NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
537190 |
2lbi   |
17562 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbi
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 301
_Distance_constraint_stats_list.Viol_count 236
_Distance_constraint_stats_list.Viol_total 101.468
_Distance_constraint_stats_list.Viol_max 1.990
_Distance_constraint_stats_list.Viol_rms 0.3953
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3371
_Distance_constraint_stats_list.Viol_average_violations_only 0.4299
_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 6.496 1.505 1 1 [+]
1 2 DC 13.019 1.505 1 1 [+]
1 3 DT 8.060 1.498 1 1 [+]
1 4 DA 2.889 0.873 1 1 [+]
1 5 DG 3.598 0.549 1 1 [+]
1 6 DC 4.247 0.946 1 1 [+]
1 7 DG 6.002 1.990 1 1 [+]
1 8 DA 6.196 1.495 1 1 [+]
1 9 DG 5.165 0.739 1 1 [+]
1 10 DT 6.973 1.693 1 1 [+]
1 11 DC 6.073 1.693 1 1 [+]
1 12 DC 3.598 1.271 1 1 [+]
2 1 DG 5.043 1.492 1 1 [+]
2 2 DG 3.391 1.492 1 1 [+]
2 3 DA 3.811 0.714 1 1 [+]
2 4 DC 3.358 0.714 1 1 [+]
2 5 DT 4.398 1.237 1 1 [+]
2 6 DC 1.506 0.311 1 0 "[ ]"
2 7 DG 4.054 0.640 1 1 [+]
2 8 DC 10.955 1.571 1 1 [+]
2 9 DT 5.134 1.571 1 1 [+]
2 10 DA 1.720 0.532 1 1 [+]
2 11 DG 6.905 1.618 1 1 [+]
2 12 DC 4.886 1.618 1 1 [+]
3 1 HND 17.382 1.990 1 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 Q2' . . 2.050 2.241 2.241 2.241 0.191 1 0 "[ ]" 1
2 1 1 DG H1' 1 1 DG H3' . . 3.810 3.948 3.948 3.948 0.138 1 0 "[ ]" 1
3 1 1 DG H1' 1 1 DG H8 . . 3.510 3.897 3.897 3.897 0.387 1 0 "[ ]" 1
4 1 1 DG H1' 1 2 DC H5 . . 3.380 4.885 4.885 4.885 1.505 1 1 [+] 1
5 1 1 DG H1' 1 2 DC H6 . . 2.490 3.760 3.760 3.760 1.270 1 1 [+] 1
6 1 1 DG Q2' 1 1 DG H3' . . 1.880 2.216 2.216 2.216 0.336 1 0 "[ ]" 1
7 1 1 DG Q2' 1 1 DG H8 . . 2.110 2.425 2.425 2.425 0.315 1 0 "[ ]" 1
8 1 1 DG Q2' 1 2 DC H5 . . 3.230 3.379 3.379 3.379 0.149 1 0 "[ ]" 1
9 1 1 DG Q2' 1 2 DC H6 . . 2.270 2.351 2.351 2.351 0.081 1 0 "[ ]" 1
10 1 1 DG H3' 1 1 DG H8 . . 3.740 4.091 4.091 4.091 0.351 1 0 "[ ]" 1
11 1 1 DG H3' 1 2 DC H5 . . 4.910 5.889 5.889 5.889 0.979 1 1 [+] 1
12 1 1 DG H8 1 2 DC H5 . . 3.770 4.141 4.141 4.141 0.371 1 0 "[ ]" 1
13 1 1 DG H8 1 2 DC H6 . . 4.500 4.923 4.923 4.923 0.423 1 0 "[ ]" 1
14 1 2 DC H1' 1 2 DC Q2' . . 1.780 2.283 2.283 2.283 0.503 1 1 [+] 1
15 1 2 DC H1' 1 2 DC H3' . . 3.500 3.827 3.827 3.827 0.327 1 0 "[ ]" 1
16 1 2 DC H1' 1 2 DC H6 . . 2.710 3.729 3.729 3.729 1.019 1 1 [+] 1
17 1 2 DC H1' 1 3 DT H6 . . 3.760 4.159 4.159 4.159 0.399 1 0 "[ ]" 1
18 1 2 DC H1' 1 3 DT M7 . . 2.910 4.408 4.408 4.408 1.498 1 1 [+] 1
19 1 2 DC Q2' 1 2 DC H3' . . 2.120 2.202 2.202 2.202 0.082 1 0 "[ ]" 1
20 1 2 DC Q2' 1 2 DC H5 . . 4.180 4.290 4.290 4.290 0.110 1 0 "[ ]" 1
21 1 2 DC Q2' 1 2 DC H6 . . 2.150 2.243 2.243 2.243 0.093 1 0 "[ ]" 1
22 1 2 DC Q2' 1 3 DT H6 . . 2.150 2.275 2.275 2.275 0.125 1 0 "[ ]" 1
23 1 2 DC Q2' 1 3 DT M7 . . 2.250 2.392 2.392 2.392 0.142 1 0 "[ ]" 1
24 1 2 DC H3' 1 2 DC H6 . . 2.760 3.997 3.997 3.997 1.237 1 1 [+] 1
25 1 2 DC H3' 1 3 DT H6 . . 3.340 4.803 4.803 4.803 1.463 1 1 [+] 1
26 1 2 DC H3' 1 3 DT M7 . . 2.950 4.194 4.194 4.194 1.244 1 1 [+] 1
27 1 2 DC H5 1 3 DT M7 . . 3.760 3.096 3.096 3.096 . 0 0 "[ ]" 1
28 1 2 DC H6 1 3 DT M7 . . 3.060 2.779 2.779 2.779 . 0 0 "[ ]" 1
29 1 3 DT H1' 1 3 DT H2' . . 2.790 3.050 3.050 3.050 0.260 1 0 "[ ]" 1
30 1 3 DT H1' 1 3 DT H2'' . . 2.200 2.364 2.364 2.364 0.164 1 0 "[ ]" 1
31 1 3 DT H1' 1 3 DT H3' . . 2.960 3.823 3.823 3.823 0.863 1 1 [+] 1
32 1 3 DT H1' 1 4 DA H8 . . 3.510 3.820 3.820 3.820 0.310 1 0 "[ ]" 1
33 1 3 DT H2' 1 3 DT H3' . . 2.000 2.313 2.313 2.313 0.313 1 0 "[ ]" 1
34 1 3 DT H2' 1 4 DA H8 . . 3.000 3.152 3.152 3.152 0.152 1 0 "[ ]" 1
35 1 3 DT H2'' 1 3 DT H3' . . 2.340 2.784 2.784 2.784 0.444 1 0 "[ ]" 1
36 1 3 DT H2'' 1 4 DA H8 . . 2.340 2.452 2.452 2.452 0.112 1 0 "[ ]" 1
37 1 3 DT H3' 1 3 DT H6 . . 3.610 4.036 4.036 4.036 0.426 1 0 "[ ]" 1
38 1 3 DT H6 1 3 DT M7 . . 2.100 2.244 2.244 2.244 0.144 1 0 "[ ]" 1
39 1 4 DA H1' 1 4 DA Q2' . . 2.000 2.267 2.267 2.267 0.267 1 0 "[ ]" 1
40 1 4 DA H1' 1 4 DA H3' . . 3.500 3.867 3.867 3.867 0.367 1 0 "[ ]" 1
41 1 4 DA H1' 1 4 DA H8 . . 3.000 3.873 3.873 3.873 0.873 1 1 [+] 1
42 1 4 DA Q2' 1 5 DG H8 . . 2.370 2.244 2.244 2.244 . 0 0 "[ ]" 1
43 1 4 DA H3' 1 5 DG H8 . . 4.280 4.592 4.592 4.592 0.312 1 0 "[ ]" 1
44 1 4 DA H8 1 5 DG H8 . . 4.760 5.255 5.255 5.255 0.495 1 0 "[ ]" 1
45 1 5 DG H1' 1 5 DG Q2' . . 2.320 2.277 2.277 2.277 . 0 0 "[ ]" 1
46 1 5 DG H1' 1 5 DG H3' . . 3.500 3.891 3.891 3.891 0.391 1 0 "[ ]" 1
47 1 5 DG H1' 1 5 DG H8 . . 3.730 3.902 3.902 3.902 0.172 1 0 "[ ]" 1
48 1 5 DG H1' 1 6 DC H5 . . 4.130 4.666 4.666 4.666 0.536 1 1 [+] 1
49 1 5 DG H1' 1 6 DC H6 . . 3.750 3.989 3.989 3.989 0.239 1 0 "[ ]" 1
50 1 5 DG Q2' 1 5 DG H3' . . 2.150 2.201 2.201 2.201 0.051 1 0 "[ ]" 1
51 1 5 DG Q2' 1 6 DC H5 . . 3.360 2.743 2.743 2.743 . 0 0 "[ ]" 1
52 1 5 DG Q2' 1 6 DC H6 . . 2.540 2.329 2.329 2.329 . 0 0 "[ ]" 1
53 1 5 DG H3' 1 5 DG H8 . . 3.960 4.245 4.245 4.245 0.285 1 0 "[ ]" 1
54 1 5 DG H3' 1 6 DC H5 . . 4.500 5.049 5.049 5.049 0.549 1 1 [+] 1
55 1 5 DG H8 1 6 DC H5 . . 4.000 4.402 4.402 4.402 0.402 1 0 "[ ]" 1
56 1 5 DG H8 1 6 DC H6 . . 5.500 5.667 5.667 5.667 0.167 1 0 "[ ]" 1
57 1 6 DC H1' 1 6 DC Q2' . . 2.260 2.267 2.267 2.267 0.007 1 0 "[ ]" 1
58 1 6 DC H1' 1 6 DC H3' . . 3.550 3.839 3.839 3.839 0.289 1 0 "[ ]" 1
59 1 6 DC H1' 1 6 DC H6 . . 3.510 3.757 3.757 3.757 0.247 1 0 "[ ]" 1
60 1 6 DC Q2' 1 6 DC H3' . . 2.230 2.213 2.213 2.213 . 0 0 "[ ]" 1
61 1 6 DC Q2' 1 6 DC H5 . . 3.370 4.316 4.316 4.316 0.946 1 1 [+] 1
62 1 6 DC Q2' 1 6 DC H6 . . 1.920 2.219 2.219 2.219 0.299 1 0 "[ ]" 1
63 1 6 DC Q2' 1 7 DG H8 . . 4.110 3.778 3.778 3.778 . 0 0 "[ ]" 1
64 1 6 DC H3' 1 6 DC H6 . . 3.470 4.036 4.036 4.036 0.566 1 1 [+] 1
65 1 7 DG H1' 1 7 DG H2' . . 2.830 2.974 2.974 2.974 0.144 1 0 "[ ]" 1
66 1 7 DG H1' 1 7 DG H2'' . . 2.090 2.293 2.293 2.293 0.203 1 0 "[ ]" 1
67 1 7 DG H1' 1 7 DG H3' . . 3.720 4.033 4.033 4.033 0.313 1 0 "[ ]" 1
68 1 7 DG H1' 1 7 DG H8 . . 3.120 3.382 3.382 3.382 0.262 1 0 "[ ]" 1
69 1 7 DG H1' 1 8 DA H8 . . 3.150 2.915 2.915 2.915 . 0 0 "[ ]" 1
70 1 7 DG H1' 3 1 HND H3 . . 4.460 4.469 4.469 4.469 0.009 1 0 "[ ]" 1
71 1 7 DG H2' 1 7 DG H3' . . 2.080 2.319 2.319 2.319 0.239 1 0 "[ ]" 1
72 1 7 DG H2' 1 7 DG H8 . . 2.060 2.293 2.293 2.293 0.233 1 0 "[ ]" 1
73 1 7 DG H2'' 1 7 DG H3' . . 2.410 2.770 2.770 2.770 0.360 1 0 "[ ]" 1
74 1 7 DG H2'' 1 7 DG H8 . . 3.350 3.092 3.092 3.092 . 0 0 "[ ]" 1
75 1 7 DG H3' 1 7 DG H8 . . 4.010 4.607 4.607 4.607 0.597 1 1 [+] 1
76 1 7 DG H3' 1 8 DA H8 . . 5.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
77 1 7 DG H4' 3 1 HND H6 . . 2.890 4.880 4.880 4.880 1.990 1 1 [+] 1
78 1 7 DG H4' 3 1 HND H7 . . 4.290 5.466 5.466 5.466 1.176 1 1 [+] 1
79 1 7 DG H4' 3 1 HND H8 . . 3.570 3.903 3.903 3.903 0.333 1 0 "[ ]" 1
80 1 7 DG H8 1 8 DA H8 . . 5.380 5.520 5.520 5.520 0.140 1 0 "[ ]" 1
81 1 8 DA H1' 1 8 DA Q2' . . 2.050 2.265 2.265 2.265 0.215 1 0 "[ ]" 1
82 1 8 DA H1' 1 8 DA H3' . . 3.500 3.916 3.916 3.916 0.416 1 0 "[ ]" 1
83 1 8 DA H1' 1 8 DA H8 . . 3.500 3.902 3.902 3.902 0.402 1 0 "[ ]" 1
84 1 8 DA H1' 1 9 DG H8 . . 3.170 3.420 3.420 3.420 0.250 1 0 "[ ]" 1
85 1 8 DA H1' 3 1 HND H2 . . 5.300 5.842 5.842 5.842 0.542 1 1 [+] 1
86 1 8 DA H1' 3 1 HND H2A . . 6.350 6.724 6.724 6.724 0.374 1 0 "[ ]" 1
87 1 8 DA H1' 3 1 HND H3 . . 4.080 4.427 4.427 4.427 0.347 1 0 "[ ]" 1
88 1 8 DA Q2' 1 8 DA H3' . . 2.580 2.186 2.186 2.186 . 0 0 "[ ]" 1
89 1 8 DA Q2' 1 8 DA H8 . . 2.270 2.487 2.487 2.487 0.217 1 0 "[ ]" 1
90 1 8 DA Q2' 1 9 DG H8 . . 2.060 2.018 2.018 2.018 . 0 0 "[ ]" 1
91 1 8 DA H3' 1 8 DA H8 . . 3.810 4.058 4.058 4.058 0.248 1 0 "[ ]" 1
92 1 8 DA H3' 1 9 DG H8 . . 4.000 4.739 4.739 4.739 0.739 1 1 [+] 1
93 1 8 DA H4' 3 1 HND H3 . . 4.500 5.077 5.077 5.077 0.577 1 1 [+] 1
94 1 8 DA H4' 3 1 HND H5 . . 4.500 5.995 5.995 5.995 1.495 1 1 [+] 1
95 1 8 DA H8 1 9 DG H8 . . 4.500 4.734 4.734 4.734 0.234 1 0 "[ ]" 1
96 1 9 DG H1' 1 9 DG H2' . . 2.960 3.049 3.049 3.049 0.089 1 0 "[ ]" 1
97 1 9 DG H1' 1 9 DG H2'' . . 2.270 2.367 2.367 2.367 0.097 1 0 "[ ]" 1
98 1 9 DG H1' 1 9 DG H3' . . 3.500 3.877 3.877 3.877 0.377 1 0 "[ ]" 1
99 1 9 DG H1' 1 9 DG H8 . . 3.490 3.870 3.870 3.870 0.380 1 0 "[ ]" 1
100 1 9 DG H1' 1 10 DT H6 . . 3.580 3.844 3.844 3.844 0.264 1 0 "[ ]" 1
101 1 9 DG H1' 1 10 DT M7 . . 4.350 4.215 4.215 4.215 . 0 0 "[ ]" 1
102 1 9 DG H2' 1 9 DG H8 . . 2.400 2.610 2.610 2.610 0.210 1 0 "[ ]" 1
103 1 9 DG H2' 1 10 DT H6 . . 2.870 3.097 3.097 3.097 0.227 1 0 "[ ]" 1
104 1 9 DG H2' 1 10 DT M7 . . 3.000 2.285 2.285 2.285 . 0 0 "[ ]" 1
105 1 9 DG H2'' 1 9 DG H3' . . 2.460 2.778 2.778 2.778 0.318 1 0 "[ ]" 1
106 1 9 DG H2'' 1 10 DT H6 . . 2.170 2.105 2.105 2.105 . 0 0 "[ ]" 1
107 1 9 DG H2'' 1 10 DT M7 . . 3.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
108 1 9 DG H3' 1 9 DG H8 . . 3.660 4.316 4.316 4.316 0.656 1 1 [+] 1
109 1 9 DG H3' 1 10 DT H6 . . 4.500 4.610 4.610 4.610 0.110 1 0 "[ ]" 1
110 1 9 DG H3' 1 10 DT M7 . . 3.970 4.036 4.036 4.036 0.066 1 0 "[ ]" 1
111 1 9 DG H4' 3 1 HND H5 . . 5.000 4.686 4.686 4.686 . 0 0 "[ ]" 1
112 1 9 DG H4' 3 1 HND H8 . . 4.220 4.912 4.912 4.912 0.692 1 1 [+] 1
113 1 9 DG H8 1 10 DT H6 . . 4.500 4.901 4.901 4.901 0.401 1 0 "[ ]" 1
114 1 9 DG H8 1 10 DT M7 . . 2.800 2.854 2.854 2.854 0.054 1 0 "[ ]" 1
115 1 10 DT H1' 1 10 DT Q2' . . 2.030 2.294 2.294 2.294 0.264 1 0 "[ ]" 1
116 1 10 DT H1' 1 10 DT H3' . . 3.500 3.833 3.833 3.833 0.333 1 0 "[ ]" 1
117 1 10 DT H1' 1 10 DT H6 . . 3.050 3.720 3.720 3.720 0.670 1 1 [+] 1
118 1 10 DT H1' 1 11 DC H6 . . 3.060 3.771 3.771 3.771 0.711 1 1 [+] 1
119 1 10 DT Q2' 1 10 DT H3' . . 2.020 2.184 2.184 2.184 0.164 1 0 "[ ]" 1
120 1 10 DT Q2' 1 10 DT H6 . . 2.040 2.232 2.232 2.232 0.192 1 0 "[ ]" 1
121 1 10 DT Q2' 1 10 DT M7 . . 3.270 3.783 3.783 3.783 0.513 1 1 [+] 1
122 1 10 DT Q2' 1 11 DC H5 . . 3.070 2.735 2.735 2.735 . 0 0 "[ ]" 1
123 1 10 DT Q2' 1 11 DC H6 . . 1.960 2.038 2.038 2.038 0.078 1 0 "[ ]" 1
124 1 10 DT H3' 1 10 DT H6 . . 2.830 4.033 4.033 4.033 1.203 1 1 [+] 1
125 1 10 DT H6 1 10 DT M7 . . 2.370 2.259 2.259 2.259 . 0 0 "[ ]" 1
126 1 10 DT H6 1 11 DC H5 . . 3.630 3.660 3.660 3.660 0.030 1 0 "[ ]" 1
127 1 10 DT H6 1 11 DC H6 . . 3.210 4.903 4.903 4.903 1.693 1 1 [+] 1
128 1 10 DT M7 1 11 DC H5 . . 4.430 3.627 3.627 3.627 . 0 0 "[ ]" 1
129 1 11 DC H1' 1 11 DC Q2' . . 2.050 2.304 2.304 2.304 0.254 1 0 "[ ]" 1
130 1 11 DC H1' 1 11 DC H3' . . 3.610 3.892 3.892 3.892 0.282 1 0 "[ ]" 1
131 1 11 DC H1' 1 11 DC H6 . . 2.640 3.716 3.716 3.716 1.076 1 1 [+] 1
132 1 11 DC H1' 1 12 DC H6 . . 3.500 3.215 3.215 3.215 . 0 0 "[ ]" 1
133 1 11 DC Q2' 1 11 DC H3' . . 2.180 2.181 2.181 2.181 0.001 1 0 "[ ]" 1
134 1 11 DC Q2' 1 11 DC H5 . . 3.690 4.186 4.186 4.186 0.496 1 0 "[ ]" 1
135 1 11 DC Q2' 1 11 DC H6 . . 2.130 2.199 2.199 2.199 0.069 1 0 "[ ]" 1
136 1 11 DC Q2' 1 12 DC H5 . . 3.190 3.129 3.129 3.129 . 0 0 "[ ]" 1
137 1 11 DC Q2' 1 12 DC H6 . . 3.110 2.113 2.113 2.113 . 0 0 "[ ]" 1
138 1 11 DC H3' 1 11 DC H6 . . 2.860 3.919 3.919 3.919 1.059 1 1 [+] 1
139 1 11 DC H3' 1 12 DC H6 . . 4.610 4.871 4.871 4.871 0.261 1 0 "[ ]" 1
140 1 11 DC H6 1 12 DC H5 . . 4.040 4.105 4.105 4.105 0.065 1 0 "[ ]" 1
141 1 12 DC H1' 1 12 DC Q2' . . 2.070 2.196 2.196 2.196 0.126 1 0 "[ ]" 1
142 1 12 DC H1' 1 12 DC H3' . . 3.000 3.879 3.879 3.879 0.879 1 1 [+] 1
143 1 12 DC H1' 1 12 DC H6 . . 3.630 3.687 3.687 3.687 0.057 1 0 "[ ]" 1
144 1 12 DC Q2' 1 12 DC H3' . . 2.170 2.235 2.235 2.235 0.065 1 0 "[ ]" 1
145 1 12 DC Q2' 1 12 DC H5 . . 4.000 4.759 4.759 4.759 0.759 1 1 [+] 1
146 1 12 DC Q2' 1 12 DC H6 . . 1.890 3.161 3.161 3.161 1.271 1 1 [+] 1
147 1 12 DC H3' 1 12 DC H6 . . 2.840 2.955 2.955 2.955 0.115 1 0 "[ ]" 1
148 2 1 DG H1' 2 1 DG Q2' . . 2.010 2.225 2.225 2.225 0.215 1 0 "[ ]" 1
149 2 1 DG H1' 2 1 DG H3' . . 3.000 3.928 3.928 3.928 0.928 1 1 [+] 1
150 2 1 DG H1' 2 1 DG H8 . . 3.000 3.915 3.915 3.915 0.915 1 1 [+] 1
151 2 1 DG H1' 2 2 DG H8 . . 3.500 3.825 3.825 3.825 0.325 1 0 "[ ]" 1
152 2 1 DG Q2' 2 1 DG H3' . . 2.540 2.232 2.232 2.232 . 0 0 "[ ]" 1
153 2 1 DG Q2' 2 1 DG H8 . . 2.250 2.622 2.622 2.622 0.372 1 0 "[ ]" 1
154 2 1 DG Q2' 2 2 DG H8 . . 2.500 2.187 2.187 2.187 . 0 0 "[ ]" 1
155 2 1 DG H3' 2 1 DG H8 . . 3.500 4.296 4.296 4.296 0.796 1 1 [+] 1
156 2 1 DG H3' 2 2 DG H8 . . 3.140 4.632 4.632 4.632 1.492 1 1 [+] 1
157 2 2 DG H1' 2 2 DG Q2' . . 2.240 2.317 2.317 2.317 0.077 1 0 "[ ]" 1
158 2 2 DG H1' 2 2 DG H3' . . 3.790 3.795 3.795 3.795 0.005 1 0 "[ ]" 1
159 2 2 DG H1' 2 2 DG H8 . . 3.760 3.892 3.892 3.892 0.132 1 0 "[ ]" 1
160 2 2 DG H1' 2 3 DA H8 . . 3.560 3.651 3.651 3.651 0.091 1 0 "[ ]" 1
161 2 2 DG Q2' 2 2 DG H3' . . 2.020 2.219 2.219 2.219 0.199 1 0 "[ ]" 1
162 2 2 DG Q2' 2 2 DG H8 . . 3.090 2.329 2.329 2.329 . 0 0 "[ ]" 1
163 2 2 DG H3' 2 2 DG H8 . . 3.930 4.459 4.459 4.459 0.529 1 1 [+] 1
164 2 2 DG H8 2 3 DA H8 . . 5.000 5.541 5.541 5.541 0.541 1 1 [+] 1
165 2 3 DA H1' 2 3 DA H2' . . 2.890 3.019 3.019 3.019 0.129 1 0 "[ ]" 1
166 2 3 DA H1' 2 3 DA H2'' . . 2.300 2.323 2.323 2.323 0.023 1 0 "[ ]" 1
167 2 3 DA H1' 2 3 DA H3' . . 3.500 3.945 3.945 3.945 0.445 1 0 "[ ]" 1
168 2 3 DA H1' 2 3 DA H8 . . 3.850 3.904 3.904 3.904 0.054 1 0 "[ ]" 1
169 2 3 DA H1' 2 4 DC H6 . . 3.720 3.488 3.488 3.488 . 0 0 "[ ]" 1
170 2 3 DA H2' 2 3 DA H3' . . 1.970 2.310 2.310 2.310 0.340 1 0 "[ ]" 1
171 2 3 DA H2' 2 4 DC H5 . . 3.570 3.334 3.334 3.334 . 0 0 "[ ]" 1
172 2 3 DA H2' 2 4 DC H6 . . 3.280 3.376 3.376 3.376 0.096 1 0 "[ ]" 1
173 2 3 DA H2'' 2 3 DA H3' . . 2.250 2.744 2.744 2.744 0.494 1 0 "[ ]" 1
174 2 3 DA H2'' 2 3 DA H8 . . 3.570 3.804 3.804 3.804 0.234 1 0 "[ ]" 1
175 2 3 DA H2'' 2 4 DC H5 . . 3.140 3.458 3.458 3.458 0.318 1 0 "[ ]" 1
176 2 3 DA H2'' 2 4 DC H6 . . 2.360 2.194 2.194 2.194 . 0 0 "[ ]" 1
177 2 3 DA H3' 2 4 DC H6 . . 4.500 4.833 4.833 4.833 0.333 1 0 "[ ]" 1
178 2 3 DA H8 2 4 DC H5 . . 3.910 3.746 3.746 3.746 . 0 0 "[ ]" 1
179 2 3 DA H8 2 4 DC H6 . . 4.140 4.854 4.854 4.854 0.714 1 1 [+] 1
180 2 4 DC H1' 2 4 DC Q2' . . 2.210 2.273 2.273 2.273 0.063 1 0 "[ ]" 1
181 2 4 DC H1' 2 4 DC H3' . . 3.500 3.882 3.882 3.882 0.382 1 0 "[ ]" 1
182 2 4 DC H1' 2 4 DC H6 . . 3.570 3.721 3.721 3.721 0.151 1 0 "[ ]" 1
183 2 4 DC H1' 2 5 DT H6 . . 3.960 3.868 3.868 3.868 . 0 0 "[ ]" 1
184 2 4 DC H1' 2 5 DT M7 . . 4.730 4.342 4.342 4.342 . 0 0 "[ ]" 1
185 2 4 DC Q2' 2 4 DC H3' . . 2.230 2.193 2.193 2.193 . 0 0 "[ ]" 1
186 2 4 DC Q2' 2 4 DC H5 . . 4.210 4.331 4.331 4.331 0.121 1 0 "[ ]" 1
187 2 4 DC Q2' 2 4 DC H6 . . 1.960 2.321 2.321 2.321 0.361 1 0 "[ ]" 1
188 2 4 DC Q2' 2 5 DT H6 . . 2.180 2.147 2.147 2.147 . 0 0 "[ ]" 1
189 2 4 DC Q2' 2 5 DT M7 . . 2.910 2.350 2.350 2.350 . 0 0 "[ ]" 1
190 2 4 DC H3' 2 4 DC H6 . . 3.750 3.895 3.895 3.895 0.145 1 0 "[ ]" 1
191 2 4 DC H3' 2 5 DT H6 . . 4.500 4.730 4.730 4.730 0.230 1 0 "[ ]" 1
192 2 4 DC H3' 2 5 DT M7 . . 3.810 4.172 4.172 4.172 0.362 1 0 "[ ]" 1
193 2 4 DC H5 2 5 DT M7 . . 3.370 3.199 3.199 3.199 . 0 0 "[ ]" 1
194 2 4 DC H6 2 5 DT M7 . . 2.880 2.964 2.964 2.964 0.084 1 0 "[ ]" 1
195 2 5 DT H1' 2 5 DT Q2' . . 2.090 2.264 2.264 2.264 0.174 1 0 "[ ]" 1
196 2 5 DT H1' 2 5 DT H3' . . 3.660 3.853 3.853 3.853 0.193 1 0 "[ ]" 1
197 2 5 DT H1' 2 5 DT H6 . . 3.120 3.719 3.719 3.719 0.599 1 1 [+] 1
198 2 5 DT H1' 2 6 DC H6 . . 4.000 4.311 4.311 4.311 0.311 1 0 "[ ]" 1
199 2 5 DT Q2' 2 5 DT H3' . . 2.060 2.199 2.199 2.199 0.139 1 0 "[ ]" 1
200 2 5 DT Q2' 2 5 DT H6 . . 2.080 2.409 2.409 2.409 0.329 1 0 "[ ]" 1
201 2 5 DT Q2' 2 5 DT M7 . . 2.740 3.977 3.977 3.977 1.237 1 1 [+] 1
202 2 5 DT Q2' 2 6 DC H5 . . 3.300 2.848 2.848 2.848 . 0 0 "[ ]" 1
203 2 5 DT Q2' 2 6 DC H6 . . 2.310 2.148 2.148 2.148 . 0 0 "[ ]" 1
204 2 5 DT H3' 2 5 DT H6 . . 3.500 3.966 3.966 3.966 0.466 1 0 "[ ]" 1
205 2 5 DT H6 2 5 DT M7 . . 2.680 2.257 2.257 2.257 . 0 0 "[ ]" 1
206 2 5 DT H6 2 6 DC H5 . . 3.890 4.164 4.164 4.164 0.274 1 0 "[ ]" 1
207 2 5 DT M7 2 6 DC H5 . . 4.550 4.284 4.284 4.284 . 0 0 "[ ]" 1
208 2 6 DC H1' 2 6 DC Q2' . . 2.260 2.288 2.288 2.288 0.028 1 0 "[ ]" 1
209 2 6 DC H1' 2 6 DC H6 . . 3.700 3.722 3.722 3.722 0.022 1 0 "[ ]" 1
210 2 6 DC H1' 2 7 DG H8 . . 4.650 4.829 4.829 4.829 0.179 1 0 "[ ]" 1
211 2 6 DC Q2' 2 6 DC H5 . . 4.140 4.385 4.385 4.385 0.245 1 0 "[ ]" 1
212 2 6 DC Q2' 2 6 DC H6 . . 2.140 2.394 2.394 2.394 0.254 1 0 "[ ]" 1
213 2 6 DC Q2' 2 7 DG H8 . . 3.240 2.914 2.914 2.914 . 0 0 "[ ]" 1
214 2 6 DC H6 2 7 DG H8 . . 6.500 6.692 6.692 6.692 0.192 1 0 "[ ]" 1
215 2 7 DG H1' 2 7 DG Q2' . . 2.440 2.336 2.336 2.336 . 0 0 "[ ]" 1
216 2 7 DG H1' 2 7 DG H3' . . 3.360 3.691 3.691 3.691 0.331 1 0 "[ ]" 1
217 2 7 DG H1' 2 7 DG H8 . . 3.610 3.789 3.789 3.789 0.179 1 0 "[ ]" 1
218 2 7 DG H1' 2 8 DC H5 . . 3.860 3.266 3.266 3.266 . 0 0 "[ ]" 1
219 2 7 DG H1' 2 8 DC H6 . . 2.770 2.349 2.349 2.349 . 0 0 "[ ]" 1
220 2 7 DG H1' 3 1 HND H1 . . 3.180 3.819 3.819 3.819 0.639 1 1 [+] 1
221 2 7 DG Q2' 2 7 DG H8 . . 2.260 2.226 2.226 2.226 . 0 0 "[ ]" 1
222 2 7 DG Q2' 2 8 DC H5 . . 3.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
223 2 7 DG Q2' 2 8 DC H6 . . 2.310 2.868 2.868 2.868 0.558 1 1 [+] 1
224 2 7 DG H3' 2 7 DG H8 . . 4.280 4.698 4.698 4.698 0.418 1 0 "[ ]" 1
225 2 7 DG H4' 3 1 HND H5A . . 3.500 3.718 3.718 3.718 0.218 1 0 "[ ]" 1
226 2 7 DG H4' 3 1 HND H7 . . 3.830 4.410 4.410 4.410 0.580 1 1 [+] 1
227 2 7 DG H8 2 8 DC H5 . . 3.790 3.909 3.909 3.909 0.119 1 0 "[ ]" 1
228 2 7 DG H8 2 8 DC H6 . . 4.560 5.200 5.200 5.200 0.640 1 1 [+] 1
229 2 8 DC H1' 2 8 DC Q2' . . 1.940 2.274 2.274 2.274 0.334 1 0 "[ ]" 1
230 2 8 DC H1' 2 8 DC H3' . . 2.520 3.863 3.863 3.863 1.343 1 1 [+] 1
231 2 8 DC H1' 2 8 DC H6 . . 3.340 3.719 3.719 3.719 0.379 1 0 "[ ]" 1
232 2 8 DC H1' 2 9 DT H6 . . 3.160 3.927 3.927 3.927 0.767 1 1 [+] 1
233 2 8 DC H1' 2 9 DT M7 . . 2.740 4.311 4.311 4.311 1.571 1 1 [+] 1
234 2 8 DC H1' 3 1 HND H1 . . 2.600 2.969 2.969 2.969 0.369 1 0 "[ ]" 1
235 2 8 DC Q2' 2 8 DC H3' . . 2.150 2.187 2.187 2.187 0.037 1 0 "[ ]" 1
236 2 8 DC Q2' 2 8 DC H5 . . 4.210 4.378 4.378 4.378 0.168 1 0 "[ ]" 1
237 2 8 DC Q2' 2 8 DC H6 . . 1.980 2.494 2.494 2.494 0.514 1 1 [+] 1
238 2 8 DC Q2' 2 9 DT H6 . . 1.940 2.122 2.122 2.122 0.182 1 0 "[ ]" 1
239 2 8 DC Q2' 2 9 DT M7 . . 2.430 2.295 2.295 2.295 . 0 0 "[ ]" 1
240 2 8 DC H3' 2 8 DC H6 . . 2.730 3.985 3.985 3.985 1.255 1 1 [+] 1
241 2 8 DC H3' 2 9 DT H6 . . 4.250 4.670 4.670 4.670 0.420 1 0 "[ ]" 1
242 2 8 DC H3' 2 9 DT M7 . . 3.710 4.107 4.107 4.107 0.397 1 0 "[ ]" 1
243 2 8 DC H4' 3 1 HND H1 . . 3.400 3.742 3.742 3.742 0.342 1 0 "[ ]" 1
244 2 8 DC H4' 3 1 HND H5A . . 4.830 3.778 3.778 3.778 . 0 0 "[ ]" 1
245 2 8 DC H4' 3 1 HND H6 . . 4.040 5.019 5.019 5.019 0.979 1 1 [+] 1
246 2 8 DC H4' 3 1 HND H7 . . 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 1
247 2 8 DC H5 2 9 DT M7 . . 3.550 3.229 3.229 3.229 . 0 0 "[ ]" 1
248 2 8 DC H5' 3 1 HND H5A . . 4.150 3.645 3.645 3.645 . 0 0 "[ ]" 1
249 2 8 DC H5' 3 1 HND H7 . . 3.320 3.439 3.439 3.439 0.119 1 0 "[ ]" 1
250 2 8 DC H6 2 9 DT M7 . . 2.660 3.121 3.121 3.121 0.461 1 0 "[ ]" 1
251 2 9 DT H1' 2 9 DT Q2' . . 2.340 2.304 2.304 2.304 . 0 0 "[ ]" 1
252 2 9 DT H1' 2 9 DT H3' . . 3.740 3.820 3.820 3.820 0.080 1 0 "[ ]" 1
253 2 9 DT H1' 2 9 DT H6 . . 3.350 3.722 3.722 3.722 0.372 1 0 "[ ]" 1
254 2 9 DT H1' 2 10 DA H8 . . 3.860 3.777 3.777 3.777 . 0 0 "[ ]" 1
255 2 9 DT Q2' 2 9 DT H3' . . 2.060 2.203 2.203 2.203 0.143 1 0 "[ ]" 1
256 2 9 DT Q2' 2 9 DT H6 . . 2.080 2.259 2.259 2.259 0.179 1 0 "[ ]" 1
257 2 9 DT Q2' 2 10 DA H8 . . 2.890 2.395 2.395 2.395 . 0 0 "[ ]" 1
258 2 9 DT H3' 2 9 DT H6 . . 3.500 4.061 4.061 4.061 0.561 1 1 [+] 1
259 2 9 DT H6 2 9 DT M7 . . 2.530 2.252 2.252 2.252 . 0 0 "[ ]" 1
260 2 9 DT H6 2 10 DA H8 . . 5.080 4.551 4.551 4.551 . 0 0 "[ ]" 1
261 2 10 DA H1' 2 10 DA H2' . . 2.950 3.047 3.047 3.047 0.097 1 0 "[ ]" 1
262 2 10 DA H1' 2 10 DA H2'' . . 2.260 2.374 2.374 2.374 0.114 1 0 "[ ]" 1
263 2 10 DA H1' 2 10 DA H3' . . 3.330 3.862 3.862 3.862 0.532 1 1 [+] 1
264 2 10 DA H1' 2 10 DA H8 . . 3.690 3.871 3.871 3.871 0.181 1 0 "[ ]" 1
265 2 10 DA H1' 2 11 DG H8 . . 4.040 4.018 4.018 4.018 . 0 0 "[ ]" 1
266 2 10 DA H2' 2 11 DG H8 . . 2.920 3.333 3.333 3.333 0.413 1 0 "[ ]" 1
267 2 10 DA H2'' 2 11 DG H8 . . 2.360 2.194 2.194 2.194 . 0 0 "[ ]" 1
268 2 10 DA H3' 2 11 DG H8 . . 4.520 4.725 4.725 4.725 0.205 1 0 "[ ]" 1
269 2 10 DA H8 2 11 DG H8 . . 5.200 5.377 5.377 5.377 0.177 1 0 "[ ]" 1
270 2 11 DG H1' 2 11 DG Q2' . . 2.050 2.306 2.306 2.306 0.256 1 0 "[ ]" 1
271 2 11 DG H1' 2 11 DG H3' . . 2.650 3.880 3.880 3.880 1.230 1 1 [+] 1
272 2 11 DG H1' 2 12 DC H5 . . 2.980 4.598 4.598 4.598 1.618 1 1 [+] 1
273 2 11 DG H1' 2 12 DC H6 . . 3.500 3.318 3.318 3.318 . 0 0 "[ ]" 1
274 2 11 DG Q2' 2 11 DG H3' . . 1.960 2.190 2.190 2.190 0.230 1 0 "[ ]" 1
275 2 11 DG Q2' 2 11 DG H8 . . 3.290 2.263 2.263 2.263 . 0 0 "[ ]" 1
276 2 11 DG Q2' 2 12 DC H5 . . 2.800 3.172 3.172 3.172 0.372 1 0 "[ ]" 1
277 2 11 DG Q2' 2 12 DC H6 . . 1.850 2.043 2.043 2.043 0.193 1 0 "[ ]" 1
278 2 11 DG H3' 2 11 DG H8 . . 2.800 4.284 4.284 4.284 1.484 1 1 [+] 1
279 2 11 DG H3' 2 12 DC H6 . . 4.440 4.730 4.730 4.730 0.290 1 0 "[ ]" 1
280 2 11 DG H8 2 12 DC H5 . . 3.280 3.298 3.298 3.298 0.018 1 0 "[ ]" 1
281 2 11 DG H8 2 12 DC H6 . . 3.870 4.289 4.289 4.289 0.419 1 0 "[ ]" 1
282 2 12 DC H1' 2 12 DC Q2' . . 2.200 2.339 2.339 2.339 0.139 1 0 "[ ]" 1
283 2 12 DC H1' 2 12 DC H3' . . 3.500 3.745 3.745 3.745 0.245 1 0 "[ ]" 1
284 2 12 DC H1' 2 12 DC H6 . . 3.500 3.728 3.728 3.728 0.228 1 0 "[ ]" 1
285 2 12 DC Q2' 2 12 DC H3' . . 2.170 2.223 2.223 2.223 0.053 1 0 "[ ]" 1
286 2 12 DC Q2' 2 12 DC H5 . . 4.350 4.346 4.346 4.346 . 0 0 "[ ]" 1
287 2 12 DC Q2' 2 12 DC H6 . . 2.940 2.318 2.318 2.318 . 0 0 "[ ]" 1
288 2 12 DC H3' 2 12 DC H6 . . 2.970 4.281 4.281 4.281 1.311 1 1 [+] 1
289 3 1 HND H1 3 1 HND H2 . . 2.040 2.467 2.467 2.467 0.427 1 0 "[ ]" 1
290 3 1 HND H1 3 1 HND H2A . . 2.450 3.045 3.045 3.045 0.595 1 1 [+] 1
291 3 1 HND H1 3 1 HND H3 . . 2.580 3.760 3.760 3.760 1.180 1 1 [+] 1
292 3 1 HND H1 3 1 HND H4 . . 2.300 2.589 2.589 2.589 0.289 1 0 "[ ]" 1
293 3 1 HND H1 3 1 HND H5 . . 2.170 3.746 3.746 3.746 1.576 1 1 [+] 1
294 3 1 HND H1 3 1 HND H5A . . 3.200 2.194 2.194 2.194 . 0 0 "[ ]" 1
295 3 1 HND H2 3 1 HND H3 . . 1.970 2.279 2.279 2.279 0.309 1 0 "[ ]" 1
296 3 1 HND H2A 3 1 HND H3 . . 2.350 2.526 2.526 2.526 0.176 1 0 "[ ]" 1
297 3 1 HND H2A 3 1 HND H4 . . 3.500 3.808 3.808 3.808 0.308 1 0 "[ ]" 1
298 3 1 HND H3 3 1 HND H5 . . 2.470 3.787 3.787 3.787 1.317 1 1 [+] 1
299 3 1 HND H3 3 1 HND H5A . . 3.510 3.500 3.500 3.500 . 0 0 "[ ]" 1
300 3 1 HND H4 3 1 HND H5 . . 2.140 2.509 2.509 2.509 0.369 1 0 "[ ]" 1
301 3 1 HND H4 3 1 HND H5A . . 2.260 2.313 2.313 2.313 0.053 1 0 "[ ]" 1
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