NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396904 |
1sp6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sp6
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 233
_Distance_constraint_stats_list.Viol_count 731
_Distance_constraint_stats_list.Viol_total 1193.655
_Distance_constraint_stats_list.Viol_max 1.186
_Distance_constraint_stats_list.Viol_rms 0.1061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0512
_Distance_constraint_stats_list.Viol_average_violations_only 0.1633
_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 1.564 0.231 1 0 "[ . 1]"
1 2 DC 4.427 0.238 2 0 "[ . 1]"
1 3 DA 13.655 0.568 1 1 "[+ . 1]"
1 4 DC 15.867 0.568 1 1 "[+ . 1]"
1 5 HOL 28.503 1.186 2 3 "[ + -. * 1]"
1 6 DG 13.041 0.598 3 8 "[* +****-*1]"
1 7 DG 2.666 0.360 2 0 "[ . 1]"
1 8 DA 4.320 0.261 1 0 "[ . 1]"
1 9 DA 11.492 0.362 2 0 "[ . 1]"
1 10 DC 9.369 0.455 2 0 "[ . 1]"
2 1 DG 3.194 0.378 2 0 "[ . 1]"
2 2 DT 2.370 0.378 2 0 "[ . 1]"
2 3 DT 0.400 0.291 2 0 "[ . 1]"
2 4 DC 8.677 0.451 2 0 "[ . 1]"
2 5 DC 20.021 1.186 2 2 "[ + . - 1]"
2 6 DG 18.374 0.493 2 0 "[ . 1]"
2 7 DG 2.216 0.193 1 0 "[ . 1]"
2 8 DT 5.409 0.380 1 0 "[ . 1]"
2 9 DG 7.428 0.380 1 0 "[ . 1]"
2 10 DG 2.018 0.202 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 H1' 1 1 DC H2' . . 2.870 2.926 2.897 2.971 0.101 2 0 "[ . 1]" 1
2 1 1 DC H1' 1 1 DC H3' . . 4.380 3.823 3.714 4.016 . 0 0 "[ . 1]" 1
3 1 1 DC H1' 1 2 DC H6 . . 4.270 4.339 4.185 4.493 0.223 3 0 "[ . 1]" 1
4 1 1 DC H2' 1 1 DC H3' . . 2.860 2.274 2.216 2.349 . 0 0 "[ . 1]" 1
5 1 1 DC H2' 1 1 DC H6 . . 2.690 2.389 2.291 2.489 . 0 0 "[ . 1]" 1
6 1 1 DC H3' 1 1 DC H4' . . 4.240 2.822 2.762 2.864 . 0 0 "[ . 1]" 1
7 1 1 DC H3' 1 2 DC H5 . . 4.470 4.348 4.195 4.434 . 0 0 "[ . 1]" 1
8 1 1 DC H3' 1 2 DC H6 . . 4.580 4.450 4.160 4.550 . 0 0 "[ . 1]" 1
9 1 1 DC H4' 1 1 DC H6 . . 4.500 4.294 4.098 4.399 . 0 0 "[ . 1]" 1
10 1 1 DC H42 1 2 DC H41 . . 5.000 3.725 3.361 4.050 . 0 0 "[ . 1]" 1
11 1 1 DC H5 1 2 DC H41 . . 5.000 4.116 3.821 4.387 . 0 0 "[ . 1]" 1
12 1 1 DC H6 1 2 DC H5 . . 4.170 3.958 3.692 4.401 0.231 1 0 "[ . 1]" 1
13 1 2 DC H1' 1 2 DC H2' . . 3.440 2.990 2.948 3.143 . 0 0 "[ . 1]" 1
14 1 2 DC H1' 1 2 DC H3' . . 4.090 3.861 3.808 3.982 . 0 0 "[ . 1]" 1
15 1 2 DC H1' 1 2 DC H4' . . 3.260 3.262 3.036 3.392 0.132 1 0 "[ . 1]" 1
16 1 2 DC H1' 1 2 DC H6 . . 3.600 3.620 3.575 3.646 0.046 2 0 "[ . 1]" 1
17 1 2 DC H1' 1 3 DA H8 . . 3.660 3.724 3.633 3.793 0.133 6 0 "[ . 1]" 1
18 1 2 DC H2' 1 2 DC H6 . . 2.360 2.054 1.995 2.124 . 0 0 "[ . 1]" 1
19 1 2 DC H2' 1 3 DA H8 . . 3.580 3.471 3.403 3.599 0.019 2 0 "[ . 1]" 1
20 1 2 DC H3' 1 2 DC H6 . . 3.560 3.648 3.556 3.798 0.238 2 0 "[ . 1]" 1
21 1 2 DC H4' 1 2 DC H6 . . 4.680 4.388 4.148 4.613 . 0 0 "[ . 1]" 1
22 1 2 DC H41 2 9 DG H1 . . 3.000 2.091 2.043 2.221 . 0 0 "[ . 1]" 1
23 1 2 DC H42 2 9 DG H1 . . 3.500 3.630 3.595 3.728 0.228 1 0 "[ . 1]" 1
24 1 2 DC H5 2 9 DG H1 . . 5.000 4.839 4.768 4.898 . 0 0 "[ . 1]" 1
25 1 3 DA H1' 1 3 DA H2 . . 5.000 4.502 4.454 4.540 . 0 0 "[ . 1]" 1
26 1 3 DA H1' 1 3 DA H2' . . 2.710 2.911 2.859 2.963 0.253 1 0 "[ . 1]" 1
27 1 3 DA H1' 1 3 DA H3' . . 4.030 3.829 3.745 3.983 . 0 0 "[ . 1]" 1
28 1 3 DA H1' 1 3 DA H4' . . 3.310 3.366 3.293 3.554 0.244 1 0 "[ . 1]" 1
29 1 3 DA H1' 1 3 DA H8 . . 3.660 3.736 3.704 3.829 0.169 1 0 "[ . 1]" 1
30 1 3 DA H1' 1 4 DC H42 . . 6.000 5.977 5.877 6.171 0.171 2 0 "[ . 1]" 1
31 1 3 DA H1' 1 4 DC H6 . . 3.800 4.139 4.066 4.368 0.568 1 1 "[+ . 1]" 1
32 1 3 DA H1' 2 9 DG H1 . . 6.000 6.051 6.003 6.209 0.209 2 0 "[ . 1]" 1
33 1 3 DA H2 2 8 DT H3 . . 3.000 2.729 2.605 2.877 . 0 0 "[ . 1]" 1
34 1 3 DA H2 2 9 DG H1 . . 4.500 4.126 3.909 4.482 . 0 0 "[ . 1]" 1
35 1 3 DA H2' 1 3 DA H4' . . 3.740 3.763 3.717 3.843 0.103 1 0 "[ . 1]" 1
36 1 3 DA H2' 1 3 DA H8 . . 2.440 2.262 2.151 2.327 . 0 0 "[ . 1]" 1
37 1 3 DA H2' 1 4 DC H6 . . 3.650 2.870 2.811 2.938 . 0 0 "[ . 1]" 1
38 1 3 DA H3' 1 3 DA H8 . . 3.950 3.953 3.762 4.081 0.131 8 0 "[ . 1]" 1
39 1 3 DA H3' 1 4 DC H6 . . 3.530 3.805 3.713 3.851 0.321 5 0 "[ . 1]" 1
40 1 3 DA H4' 1 3 DA H8 . . 4.390 4.431 4.266 4.502 0.112 1 0 "[ . 1]" 1
41 1 3 DA H8 1 4 DC H5 . . 3.540 3.698 3.662 3.750 0.210 5 0 "[ . 1]" 1
42 1 3 DA H8 1 4 DC H6 . . 5.000 4.832 4.751 4.868 . 0 0 "[ . 1]" 1
43 1 4 DC H1' 1 4 DC H6 . . 4.050 3.631 3.566 3.677 . 0 0 "[ . 1]" 1
44 1 4 DC H1' 1 5 HOL C15 . . 5.000 5.236 5.084 5.473 0.473 1 0 "[ . 1]" 1
45 1 4 DC H2' 1 4 DC H3' . . 2.850 2.315 2.263 2.439 . 0 0 "[ . 1]" 1
46 1 4 DC H2' 1 4 DC H5 . . 3.940 4.157 4.041 4.235 0.295 2 0 "[ . 1]" 1
47 1 4 DC H2' 1 4 DC H6 . . 2.790 1.984 1.925 2.054 . 0 0 "[ . 1]" 1
48 1 4 DC H3' 1 4 DC H6 . . 3.960 4.057 3.977 4.152 0.192 1 0 "[ . 1]" 1
49 1 4 DC H4' 1 4 DC H6 . . 4.740 4.680 4.425 4.875 0.135 2 0 "[ . 1]" 1
50 1 4 DC H41 2 7 DG H1 . . 4.000 2.512 2.174 2.629 . 0 0 "[ . 1]" 1
51 1 4 DC H41 2 8 DT H3 . . 5.000 4.640 4.482 4.734 . 0 0 "[ . 1]" 1
52 1 4 DC H42 2 7 DG H1 . . 5.000 4.052 3.757 4.152 . 0 0 "[ . 1]" 1
53 1 4 DC H5 1 5 HOL C15 . . 5.000 4.632 4.404 5.082 0.082 10 0 "[ . 1]" 1
54 1 4 DC H5 1 5 HOL H101 . . 5.000 5.201 5.106 5.416 0.416 2 0 "[ . 1]" 1
55 1 4 DC H5 1 5 HOL H102 . . 5.000 3.645 3.544 3.803 . 0 0 "[ . 1]" 1
56 1 4 DC H6 1 5 HOL C15 . . 6.000 5.269 5.006 5.943 . 0 0 "[ . 1]" 1
57 1 5 HOL C15 1 6 DG H8 . . 6.000 6.024 5.583 6.223 0.223 1 0 "[ . 1]" 1
58 1 5 HOL C24 2 6 DG H1' . . 6.000 3.296 3.234 3.360 . 0 0 "[ . 1]" 1
59 1 5 HOL C24 2 6 DG H4' . . 6.000 3.530 3.445 3.631 . 0 0 "[ . 1]" 1
60 1 5 HOL C24 2 7 DG H1' . . 5.000 3.063 2.984 3.179 . 0 0 "[ . 1]" 1
61 1 5 HOL H1' 1 5 HOL H2' . . 3.090 2.422 2.294 2.543 . 0 0 "[ . 1]" 1
62 1 5 HOL H1' 1 5 HOL H21 . . 3.000 2.546 2.021 3.430 0.430 4 0 "[ . 1]" 1
63 1 5 HOL H1' 1 5 HOL H22 . . 3.000 3.075 1.914 3.419 0.419 2 0 "[ . 1]" 1
64 1 5 HOL H1' 1 5 HOL H3' . . 3.980 3.707 2.959 3.965 . 0 0 "[ . 1]" 1
65 1 5 HOL H1' 1 5 HOL H31 . . 4.000 3.545 1.887 4.096 0.096 2 0 "[ . 1]" 1
66 1 5 HOL H1' 1 5 HOL H32 . . 4.000 3.558 2.466 4.208 0.208 2 0 "[ . 1]" 1
67 1 5 HOL H1' 1 5 HOL H41 . . 5.000 3.015 2.322 4.330 . 0 0 "[ . 1]" 1
68 1 5 HOL H1' 1 5 HOL H42 . . 5.000 4.144 3.607 4.767 . 0 0 "[ . 1]" 1
69 1 5 HOL H131 1 6 DG H8 . . 5.000 3.642 3.524 3.834 . 0 0 "[ . 1]" 1
70 1 5 HOL H132 1 6 DG H8 . . 5.000 3.149 2.534 3.450 . 0 0 "[ . 1]" 1
71 1 5 HOL H141 1 6 DG H8 . . 5.000 4.595 4.459 5.082 0.082 10 0 "[ . 1]" 1
72 1 5 HOL H142 1 6 DG H8 . . 5.000 3.016 2.838 3.776 . 0 0 "[ . 1]" 1
73 1 5 HOL H19 2 5 DC H1' . . 6.000 6.054 6.015 6.133 0.133 1 0 "[ . 1]" 1
74 1 5 HOL H19 2 5 DC H5 . . 6.000 6.041 5.934 6.156 0.156 1 0 "[ . 1]" 1
75 1 5 HOL H19 2 5 DC H6 . . 6.000 6.341 6.274 6.457 0.457 1 0 "[ . 1]" 1
76 1 5 HOL H19 2 6 DG H8 . . 5.000 5.200 5.163 5.245 0.245 3 0 "[ . 1]" 1
77 1 5 HOL H2' 1 5 HOL H21 . . 5.000 3.834 3.193 5.082 0.082 4 0 "[ . 1]" 1
78 1 5 HOL H2' 1 5 HOL H22 . . 4.000 4.136 3.868 4.561 0.561 4 1 "[ +. 1]" 1
79 1 5 HOL H2' 1 5 HOL H3' . . 3.220 2.438 2.369 2.654 . 0 0 "[ . 1]" 1
80 1 5 HOL H201 2 6 DG H1' . . 6.000 4.604 4.455 4.657 . 0 0 "[ . 1]" 1
81 1 5 HOL H202 2 6 DG H1' . . 6.000 6.232 6.156 6.326 0.326 2 0 "[ . 1]" 1
82 1 5 HOL H21 1 5 HOL H5 . . 5.000 4.082 3.482 4.531 . 0 0 "[ . 1]" 1
83 1 5 HOL H22 1 5 HOL H5 . . 5.000 3.944 2.712 4.500 . 0 0 "[ . 1]" 1
84 1 5 HOL H261 2 5 DC H1' . . 5.000 4.815 4.693 4.978 . 0 0 "[ . 1]" 1
85 1 5 HOL H261 2 5 DC H2' . . 5.500 4.301 3.951 4.497 . 0 0 "[ . 1]" 1
86 1 5 HOL H261 2 6 DG H1' . . 5.500 4.359 4.233 4.459 . 0 0 "[ . 1]" 1
87 1 5 HOL H261 2 6 DG H3' . . 6.500 5.150 5.076 5.444 . 0 0 "[ . 1]" 1
88 1 5 HOL H261 2 6 DG H5' . . 5.000 2.319 2.242 2.565 . 0 0 "[ . 1]" 1
89 1 5 HOL H261 2 7 DG H1' . . 5.000 4.737 4.674 4.828 . 0 0 "[ . 1]" 1
90 1 5 HOL H261 2 7 DG H8 . . 6.000 5.463 5.381 5.658 . 0 0 "[ . 1]" 1
91 1 5 HOL H302 2 5 DC H1' . . 6.000 5.852 5.352 7.186 1.186 2 2 "[ + . - 1]" 1
92 1 5 HOL H302 2 7 DG H1' . . 6.000 5.570 5.102 5.787 . 0 0 "[ . 1]" 1
93 1 5 HOL H31 1 5 HOL H5 . . 4.000 3.199 2.316 3.483 . 0 0 "[ . 1]" 1
94 1 5 HOL H41 1 5 HOL H5 . . 3.000 2.829 2.657 2.910 . 0 0 "[ . 1]" 1
95 1 5 HOL H42 1 5 HOL H5 . . 3.000 2.544 2.250 2.793 . 0 0 "[ . 1]" 1
96 1 5 HOL H5' 1 6 DG H1' . . 5.000 5.128 4.679 5.493 0.493 1 0 "[ . 1]" 1
97 1 5 HOL H5' 1 6 DG H3' . . 4.000 4.100 2.214 4.399 0.399 1 0 "[ . 1]" 1
98 1 5 HOL H9 1 6 DG H8 . . 4.000 4.206 4.101 4.345 0.345 1 0 "[ . 1]" 1
99 1 6 DG H1' 1 6 DG H2' . . 3.350 3.005 2.917 3.097 . 0 0 "[ . 1]" 1
100 1 6 DG H1' 1 6 DG H3' . . 4.270 3.786 3.715 3.904 . 0 0 "[ . 1]" 1
101 1 6 DG H1' 1 6 DG H4' . . 4.370 3.321 3.169 3.612 . 0 0 "[ . 1]" 1
102 1 6 DG H4' 1 6 DG H8 . . 3.800 4.339 4.202 4.398 0.598 3 8 "[* +****-*1]" 1
103 1 7 DG H1 1 8 DA H2 . . 4.000 3.860 3.626 4.052 0.052 2 0 "[ . 1]" 1
104 1 7 DG H1 2 3 DT H3 . . 5.000 3.721 3.359 4.189 . 0 0 "[ . 1]" 1
105 1 7 DG H1 2 4 DC H41 . . 3.000 2.074 2.005 2.251 . 0 0 "[ . 1]" 1
106 1 7 DG H1 2 4 DC H42 . . 3.500 3.572 3.519 3.784 0.284 1 0 "[ . 1]" 1
107 1 7 DG H1 2 4 DC H5 . . 5.000 4.790 4.724 4.892 . 0 0 "[ . 1]" 1
108 1 7 DG H1' 1 7 DG H2' . . 3.400 3.008 2.982 3.042 . 0 0 "[ . 1]" 1
109 1 7 DG H1' 1 7 DG H3' . . 3.740 3.720 3.660 3.815 0.075 1 0 "[ . 1]" 1
110 1 7 DG H1' 1 7 DG H4' . . 3.220 3.072 2.888 3.179 . 0 0 "[ . 1]" 1
111 1 7 DG H1' 1 7 DG H8 . . 3.720 3.780 3.732 3.846 0.126 1 0 "[ . 1]" 1
112 1 7 DG H1' 1 8 DA H8 . . 3.530 3.371 3.219 3.585 0.055 7 0 "[ . 1]" 1
113 1 7 DG H2' 1 7 DG H8 . . 2.560 2.210 2.063 2.289 . 0 0 "[ . 1]" 1
114 1 7 DG H2' 1 8 DA H8 . . 5.290 4.061 3.879 4.648 . 0 0 "[ . 1]" 1
115 1 7 DG H3' 1 7 DG H8 . . 4.220 4.289 4.192 4.385 0.165 1 0 "[ . 1]" 1
116 1 7 DG H4' 1 7 DG H8 . . 4.840 4.844 4.714 5.200 0.360 2 0 "[ . 1]" 1
117 1 8 DA H1' 1 8 DA H2 . . 4.170 4.313 4.278 4.340 0.170 4 0 "[ . 1]" 1
118 1 8 DA H1' 1 8 DA H2' . . 3.540 3.008 2.958 3.094 . 0 0 "[ . 1]" 1
119 1 8 DA H1' 1 8 DA H3' . . 4.260 3.880 3.815 4.106 . 0 0 "[ . 1]" 1
120 1 8 DA H1' 1 8 DA H8 . . 3.690 3.805 3.742 3.951 0.261 1 0 "[ . 1]" 1
121 1 8 DA H1' 1 9 DA H8 . . 4.020 3.471 3.233 3.759 . 0 0 "[ . 1]" 1
122 1 8 DA H2 1 9 DA H2 . . 4.000 3.823 3.735 3.928 . 0 0 "[ . 1]" 1
123 1 8 DA H2 2 3 DT H3 . . 3.000 2.626 2.348 2.736 . 0 0 "[ . 1]" 1
124 1 8 DA H2' 1 8 DA H4' . . 3.520 3.655 3.588 3.724 0.204 1 0 "[ . 1]" 1
125 1 8 DA H2' 1 9 DA H8 . . 4.290 3.755 3.595 3.862 . 0 0 "[ . 1]" 1
126 1 8 DA H4' 1 8 DA H8 . . 4.530 4.522 4.408 4.697 0.167 1 0 "[ . 1]" 1
127 1 9 DA H1' 1 9 DA H2 . . 4.000 4.301 4.265 4.362 0.362 2 0 "[ . 1]" 1
128 1 9 DA H1' 1 9 DA H4' . . 2.790 2.962 2.910 3.114 0.324 1 0 "[ . 1]" 1
129 1 9 DA H1' 1 9 DA H8 . . 3.750 3.727 3.688 3.770 0.020 1 0 "[ . 1]" 1
130 1 9 DA H1' 1 10 DC H6 . . 3.660 3.716 3.542 3.792 0.132 7 0 "[ . 1]" 1
131 1 9 DA H2 1 10 DC H1' . . 5.000 4.415 4.055 4.711 . 0 0 "[ . 1]" 1
132 1 9 DA H2 2 2 DT H3 . . 3.000 2.756 2.378 3.028 0.028 1 0 "[ . 1]" 1
133 1 9 DA H2 2 3 DT H3 . . 3.500 3.121 2.861 3.266 . 0 0 "[ . 1]" 1
134 1 9 DA H2' 1 9 DA H3' . . 2.510 2.174 2.145 2.268 . 0 0 "[ . 1]" 1
135 1 9 DA H2' 1 9 DA H4' . . 3.630 3.680 3.610 3.842 0.212 1 0 "[ . 1]" 1
136 1 9 DA H2' 1 9 DA H8 . . 2.480 2.181 2.068 2.299 . 0 0 "[ . 1]" 1
137 1 9 DA H2' 1 10 DC H5 . . 3.740 3.207 3.113 3.315 . 0 0 "[ . 1]" 1
138 1 9 DA H2' 1 10 DC H6 . . 3.910 3.012 2.785 3.184 . 0 0 "[ . 1]" 1
139 1 9 DA H3' 1 9 DA H8 . . 4.000 3.896 3.753 4.039 0.039 2 0 "[ . 1]" 1
140 1 9 DA H3' 1 10 DC H6 . . 4.140 4.434 4.400 4.496 0.356 1 0 "[ . 1]" 1
141 1 9 DA H4' 1 9 DA H8 . . 4.200 4.438 4.349 4.537 0.337 7 0 "[ . 1]" 1
142 1 9 DA H8 1 10 DC H5 . . 3.550 3.396 3.141 3.550 . 0 0 "[ . 1]" 1
143 1 9 DA H8 1 10 DC H6 . . 4.430 4.401 4.320 4.496 0.066 7 0 "[ . 1]" 1
144 1 10 DC H1' 1 10 DC H6 . . 3.410 3.507 3.467 3.592 0.182 2 0 "[ . 1]" 1
145 1 10 DC H2' 1 10 DC H3' . . 2.610 2.256 2.225 2.397 . 0 0 "[ . 1]" 1
146 1 10 DC H2' 1 10 DC H5 . . 5.000 4.176 4.041 4.471 . 0 0 "[ . 1]" 1
147 1 10 DC H2' 1 10 DC H6 . . 2.540 2.428 2.306 2.597 0.057 2 0 "[ . 1]" 1
148 1 10 DC H3' 1 10 DC H6 . . 3.500 3.654 3.547 3.955 0.455 2 0 "[ . 1]" 1
149 1 10 DC H4' 1 10 DC H6 . . 3.840 4.048 3.898 4.210 0.370 1 0 "[ . 1]" 1
150 1 10 DC H41 2 1 DG H1 . . 5.000 2.568 2.473 2.686 . 0 0 "[ . 1]" 1
151 1 10 DC H42 2 1 DG H1 . . 4.000 4.093 3.963 4.220 0.220 2 0 "[ . 1]" 1
152 2 1 DG H1 2 2 DT H3 . . 5.000 3.394 3.204 3.451 . 0 0 "[ . 1]" 1
153 2 1 DG H1' 2 1 DG H2' . . 3.730 2.963 2.925 3.066 . 0 0 "[ . 1]" 1
154 2 1 DG H1' 2 1 DG H8 . . 3.790 3.811 3.762 3.842 0.052 2 0 "[ . 1]" 1
155 2 1 DG H1' 2 2 DT H6 . . 3.720 3.899 3.834 4.098 0.378 2 0 "[ . 1]" 1
156 2 1 DG H2' 2 1 DG H3' . . 2.670 2.232 2.179 2.300 . 0 0 "[ . 1]" 1
157 2 1 DG H2' 2 1 DG H8 . . 2.900 2.601 2.536 2.847 . 0 0 "[ . 1]" 1
158 2 1 DG H3' 2 1 DG H8 . . 4.390 4.042 3.944 4.225 . 0 0 "[ . 1]" 1
159 2 1 DG H3' 2 2 DT H6 . . 4.430 4.440 4.389 4.543 0.113 1 0 "[ . 1]" 1
160 2 1 DG H4' 2 1 DG H8 . . 4.590 4.499 4.436 4.556 . 0 0 "[ . 1]" 1
161 2 2 DT H1' 2 2 DT H2' . . 3.080 2.977 2.914 3.006 . 0 0 "[ . 1]" 1
162 2 2 DT H1' 2 2 DT H3' . . 4.030 3.788 3.750 3.832 . 0 0 "[ . 1]" 1
163 2 2 DT H1' 2 2 DT H4' . . 3.340 3.218 3.126 3.345 0.005 1 0 "[ . 1]" 1
164 2 2 DT H1' 2 2 DT H6 . . 3.750 3.665 3.609 3.769 0.019 1 0 "[ . 1]" 1
165 2 2 DT H2' 2 2 DT H4' . . 3.750 3.780 3.745 3.870 0.120 2 0 "[ . 1]" 1
166 2 2 DT H3' 2 2 DT H4' . . 3.180 2.759 2.716 2.783 . 0 0 "[ . 1]" 1
167 2 2 DT H4' 2 2 DT H6 . . 4.540 4.470 4.391 4.567 0.027 2 0 "[ . 1]" 1
168 2 3 DT H1' 2 3 DT H2' . . 2.970 2.971 2.891 3.009 0.039 1 0 "[ . 1]" 1
169 2 3 DT H1' 2 3 DT H6 . . 4.330 3.665 3.576 3.753 . 0 0 "[ . 1]" 1
170 2 3 DT H1' 2 4 DC H6 . . 3.940 3.837 3.676 4.231 0.291 2 0 "[ . 1]" 1
171 2 3 DT H2' 2 3 DT H6 . . 2.210 2.040 1.981 2.155 . 0 0 "[ . 1]" 1
172 2 3 DT H6 2 4 DC H5 . . 3.810 3.477 3.324 3.566 . 0 0 "[ . 1]" 1
173 2 4 DC H1' 2 4 DC H3' . . 4.140 3.717 3.663 3.783 . 0 0 "[ . 1]" 1
174 2 4 DC H1' 2 4 DC H6 . . 3.750 3.554 3.505 3.601 . 0 0 "[ . 1]" 1
175 2 4 DC H1' 2 5 DC H6 . . 4.270 4.416 4.361 4.489 0.219 10 0 "[ . 1]" 1
176 2 4 DC H2' 2 4 DC H6 . . 2.410 2.025 1.855 2.167 . 0 0 "[ . 1]" 1
177 2 4 DC H2' 2 5 DC H6 . . 3.870 3.342 3.136 3.565 . 0 0 "[ . 1]" 1
178 2 4 DC H4' 2 4 DC H6 . . 4.080 4.419 4.235 4.531 0.451 2 0 "[ . 1]" 1
179 2 4 DC H6 2 5 DC H6 . . 4.030 4.311 4.187 4.464 0.434 1 0 "[ . 1]" 1
180 2 5 DC H1' 2 5 DC H2' . . 3.150 2.792 2.764 2.883 . 0 0 "[ . 1]" 1
181 2 5 DC H1' 2 5 DC H3' . . 3.630 3.857 3.830 3.916 0.286 2 0 "[ . 1]" 1
182 2 5 DC H1' 2 5 DC H4' . . 2.970 2.926 2.880 2.970 . 0 0 "[ . 1]" 1
183 2 5 DC H1' 2 5 DC H6 . . 3.680 3.655 3.612 3.751 0.071 1 0 "[ . 1]" 1
184 2 5 DC H1' 2 6 DG H8 . . 4.710 5.070 5.006 5.183 0.473 1 0 "[ . 1]" 1
185 2 5 DC H2' 2 5 DC H3' . . 2.770 2.214 2.172 2.293 . 0 0 "[ . 1]" 1
186 2 5 DC H2' 2 5 DC H4' . . 3.980 3.819 3.790 3.913 . 0 0 "[ . 1]" 1
187 2 5 DC H2' 2 5 DC H5 . . 4.540 4.309 4.074 4.539 . 0 0 "[ . 1]" 1
188 2 5 DC H2' 2 5 DC H6 . . 2.720 2.436 2.329 2.722 0.002 1 0 "[ . 1]" 1
189 2 5 DC H2' 2 6 DG H8 . . 3.430 2.423 2.351 2.511 . 0 0 "[ . 1]" 1
190 2 5 DC H3' 2 5 DC H4' . . 3.390 2.978 2.899 3.138 . 0 0 "[ . 1]" 1
191 2 5 DC H3' 2 6 DG H8 . . 3.490 3.672 3.626 3.844 0.354 2 0 "[ . 1]" 1
192 2 5 DC H4' 2 5 DC H6 . . 4.170 4.289 4.235 4.353 0.183 1 0 "[ . 1]" 1
193 2 5 DC H6 2 6 DG H8 . . 4.340 3.865 3.786 3.973 . 0 0 "[ . 1]" 1
194 2 6 DG H1' 2 6 DG H2' . . 3.130 3.012 2.975 3.030 . 0 0 "[ . 1]" 1
195 2 6 DG H1' 2 6 DG H3' . . 3.570 3.816 3.776 3.849 0.279 3 0 "[ . 1]" 1
196 2 6 DG H1' 2 6 DG H4' . . 2.920 2.824 2.641 2.893 . 0 0 "[ . 1]" 1
197 2 6 DG H1' 2 6 DG H8 . . 3.150 3.476 3.400 3.511 0.361 2 0 "[ . 1]" 1
198 2 6 DG H1' 2 7 DG H8 . . 3.820 3.120 2.922 3.204 . 0 0 "[ . 1]" 1
199 2 6 DG H2' 2 6 DG H8 . . 2.730 3.020 2.951 3.223 0.493 2 0 "[ . 1]" 1
200 2 6 DG H3' 2 6 DG H4' . . 3.290 2.885 2.858 2.990 . 0 0 "[ . 1]" 1
201 2 6 DG H3' 2 7 DG H8 . . 5.030 4.447 4.336 4.531 . 0 0 "[ . 1]" 1
202 2 6 DG H4' 2 6 DG H8 . . 4.530 4.320 4.269 4.410 . 0 0 "[ . 1]" 1
203 2 7 DG H1 2 8 DT H3 . . 5.000 3.265 3.136 3.511 . 0 0 "[ . 1]" 1
204 2 7 DG H1' 2 7 DG H2' . . 3.530 3.016 2.985 3.053 . 0 0 "[ . 1]" 1
205 2 7 DG H1' 2 7 DG H8 . . 3.730 3.732 3.685 3.795 0.065 1 0 "[ . 1]" 1
206 2 7 DG H2' 2 7 DG H8 . . 2.970 2.711 2.640 2.749 . 0 0 "[ . 1]" 1
207 2 7 DG H2' 2 8 DT H6 . . 3.440 3.292 3.014 3.532 0.092 2 0 "[ . 1]" 1
208 2 7 DG H3' 2 7 DG H8 . . 4.190 4.278 4.218 4.383 0.193 1 0 "[ . 1]" 1
209 2 7 DG H4' 2 7 DG H8 . . 4.010 4.121 4.009 4.192 0.182 1 0 "[ . 1]" 1
210 2 8 DT H1' 2 8 DT H2' . . 3.510 2.968 2.949 2.987 . 0 0 "[ . 1]" 1
211 2 8 DT H1' 2 8 DT H6 . . 3.210 3.529 3.493 3.587 0.377 2 0 "[ . 1]" 1
212 2 8 DT H1' 2 9 DG H8 . . 4.130 4.275 4.201 4.510 0.380 1 0 "[ . 1]" 1
213 2 8 DT H2' 2 8 DT H6 . . 2.220 2.171 2.130 2.230 0.010 1 0 "[ . 1]" 1
214 2 8 DT H2' 2 9 DG H8 . . 3.660 2.934 2.707 3.019 . 0 0 "[ . 1]" 1
215 2 8 DT H3 2 9 DG H1 . . 5.000 3.913 3.826 4.071 . 0 0 "[ . 1]" 1
216 2 8 DT H3' 2 9 DG H8 . . 4.480 4.516 4.365 4.635 0.155 2 0 "[ . 1]" 1
217 2 8 DT H4' 2 8 DT H6 . . 4.630 4.085 3.966 4.131 . 0 0 "[ . 1]" 1
218 2 8 DT H6 2 9 DG H8 . . 4.640 4.639 4.569 4.746 0.106 2 0 "[ . 1]" 1
219 2 9 DG H1' 2 9 DG H4' . . 3.370 2.933 2.848 2.968 . 0 0 "[ . 1]" 1
220 2 9 DG H1' 2 9 DG H8 . . 3.680 3.743 3.717 3.777 0.097 1 0 "[ . 1]" 1
221 2 9 DG H1' 2 10 DG H8 . . 3.640 3.259 3.142 3.383 . 0 0 "[ . 1]" 1
222 2 9 DG H2' 2 9 DG H4' . . 3.940 3.719 3.677 3.750 . 0 0 "[ . 1]" 1
223 2 9 DG H2' 2 9 DG H8 . . 2.460 2.107 2.037 2.137 . 0 0 "[ . 1]" 1
224 2 9 DG H2' 2 10 DG H8 . . 4.230 4.348 4.226 4.432 0.202 5 0 "[ . 1]" 1
225 2 9 DG H3' 2 9 DG H8 . . 4.080 4.237 4.197 4.316 0.236 2 0 "[ . 1]" 1
226 2 9 DG H3' 2 10 DG H8 . . 4.940 4.591 4.353 4.874 . 0 0 "[ . 1]" 1
227 2 9 DG H4' 2 9 DG H8 . . 4.890 4.877 4.815 4.953 0.063 2 0 "[ . 1]" 1
228 2 10 DG H1' 2 10 DG H3' . . 4.200 3.911 3.852 3.969 . 0 0 "[ . 1]" 1
229 2 10 DG H1' 2 10 DG H8 . . 4.060 3.778 3.727 3.954 . 0 0 "[ . 1]" 1
230 2 10 DG H2' 2 10 DG H8 . . 2.640 2.348 2.255 2.510 . 0 0 "[ . 1]" 1
231 2 10 DG H3' 2 10 DG H4' . . 3.160 2.692 2.646 2.758 . 0 0 "[ . 1]" 1
232 2 10 DG H3' 2 10 DG H8 . . 4.090 3.865 3.683 4.179 0.089 2 0 "[ . 1]" 1
233 2 10 DG H4' 2 10 DG H8 . . 4.290 4.361 4.256 4.483 0.193 1 0 "[ . 1]" 1
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