 2
29 1 6 DA N6 2 5 DT O4 2.900 2.650 3.150 3.014 2.949 3.078 . 0 0 "[ . 1]" 2
30 1 6 DA H61 2 5 DT O4 1.780 . 2.080 2.027 1.962 2.098 0.018 10 0 "[ . 1]" 2
31 1 7 DA N1 2 4 DT H3 1.850 . 1.950 2.021 1.989 2.039 0.089 1 0 "[ . 1]" 2
32 1 7 DA N1 2 4 DT N3 2.950 2.750 3.250 2.997 2.970 3.012 . 0 0 "[ . 1]" 2
33 1 7 DA N6 2 4 DT O4 2.900 2.650 3.150 3.013 2.933 3.097 . 0 0 "[ . 1]" 2
34 1 7 DA H61 2 4 DT O4 1.780 . 2.080 2.013 1.943 2.093 0.013 7 0 "[ . 1]" 2
35 1 8 DC N3 2 3 DG H1 1.850 . 1.950 2.007 1.975 2.050 0.100 1 0 "[ . 1]" 2
36 1 8 DC N3 2 3 DG N1 2.910 2.710 3.210 2.963 2.916 2.982 . 0 0 "[ . 1]" 2
37 1 8 DC O2 2 3 DG H21 1.980 . 2.280 1.894 1.793 2.073 . 0 0 "[ . 1]" 2
38 1 8 DC O2 2 3 DG N2 2.900 2.650 3.150 2.771 2.599 2.881 0.051 5 0 "[ . 1]" 2
39 1 8 DC H41 2 3 DG O6 1.670 . 1.970 2.015 1.993 2.057 0.087 5 0 "[ . 1]" 2
40 1 8 DC N4 2 3 DG O6 2.900 2.650 3.150 2.939 2.891 2.964 . 0 0 "[ . 1]" 2
41 1 9 DG H1 2 2 DC N3 1.850 . 1.950 1.997 1.964 2.036 0.086 1 0 "[ . 1]" 2
42 1 9 DG N1 2 2 DC N3 2.910 2.710 3.210 2.945 2.926 2.982 . 0 0 "[ . 1]" 2
43 1 9 DG H21 2 2 DC O2 1.980 . 2.280 1.935 1.805 2.253 . 0 0 "[ . 1]" 2
44 1 9 DG N2 2 2 DC O2 2.900 2.650 3.150 2.897 2.799 3.115 . 0 0 "[ . 1]" 2
45 1 9 DG O6 2 2 DC H41 1.670 . 1.970 1.981 1.871 2.470 0.500 10 1 "[ . +]" 2
46 1 9 DG O6 2 2 DC N4 2.900 2.650 3.150 2.871 2.681 2.920 . 0 0 "[ . 1]" 2
47 1 10 DG H1 2 1 DC N3 1.850 . 1.950 2.049 2.023 2.096 0.146 2 0 "[ . 1]" 2
48 1 10 DG N1 2 1 DC N3 2.910 2.710 3.310 2.986 2.925 3.024 . 0 0 "[ . 1]" 2
49 1 10 DG H21 2 1 DC O2 1.980 . 2.380 2.095 1.968 2.241 . 0 0 "[ . 1]" 2
50 1 10 DG N2 2 1 DC O2 2.900 2.650 3.150 2.909 2.644 3.033 0.006 2 0 "[ . 1]" 2
51 1 10 DG O6 2 1 DC H41 1.670 . 2.070 1.992 1.870 2.096 0.026 7 0 "[ . 1]" 2
52 1 10 DG O6 2 1 DC N4 2.900 2.650 3.150 2.885 2.831 3.002 . 0 0 "[ . 1]" 2
stop_
save_
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