NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550213 |
2lsx   |
18452 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsx
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 199
_Distance_constraint_stats_list.Viol_count 1971
_Distance_constraint_stats_list.Viol_total 32338.381
_Distance_constraint_stats_list.Viol_max 4.083
_Distance_constraint_stats_list.Viol_rms 1.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 1.6250
_Distance_constraint_stats_list.Viol_average_violations_only 1.6407
_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 DT 230.497 3.339 2 10 [*+***-****]
1 2 DC 313.761 3.797 9 10 [****-***+*]
1 3 DG 516.997 4.083 5 10 [****+*****]
1 4 DT 155.448 3.596 4 10 [-**+******]
1 5 DT 93.867 3.108 8 10 [***-***+**]
1 6 DT 198.933 3.280 1 10 [+****-****]
1 7 DC 316.480 3.714 10 10 [***-*****+]
1 8 DG 502.004 3.865 8 10 [***-***+**]
1 9 DT 234.294 3.865 8 10 [****-**+**]
1 10 DT 84.066 3.504 2 10 [*+********]
2 1 DT 170.275 3.200 6 10 [***-*+****]
2 2 DC 228.038 3.680 10 10 [******-**+]
2 3 DG 383.997 3.680 10 10 [*******-*+]
2 4 DT 190.957 4.083 5 10 [***-+*****]
2 5 DT 69.426 3.152 8 10 [*-*****+**]
2 6 DT 224.027 3.638 7 10 [****-*+***]
2 7 DC 313.795 4.061 1 10 [+****-****]
2 8 DG 469.615 4.061 1 10 [+****-****]
2 9 DT 145.765 3.425 10 10 [*******-*+]
2 10 DT 83.719 3.280 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 DT H1' 1 1 DT H3 . . 2.000 4.561 4.502 4.645 2.645 1 10 [+**-******] 1
2 1 1 DT H1' 1 1 DT H6 . . 2.000 3.717 3.618 3.759 1.759 8 10 [-******+**] 1
3 1 1 DT H1' 1 2 DC H6 . . 3.000 5.588 5.389 5.807 2.807 5 10 [****+***-*] 1
4 1 1 DT H1' 2 7 DC Q4 . . 3.000 3.921 3.470 4.348 1.348 1 9 "[+****** *-]" 1
5 1 1 DT Q2' 1 1 DT H3 . . 2.000 5.032 4.561 5.247 3.247 4 10 [-**+******] 1
6 1 1 DT Q2' 1 1 DT H6 . . 2.000 2.544 2.189 3.197 1.197 1 5 "[+** . -*]" 1
7 1 1 DT Q2' 1 1 DT M7 . . 2.000 4.015 3.846 4.361 2.361 1 10 [+******-**] 1
8 1 1 DT Q2' 1 2 DC H6 . . 3.000 3.471 2.924 3.995 0.995 5 4 "[ *+ -*]" 1
9 1 1 DT H3 1 9 DT H1' . . 2.000 4.772 3.190 5.339 3.339 2 10 [-+********] 1
10 1 1 DT H3 2 7 DC H5 . . 3.000 3.576 3.261 3.864 0.864 4 7 "[* +*- ***]" 1
11 1 1 DT H3 2 7 DC H6 . . 3.000 5.108 4.706 5.550 2.550 4 10 [***+****-*] 1
12 1 1 DT H3 2 8 DG H1 . . 2.000 2.381 2.281 2.455 0.455 8 0 "[ . 1]" 1
13 1 1 DT H4' 1 1 DT H6 . . 2.000 4.362 3.827 4.756 2.756 8 10 [-******+**] 1
14 1 1 DT Q5' 1 1 DT H6 . . 2.000 2.994 2.090 4.363 2.363 5 7 "[ **+ **-*]" 1
15 1 2 DC H1' 1 2 DC H6 . . 2.000 3.732 3.693 3.769 1.769 10 10 [**-******+] 1
16 1 2 DC H1' 1 3 DG H4' . . 2.000 3.684 3.212 4.054 2.054 4 10 [***+*****-] 1
17 1 2 DC H1' 1 3 DG H8 . . 2.000 4.636 4.515 4.803 2.803 4 10 [-**+******] 1
18 1 2 DC Q2' 1 2 DC H6 . . 2.000 2.233 2.088 2.380 0.380 7 0 "[ . 1]" 1
19 1 2 DC Q2' 1 3 DG Q2' . . 2.000 3.767 3.671 3.866 1.866 10 10 [-********+] 1
20 1 2 DC Q2' 1 3 DG H4' . . 2.000 3.997 3.806 4.160 2.160 8 10 [*******+-*] 1
21 1 2 DC Q2' 1 3 DG H8 . . 2.000 2.481 2.389 2.578 0.578 4 4 "[ +- **]" 1
22 1 2 DC H3' 1 2 DC H6 . . 2.000 3.514 3.213 3.998 1.998 4 10 [*-*+******] 1
23 1 2 DC H4' 1 2 DC H6 . . 2.000 4.406 4.236 4.549 2.549 10 10 [******-**+] 1
24 1 2 DC Q4 1 3 DG H1 . . 2.000 2.964 2.795 3.336 1.336 10 10 [-********+] 1
25 1 2 DC Q4 1 3 DG Q2 . . 2.000 2.603 2.463 2.723 0.723 1 7 "[+** .***-1]" 1
26 1 2 DC Q4 2 6 DT H1' . . 3.000 3.860 3.114 4.345 1.345 8 8 "[* -***+**]" 1
27 1 2 DC H5 1 3 DG H1 . . 2.000 3.719 3.194 4.177 2.177 7 10 [***-**+***] 1
28 1 2 DC H5 2 6 DT H3 . . 3.000 3.736 3.051 4.310 1.310 10 7 "[- * .****+]" 1
29 1 2 DC H6 1 3 DG Q5' . . 2.000 5.544 5.304 5.797 3.797 9 10 [*-******+*] 1
30 1 2 DC H6 1 3 DG H8 . . 2.000 5.258 4.962 5.507 3.507 2 10 [*+*-******] 1
31 1 2 DC H6 2 6 DT H3 . . 3.000 5.173 4.419 5.578 2.578 7 10 [***-**+***] 1
32 1 3 DG H1 2 3 DG H1' . . 2.000 4.529 4.328 4.653 2.653 6 10 [*****+***-] 1
33 1 3 DG H1 2 3 DG H4' . . 2.000 4.976 4.370 5.428 3.428 8 10 [*******+-*] 1
34 1 3 DG H1 2 4 DT M7 . . 2.000 4.070 3.426 4.765 2.765 6 10 [*****+**-*] 1
35 1 3 DG H1 2 6 DT H3 . . 2.000 2.482 2.290 2.707 0.707 3 4 "[ *+ - *]" 1
36 1 3 DG H1' 1 3 DG H8 . . 2.000 3.885 3.854 3.913 1.913 6 10 [*-***+****] 1
37 1 3 DG H1' 1 4 DT H6 . . 2.000 3.382 2.916 3.773 1.773 10 10 [-********+] 1
38 1 3 DG H1' 1 4 DT M7 . . 2.000 2.861 2.153 4.562 2.562 5 6 "[- *+*** 1]" 1
39 1 3 DG H1' 2 3 DG H1 . . 2.000 4.431 4.130 4.628 2.628 1 10 [+********-] 1
40 1 3 DG H1' 2 3 DG Q2 . . 2.000 1.996 1.863 2.226 0.226 4 0 "[ . 1]" 1
41 1 3 DG Q2' 1 3 DG H8 . . 2.000 2.383 2.272 2.555 0.555 8 2 "[ .- + 1]" 1
42 1 3 DG Q2' 1 4 DT M7 . . 2.000 2.818 2.141 5.002 3.002 5 4 "[ - *+ * 1]" 1
43 1 3 DG Q2 2 3 DG H1' . . 2.000 2.330 2.043 2.621 0.621 7 3 "[ .*+- 1]" 1
44 1 3 DG Q2 2 4 DT M7 . . 2.000 3.457 2.753 4.668 2.668 7 10 [******+**-] 1
45 1 3 DG H3' 1 3 DG H8 . . 2.000 3.178 2.878 3.802 1.802 9 10 [-*******+*] 1
46 1 3 DG H4' 1 3 DG H8 . . 2.000 4.883 4.726 5.011 3.011 7 10 [**-***+***] 1
47 1 3 DG H4' 1 4 DT H6 . . 2.000 4.902 4.134 5.596 3.596 4 10 [-**+******] 1
48 1 3 DG H4' 2 3 DG H1 . . 2.000 5.143 4.775 5.470 3.470 9 10 [****-***+*] 1
49 1 3 DG Q5' 1 3 DG H8 . . 2.000 4.218 2.822 4.833 2.833 8 10 [*******+*-] 1
50 1 3 DG H8 2 4 DT M7 . . 2.000 5.067 3.065 6.083 4.083 5 10 [****+*-***] 1
51 1 4 DT H1' 1 4 DT H6 . . 2.000 3.447 2.333 3.752 1.752 10 8 "[-** .****+]" 1
52 1 4 DT H1' 1 6 DT H3 . . 2.000 3.977 3.324 4.687 2.687 10 10 [*****-***+] 1
53 1 4 DT Q2' 1 4 DT H6 . . 2.000 2.446 2.325 2.689 0.689 4 2 "[ +. - 1]" 1
54 1 4 DT H3' 1 4 DT H6 . . 2.000 4.001 3.519 4.464 2.464 4 10 [-**+******] 1
55 1 4 DT M7 2 3 DG H1 . . 2.000 4.648 3.605 5.382 3.382 4 10 [***+*****-] 1
56 1 4 DT M7 2 3 DG Q2 . . 2.000 3.064 2.417 4.270 2.270 4 6 "[- +**** 1]" 1
57 1 5 DT H1' 1 5 DT H6 . . 2.000 3.753 3.729 3.779 1.779 5 10 [*-**+*****] 1
58 1 5 DT Q2' 1 5 DT H4' . . 2.000 3.452 3.350 3.512 1.512 4 10 [*-*+******] 1
59 1 5 DT Q2' 1 5 DT H6 . . 2.000 2.139 2.089 2.213 0.213 10 0 "[ . 1]" 1
60 1 5 DT H3' 1 5 DT H6 . . 2.000 4.152 3.915 4.355 2.355 8 10 [****-**+**] 1
61 1 5 DT H4' 1 5 DT H6 . . 2.000 4.715 4.505 5.108 3.108 8 10 [*-*****+**] 1
62 1 5 DT Q5' 1 5 DT H6 . . 2.000 3.175 2.632 3.726 1.726 8 10 [***-***+**] 1
63 1 6 DT H1' 1 6 DT Q2' . . 2.000 2.286 2.160 2.361 0.361 1 0 "[ . 1]" 1
64 1 6 DT H1' 1 6 DT H3 . . 2.000 4.564 4.478 4.640 2.640 7 10 [******+**-] 1
65 1 6 DT H1' 1 6 DT H4' . . 2.000 2.976 2.661 3.462 1.462 6 10 [*****+***-] 1
66 1 6 DT H1' 1 6 DT H6 . . 2.000 3.708 3.624 3.783 1.783 8 10 [-******+**] 1
67 1 6 DT H1' 1 7 DC H6 . . 3.000 5.261 4.084 5.794 2.794 8 10 [-******+**] 1
68 1 6 DT H1' 2 2 DC Q4 . . 3.000 3.160 2.965 3.538 0.538 5 1 "[ + 1]" 1
69 1 6 DT Q2' 1 6 DT H6 . . 2.000 2.547 2.075 2.909 0.909 3 6 "[ *+ .*- **]" 1
70 1 6 DT Q2' 1 6 DT M7 . . 2.000 4.019 3.744 4.315 2.315 10 10 [*******-*+] 1
71 1 6 DT Q2' 1 7 DC H6 . . 3.000 3.932 3.062 5.035 2.035 1 8 "[+****-** 1]" 1
72 1 6 DT H3 2 2 DC H5 . . 3.000 3.280 2.945 3.571 0.571 3 1 "[ + . 1]" 1
73 1 6 DT H3 2 2 DC H6 . . 3.000 4.797 4.334 5.225 2.225 5 10 [****+***-*] 1
74 1 6 DT H3 2 3 DG H1 . . 2.000 2.430 2.274 2.607 0.607 9 3 "[ - . +*]" 1
75 1 6 DT H4' 1 6 DT H6 . . 2.000 4.544 4.090 5.280 3.280 1 10 [+*-*******] 1
76 1 6 DT Q5' 1 6 DT H6 . . 2.000 3.400 2.352 5.171 3.171 1 7 "[+* ** *-*]" 1
77 1 7 DC H1' 1 7 DC H6 . . 2.000 3.751 3.738 3.784 1.784 8 10 [*******+-*] 1
78 1 7 DC H1' 1 8 DG H4' . . 2.000 3.868 3.586 4.244 2.244 8 10 [-******+**] 1
79 1 7 DC H1' 1 8 DG Q5' . . 2.000 2.251 2.051 2.594 0.594 8 1 "[ . + 1]" 1
80 1 7 DC H1' 1 8 DG H8 . . 2.000 4.782 4.463 4.963 2.963 9 10 [***-****+*] 1
81 1 7 DC Q2' 1 7 DC H6 . . 2.000 2.150 2.055 2.278 0.278 9 0 "[ . 1]" 1
82 1 7 DC Q2' 1 8 DG Q2' . . 2.000 3.591 3.286 3.826 1.826 8 10 [-******+**] 1
83 1 7 DC Q2' 1 8 DG H4' . . 2.000 4.062 3.945 4.243 2.243 6 10 [*****+*-**] 1
84 1 7 DC Q2' 1 8 DG H8 . . 2.000 2.596 2.469 2.726 0.726 6 7 "[-* .+****]" 1
85 1 7 DC H3' 1 7 DC H6 . . 2.000 3.540 3.182 3.958 1.958 3 10 [**+*-*****] 1
86 1 7 DC H4' 1 7 DC H6 . . 2.000 4.623 4.399 4.917 2.917 4 10 [*-*+******] 1
87 1 7 DC Q4 1 8 DG H1 . . 2.000 2.843 2.751 2.984 0.984 1 10 [+*****-***] 1
88 1 7 DC Q4 1 8 DG Q2 . . 2.000 2.372 2.212 2.590 0.590 1 1 "[+ . 1]" 1
89 1 7 DC Q4 2 1 DT H1' . . 3.000 3.501 3.201 3.883 0.883 3 5 "[-*+** 1]" 1
90 1 7 DC H5 1 8 DG H1 . . 2.000 3.351 3.085 3.726 1.726 4 10 [***+**-***] 1
91 1 7 DC H5 2 1 DT H3 . . 3.000 3.377 2.922 4.037 1.037 3 4 "[ *+-* 1]" 1
92 1 7 DC Q5' 1 7 DC H6 . . 2.000 3.260 2.103 4.490 2.490 10 7 "[ -*** **+]" 1
93 1 7 DC H6 1 8 DG Q5' . . 2.000 5.524 5.349 5.671 3.671 8 10 [*******+-*] 1
94 1 7 DC H6 1 8 DG H8 . . 2.000 5.204 4.812 5.714 3.714 10 10 [**-******+] 1
95 1 7 DC H6 2 1 DT H3 . . 3.000 4.800 4.118 5.474 2.474 5 10 [****+-****] 1
96 1 8 DG H1 2 1 DT H3 . . 2.000 2.520 2.372 2.742 0.742 7 6 "[ *-.*+ **]" 1
97 1 8 DG H1 2 8 DG H1' . . 2.000 4.439 4.257 4.690 2.690 7 10 [******+*-*] 1
98 1 8 DG H1 2 8 DG H4' . . 2.000 5.158 4.685 5.404 3.404 8 10 [-******+**] 1
99 1 8 DG H1 2 9 DT M7 . . 2.000 4.093 3.483 4.555 2.555 3 10 [**+**-****] 1
100 1 8 DG H1' 1 8 DG H8 . . 2.000 3.867 3.842 3.883 1.883 4 10 [***+*****-] 1
101 1 8 DG H1' 1 9 DT H6 . . 2.000 3.628 3.322 3.748 1.748 8 10 [*****-*+**] 1
102 1 8 DG H1' 1 9 DT M7 . . 2.000 4.222 2.239 4.915 2.915 8 9 "[ ****-*+**]" 1
103 1 8 DG H1' 2 8 DG H1 . . 2.000 4.364 4.168 4.585 2.585 5 10 [****+-****] 1
104 1 8 DG H1' 2 8 DG Q2 . . 2.000 2.265 2.131 2.491 0.491 6 0 "[ . 1]" 1
105 1 8 DG Q2' 1 8 DG H8 . . 2.000 2.211 2.089 2.363 0.363 8 0 "[ . 1]" 1
106 1 8 DG Q2' 1 9 DT M7 . . 2.000 4.664 2.653 5.229 3.229 3 10 [-*+*******] 1
107 1 8 DG Q2 2 8 DG H1' . . 2.000 2.052 1.881 2.249 0.249 6 0 "[ . 1]" 1
108 1 8 DG Q2 2 9 DT M7 . . 2.000 2.825 2.429 3.161 1.161 4 7 "[*-*+*** 1]" 1
109 1 8 DG H4' 1 8 DG H8 . . 2.000 5.058 4.819 5.309 3.309 7 10 [**-***+***] 1
110 1 8 DG H4' 1 9 DT H6 . . 2.000 5.392 4.985 5.865 3.865 8 10 [-******+**] 1
111 1 8 DG H4' 2 8 DG H1 . . 2.000 4.495 3.701 5.043 3.043 8 10 [*****-*+**] 1
112 1 8 DG Q5' 1 8 DG H8 . . 2.000 4.477 4.252 4.821 2.821 7 10 [******+*-*] 1
113 1 9 DT H1' 1 9 DT H6 . . 2.000 2.643 2.297 3.674 1.674 1 4 "[+ .** -1]" 1
114 1 9 DT Q2' 1 9 DT H6 . . 2.000 2.589 2.212 2.799 0.799 3 7 "[**+*- * *]" 1
115 1 9 DT H3' 1 9 DT H6 . . 2.000 4.511 4.271 4.773 2.773 6 10 [-****+****] 1
116 1 9 DT M7 2 8 DG H1 . . 2.000 4.692 3.678 5.641 3.641 8 10 [*-*****+**] 1
117 1 9 DT M7 2 8 DG Q2 . . 2.000 3.973 2.787 5.010 3.010 8 10 [-******+**] 1
118 1 9 DT M7 2 8 DG H8 . . 2.000 4.342 3.370 5.821 3.821 1 10 [+*-*******] 1
119 1 10 DT H1' 1 10 DT H6 . . 2.000 3.471 2.345 3.776 1.776 8 8 "[* **-*+**]" 1
120 1 10 DT Q2' 1 10 DT H6 . . 2.000 2.213 2.025 2.586 0.586 3 2 "[ -+ . 1]" 1
121 1 10 DT H3' 1 10 DT H6 . . 2.000 4.008 2.657 4.369 2.369 3 10 [**+**-****] 1
122 1 10 DT H4' 1 10 DT H6 . . 2.000 4.803 4.580 5.030 3.030 3 10 [**+*****-*] 1
123 1 10 DT Q5' 1 10 DT H6 . . 2.000 3.912 2.563 5.504 3.504 2 10 [*+******-*] 1
124 2 1 DT H1' 2 1 DT H4' . . 2.000 2.931 2.519 3.496 1.496 8 10 [****-**+**] 1
125 2 1 DT H1' 2 1 DT H6 . . 2.000 3.715 3.659 3.749 1.749 5 10 [****+-****] 1
126 2 1 DT H1' 2 2 DC H6 . . 3.000 5.353 5.013 5.665 2.665 1 10 [+-********] 1
127 2 1 DT Q2' 2 1 DT H6 . . 2.000 2.540 2.249 3.007 1.007 6 6 "[ ** .+* *-]" 1
128 2 1 DT Q2' 2 1 DT M7 . . 2.000 4.001 3.809 4.430 2.430 6 10 [*-***+****] 1
129 2 1 DT Q2' 2 2 DC H6 . . 3.000 3.692 2.778 4.309 1.309 8 7 "[***** + -]" 1
130 2 1 DT H3 2 9 DT H1' . . 2.000 4.120 3.227 5.200 3.200 6 10 [*-***+****] 1
131 2 1 DT H4' 2 1 DT H6 . . 2.000 4.438 4.158 4.680 2.680 5 10 [****+*-***] 1
132 2 1 DT Q5' 2 1 DT H6 . . 2.000 2.999 2.090 3.825 1.825 5 7 "[***-+ **]" 1
133 2 2 DC H1' 2 2 DC H6 . . 2.000 3.753 3.725 3.780 1.780 7 10 [-*****+***] 1
134 2 2 DC H1' 2 3 DG H8 . . 2.000 5.049 4.832 5.266 3.266 6 10 [****-+****] 1
135 2 2 DC Q2' 2 2 DC H6 . . 2.000 2.242 2.154 2.341 0.341 1 0 "[ . 1]" 1
136 2 2 DC Q2' 2 3 DG H8 . . 2.000 2.657 2.544 2.806 0.806 8 10 [****-**+**] 1
137 2 2 DC H3' 2 2 DC H6 . . 2.000 3.699 3.099 4.006 2.006 2 10 [*+*******-] 1
138 2 2 DC H4' 2 2 DC H6 . . 2.000 4.614 4.437 4.868 2.868 7 10 [***-**+***] 1
139 2 2 DC Q4 2 3 DG H1 . . 2.000 2.702 2.406 2.993 0.993 8 9 "[***** -+**]" 1
140 2 2 DC Q4 2 3 DG Q2 . . 2.000 2.421 2.174 2.700 0.700 5 3 "[ *+ -]" 1
141 2 2 DC H5 2 3 DG H1 . . 2.000 3.253 3.010 3.709 1.709 5 10 [****+*-***] 1
142 2 2 DC Q5' 2 2 DC H6 . . 2.000 3.736 2.179 4.725 2.725 7 9 "[*** -*+***]" 1
143 2 2 DC H6 2 3 DG H8 . . 2.000 5.352 5.061 5.680 3.680 10 10 [*****-***+] 1
144 2 3 DG H1' 2 3 DG H8 . . 2.000 3.871 3.852 3.888 1.888 4 10 [***+*****-] 1
145 2 3 DG H1' 2 4 DT H6 . . 2.000 3.696 3.495 4.000 2.000 6 10 [*-***+****] 1
146 2 3 DG H1' 2 4 DT M7 . . 2.000 2.992 2.097 4.807 2.807 8 3 "[ .-*+ 1]" 1
147 2 3 DG Q2' 2 3 DG H8 . . 2.000 2.460 2.346 2.588 0.588 8 3 "[ *- . + 1]" 1
148 2 3 DG Q2' 2 4 DT M7 . . 2.000 3.133 2.084 5.336 3.336 7 3 "[ .*+- 1]" 1
149 2 3 DG H3' 2 3 DG H8 . . 2.000 2.543 2.150 3.031 1.031 10 6 "[* **- *+]" 1
150 2 3 DG H4' 2 3 DG H8 . . 2.000 4.703 4.475 4.927 2.927 9 10 [*******-+*] 1
151 2 3 DG H4' 2 4 DT H6 . . 2.000 3.758 2.747 5.227 3.227 8 10 [-******+**] 1
152 2 3 DG Q5' 2 3 DG H8 . . 2.000 4.210 3.919 4.660 2.660 6 10 [*****+*-**] 1
153 2 4 DT H1' 2 4 DT H6 . . 2.000 3.303 2.327 3.728 1.728 10 7 "[-**** *+]" 1
154 2 4 DT H1' 2 6 DT H3 . . 2.000 4.739 3.654 5.638 3.638 7 10 [-*****+***] 1
155 2 4 DT Q2' 2 4 DT H6 . . 2.000 2.652 2.456 3.059 1.059 6 6 "[ * -.+***1]" 1
156 2 4 DT H3' 2 4 DT H6 . . 2.000 4.229 3.420 4.980 2.980 6 10 [*****+**-*] 1
157 2 5 DT H1' 2 5 DT H6 . . 2.000 3.741 3.684 3.772 1.772 9 10 [*-******+*] 1
158 2 5 DT Q2' 2 5 DT H6 . . 2.000 2.126 2.023 2.294 0.294 7 0 "[ . 1]" 1
159 2 5 DT H3' 2 5 DT H6 . . 2.000 4.219 4.048 4.350 2.350 8 10 [***-***+**] 1
160 2 5 DT H4' 2 5 DT H6 . . 2.000 4.857 4.596 5.152 3.152 8 10 [*-*****+**] 1
161 2 6 DT H1' 2 6 DT H3 . . 2.000 4.601 4.522 4.715 2.715 9 10 [**-*****+*] 1
162 2 6 DT H1' 2 6 DT H6 . . 2.000 3.684 3.568 3.795 1.795 8 10 [***-***+**] 1
163 2 6 DT H1' 2 7 DC H6 . . 3.000 5.378 5.140 5.606 2.606 8 10 [**-****+**] 1
164 2 6 DT Q2' 2 6 DT H3 . . 2.000 4.804 4.227 5.249 3.249 7 10 [******+*-*] 1
165 2 6 DT Q2' 2 6 DT H6 . . 2.000 2.754 2.171 3.423 1.423 5 6 "[* *+ - **]" 1
166 2 6 DT Q2' 2 6 DT M7 . . 2.000 4.088 3.726 4.560 2.560 4 10 [**-+******] 1
167 2 6 DT Q2' 2 7 DC H6 . . 3.000 3.810 3.159 4.893 1.893 2 5 "[ +* - **]" 1
168 2 6 DT H4' 2 6 DT H6 . . 2.000 4.294 3.846 4.750 2.750 2 10 [*+**-*****] 1
169 2 7 DC H1' 2 7 DC H6 . . 2.000 3.737 3.711 3.756 1.756 10 10 [*-*******+] 1
170 2 7 DC H1' 2 8 DG H4' . . 2.000 3.699 3.541 3.808 1.808 1 10 [+******-**] 1
171 2 7 DC H1' 2 8 DG Q5' . . 2.000 2.303 2.112 2.679 0.679 1 2 "[+ . -]" 1
172 2 7 DC H1' 2 8 DG H8 . . 2.000 4.564 4.410 4.770 2.770 9 10 [******-*+*] 1
173 2 7 DC Q2' 2 7 DC H6 . . 2.000 2.196 2.101 2.405 0.405 8 0 "[ . 1]" 1
174 2 7 DC Q2' 2 8 DG Q2' . . 2.000 3.765 3.588 3.858 1.858 8 10 [-******+**] 1
175 2 7 DC Q2' 2 8 DG H4' . . 2.000 4.027 3.855 4.201 2.201 7 10 [******+-**] 1
176 2 7 DC Q2' 2 8 DG H8 . . 2.000 2.461 2.374 2.552 0.552 9 2 "[ . +-]" 1
177 2 7 DC H3' 2 7 DC H6 . . 2.000 3.636 3.145 3.929 1.929 5 10 [****+**-**] 1
178 2 7 DC H4' 2 7 DC H6 . . 2.000 4.461 4.346 4.586 2.586 1 10 [+**-******] 1
179 2 7 DC Q4 2 8 DG H1 . . 2.000 2.990 2.773 3.233 1.233 10 10 [****-****+] 1
180 2 7 DC Q4 2 8 DG Q2 . . 2.000 2.533 2.346 2.723 0.723 5 7 "[****+-* 1]" 1
181 2 7 DC Q5' 2 7 DC H6 . . 2.000 3.470 3.118 3.851 1.851 6 10 [***-*+****] 1
182 2 7 DC H6 2 8 DG Q5' . . 2.000 5.584 5.408 6.061 4.061 1 10 [+******-**] 1
183 2 7 DC H6 2 8 DG H8 . . 2.000 5.161 4.637 5.491 3.491 8 10 [****-**+**] 1
184 2 8 DG H1' 2 8 DG H8 . . 2.000 3.884 3.840 3.909 1.909 8 10 [-******+**] 1
185 2 8 DG H1' 2 9 DT H6 . . 2.000 3.600 3.451 3.797 1.797 6 10 [*****+*-**] 1
186 2 8 DG H1' 2 9 DT M7 . . 2.000 2.648 2.128 3.311 1.311 3 5 "[ *+** - 1]" 1
187 2 8 DG Q2' 2 8 DG H8 . . 2.000 2.374 2.288 2.570 0.570 8 1 "[ . + 1]" 1
188 2 8 DG Q2' 2 9 DT M7 . . 2.000 2.700 2.176 3.385 1.385 3 6 "[**+** - 1]" 1
189 2 8 DG H3' 2 8 DG H8 . . 2.000 3.173 2.551 3.599 1.599 10 10 [-********+] 1
190 2 8 DG H4' 2 8 DG H8 . . 2.000 4.856 4.728 5.013 3.013 7 10 [*-****+***] 1
191 2 8 DG H4' 2 9 DT H6 . . 2.000 4.453 2.776 5.425 3.425 10 10 [*****-***+] 1
192 2 9 DT H1' 2 9 DT H6 . . 2.000 3.718 3.705 3.739 1.739 9 10 [*******-+*] 1
193 2 9 DT Q2' 2 9 DT H6 . . 2.000 2.435 2.261 2.600 0.600 6 4 "[ ** .+- 1]" 1
194 2 9 DT H3' 2 9 DT H6 . . 2.000 3.985 3.777 4.213 2.213 4 10 [***+****-*] 1
195 2 10 DT H1' 2 10 DT H6 . . 2.000 3.710 3.526 3.765 1.765 2 10 [*+*-******] 1
196 2 10 DT Q2' 2 10 DT H6 . . 2.000 2.094 1.992 2.209 0.209 7 0 "[ . 1]" 1
197 2 10 DT H3' 2 10 DT H6 . . 2.000 4.037 3.229 4.310 2.310 7 10 [-*****+***] 1
198 2 10 DT H4' 2 10 DT H6 . . 2.000 4.844 4.572 5.280 3.280 4 10 [**-+******] 1
199 2 10 DT Q5' 2 10 DT H6 . . 2.000 3.686 2.204 5.053 3.053 4 9 "[*- +******]" 1
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