NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564284 |
2m8y   |
19276 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m8y
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 661
_Distance_constraint_stats_list.Viol_count 958
_Distance_constraint_stats_list.Viol_total 1546.848
_Distance_constraint_stats_list.Viol_max 1.718
_Distance_constraint_stats_list.Viol_rms 0.1277
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0234
_Distance_constraint_stats_list.Viol_average_violations_only 0.1615
_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 52.593 1.543 10 10 [*-*******+]
1 2 DG 53.828 1.542 10 10 [*********+]
1 3 DC 17.458 0.623 5 10 [****+-****]
1 4 DG 8.772 0.486 9 0 "[ . 1]"
1 5 DA 2.264 0.112 7 0 "[ . 1]"
1 6 DA 27.873 1.718 2 10 [*+****-***]
1 7 DG 27.117 1.718 2 10 [*+********]
1 8 DC 7.976 0.865 8 6 "[****. +-1]"
1 9 DA 12.603 0.837 5 10 [****+***-*]
1 10 DT 11.169 0.837 5 10 [****+***-*]
1 11 DT 4.426 0.156 4 0 "[ . 1]"
1 12 DC 4.264 0.120 4 0 "[ . 1]"
1 13 DG 8.402 0.283 2 0 "[ . 1]"
1 14 DC 5.281 0.456 9 0 "[ . 1]"
1 15 DG 5.509 0.456 9 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 Q2' 1 1 DC H6 3.000 2.850 3.750 2.417 2.306 2.808 0.544 3 4 "[ -+ .* *1]" 1
2 1 1 DC Q2' 1 1 DC H5 4.800 3.600 6.000 4.321 4.267 4.504 . 0 0 "[ . 1]" 1
3 1 1 DC H1' 1 1 DC Q2' 3.000 2.250 3.000 2.244 2.152 2.276 0.098 10 0 "[ . 1]" 1
4 1 1 DC H2' 1 1 DC H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 6 0 "[ . 1]" 1
5 1 1 DC H1' 1 1 DC H6 3.800 2.850 4.750 3.722 3.672 3.732 . 0 0 "[ . 1]" 1
6 1 1 DC H5 1 1 DC H6 2.400 . 3.000 2.451 2.450 2.452 . 0 0 "[ . 1]" 1
7 1 1 DC H3' 1 1 DC H6 3.800 2.850 4.750 4.100 4.020 4.383 . 0 0 "[ . 1]" 1
8 1 1 DC H3' 1 1 DC H5 6.000 4.500 7.500 6.473 6.416 6.666 . 0 0 "[ . 1]" 1
9 1 1 DC H1' 1 1 DC H3' 3.000 2.250 3.750 3.818 3.804 3.823 0.073 2 0 "[ . 1]" 1
10 1 1 DC Q2' 1 1 DC H3' 3.000 2.250 3.750 2.229 2.220 2.253 0.030 6 0 "[ . 1]" 1
11 1 1 DC H4' 1 1 DC H6 4.800 3.600 6.000 4.550 4.381 4.604 . 0 0 "[ . 1]" 1
12 1 1 DC H1' 1 1 DC H4' 3.800 2.850 4.750 2.922 2.894 2.955 . 0 0 "[ . 1]" 1
13 1 1 DC Q5' 1 1 DC H6 3.800 2.850 5.250 3.431 3.031 4.019 . 0 0 "[ . 1]" 1
14 1 1 DC H5 1 1 DC Q5' 6.000 4.500 8.000 5.498 5.134 6.013 . 0 0 "[ . 1]" 1
15 1 1 DC H1' 1 1 DC Q5' 6.000 4.500 8.000 4.112 4.035 4.203 0.465 7 0 "[ . 1]" 1
16 1 1 DC H3' 1 1 DC H4' 3.000 2.250 3.750 2.878 2.862 2.888 . 0 0 "[ . 1]" 1
17 1 1 DC H3' 1 1 DC Q5' 3.000 2.250 4.250 2.501 2.269 2.583 . 0 0 "[ . 1]" 1
18 1 1 DC H4' 1 1 DC Q5' 2.400 . 3.500 2.288 2.191 2.372 . 0 0 "[ . 1]" 1
19 1 1 DC Q2' 1 1 DC Q5' 4.800 4.500 6.500 3.316 2.957 3.699 1.543 10 10 [*****-***+] 1
20 1 1 DC Q2' 1 1 DC H4' 4.800 3.600 6.000 3.460 3.449 3.477 0.151 6 0 "[ . 1]" 1
21 1 1 DC H1' 1 1 DC H5 4.800 3.600 6.000 5.432 5.400 5.439 . 0 0 "[ . 1]" 1
22 1 1 DC H1' 1 2 DG H8 4.800 3.600 6.000 3.990 3.884 4.266 . 0 0 "[ . 1]" 1
23 1 1 DC H1' 1 2 DG Q2' 6.000 4.500 7.500 5.199 5.109 5.459 . 0 0 "[ . 1]" 1
24 1 1 DC H3' 1 2 DG H8 3.800 2.850 4.750 4.728 4.419 4.798 0.048 6 0 "[ . 1]" 1
25 1 1 DC Q2' 1 2 DG H3' 4.800 3.600 6.000 4.370 4.298 4.448 . 0 0 "[ . 1]" 1
26 1 1 DC H1' 1 2 DG H4' 6.000 4.500 7.500 4.559 4.460 4.819 0.040 5 0 "[ . 1]" 1
27 1 1 DC Q5' 1 2 DG H8 6.000 4.500 8.000 6.069 5.531 6.418 . 0 0 "[ . 1]" 1
28 1 1 DC Q2' 1 2 DG H4' 4.800 3.600 6.000 4.462 4.329 4.507 . 0 0 "[ . 1]" 1
29 1 1 DC H1' 1 2 DG Q5' 4.800 3.600 6.500 2.897 2.814 3.039 0.786 5 10 [****+****-] 1
30 1 1 DC Q2' 1 2 DG Q5' 4.800 4.500 6.500 3.016 2.958 3.043 1.542 10 10 [*-*******+] 1
31 1 1 DC H6 1 2 DG H8 6.000 4.500 7.500 4.612 4.463 5.039 0.037 9 0 "[ . 1]" 1
32 1 1 DC Q2' 1 2 DG H8 . 2.850 3.750 2.185 2.163 2.193 0.687 10 10 [*-*******+] 1
33 1 2 DG Q2' 1 2 DG H8 3.000 2.250 3.000 2.556 2.526 2.579 . 0 0 "[ . 1]" 1
34 1 2 DG H1' 1 2 DG H8 3.800 2.850 4.750 3.909 3.906 3.913 . 0 0 "[ . 1]" 1
35 1 2 DG H1' 1 2 DG Q2' 3.000 2.250 3.000 2.133 2.130 2.136 0.120 7 0 "[ . 1]" 1
36 1 2 DG H2' 1 2 DG H2'' 2.400 . 3.000 1.790 1.789 1.791 0.011 1 0 "[ . 1]" 1
37 1 2 DG H3' 1 2 DG H8 3.800 2.850 4.750 4.320 4.302 4.335 . 0 0 "[ . 1]" 1
38 1 2 DG H1' 1 2 DG H3' 4.800 3.600 6.000 3.835 3.828 3.840 . 0 0 "[ . 1]" 1
39 1 2 DG Q2' 1 2 DG H3' 3.000 2.250 3.750 2.245 2.244 2.246 0.006 4 0 "[ . 1]" 1
40 1 2 DG H4' 1 2 DG H8 4.800 3.600 6.000 4.894 4.877 4.920 . 0 0 "[ . 1]" 1
41 1 2 DG H1' 1 2 DG H4' 3.800 2.850 4.750 2.877 2.863 2.882 . 0 0 "[ . 1]" 1
42 1 2 DG H3' 1 2 DG H4' 3.000 2.250 3.750 2.898 2.896 2.901 . 0 0 "[ . 1]" 1
43 1 2 DG Q2' 1 2 DG H4' 4.800 3.600 6.000 3.447 3.444 3.451 0.156 4 0 "[ . 1]" 1
44 1 2 DG H5' 1 2 DG H8 4.800 3.600 6.000 4.575 4.554 4.610 . 0 0 "[ . 1]" 1
45 1 2 DG H5'' 1 2 DG H8 4.800 3.600 6.000 5.185 5.156 5.231 . 0 0 "[ . 1]" 1
46 1 2 DG H1' 1 2 DG Q5' 6.000 4.500 8.000 4.189 4.181 4.195 0.319 8 0 "[ . 1]" 1
47 1 2 DG H3' 1 2 DG Q5' 3.200 . 5.100 2.522 2.510 2.535 . 0 0 "[ . 1]" 1
48 1 2 DG H4' 1 2 DG H5' 3.200 . 4.600 2.448 2.440 2.457 . 0 0 "[ . 1]" 1
49 1 2 DG H4' 1 2 DG H5'' 3.200 . 4.600 2.470 2.462 2.478 . 0 0 "[ . 1]" 1
50 1 2 DG H5' 1 2 DG H5'' 2.400 . 3.000 1.777 1.776 1.778 0.024 4 0 "[ . 1]" 1
51 1 2 DG Q2' 1 2 DG Q5' 6.000 4.500 8.000 3.737 3.728 3.744 0.772 10 10 [***-*****+] 1
52 1 2 DG H8 1 3 DC H5 3.800 2.850 4.750 4.490 4.234 4.679 . 0 0 "[ . 1]" 1
53 1 2 DG Q2' 1 3 DC H6 . 2.850 3.750 2.250 2.227 2.279 0.623 5 10 [****+-****] 1
54 1 2 DG H1' 1 3 DC H2' 6.000 4.500 7.500 5.625 5.484 5.728 . 0 0 "[ . 1]" 1
55 1 2 DG Q2' 1 3 DC H5 . 3.500 4.750 3.323 3.284 3.358 0.216 8 0 "[ . 1]" 1
56 1 2 DG Q2' 1 3 DC H2' 6.000 4.500 7.500 4.305 4.251 4.342 0.249 2 0 "[ . 1]" 1
57 1 2 DG H3' 1 3 DC H6 4.800 3.600 6.000 5.152 5.142 5.171 . 0 0 "[ . 1]" 1
58 1 2 DG H3' 1 3 DC H5 4.800 3.600 6.000 6.048 6.036 6.063 0.063 4 0 "[ . 1]" 1
59 1 2 DG Q2' 1 3 DC H3' 6.000 4.500 7.500 4.720 4.630 4.799 . 0 0 "[ . 1]" 1
60 1 2 DG H4' 1 3 DC H6 6.000 4.500 7.500 5.975 5.923 6.016 . 0 0 "[ . 1]" 1
61 1 2 DG H1' 1 3 DC H6 3.800 2.850 4.750 3.665 3.586 3.720 . 0 0 "[ . 1]" 1
62 1 2 DG H8 1 3 DC H6 4.800 3.600 6.000 5.217 5.111 5.313 . 0 0 "[ . 1]" 1
63 1 2 DG H1' 1 3 DC Q5' 3.800 2.850 5.250 2.982 2.683 3.277 0.167 5 0 "[ . 1]" 1
64 1 2 DG H1' 1 3 DC H5 4.800 3.600 6.000 4.875 4.738 4.986 . 0 0 "[ . 1]" 1
65 1 3 DC H2' 1 3 DC H6 2.400 . 3.000 2.627 2.571 2.699 . 0 0 "[ . 1]" 1
66 1 3 DC H2'' 1 3 DC H6 3.800 2.850 4.750 4.109 3.960 4.203 . 0 0 "[ . 1]" 1
67 1 3 DC H1' 1 3 DC H2' 3.000 2.250 3.750 3.019 3.017 3.023 . 0 0 "[ . 1]" 1
68 1 3 DC H1' 1 3 DC H2'' 3.000 2.250 3.750 2.479 2.285 2.553 . 0 0 "[ . 1]" 1
69 1 3 DC H2' 1 3 DC H5 4.800 3.600 6.000 4.572 4.535 4.616 . 0 0 "[ . 1]" 1
70 1 3 DC H2' 1 3 DC H2'' 2.400 . 3.000 1.791 1.790 1.792 0.010 4 0 "[ . 1]" 1
71 1 3 DC H3' 1 3 DC H6 3.800 2.850 4.750 4.029 3.963 4.084 . 0 0 "[ . 1]" 1
72 1 3 DC H1' 1 3 DC H3' 4.800 3.600 6.000 3.853 3.844 3.859 . 0 0 "[ . 1]" 1
73 1 3 DC H2' 1 3 DC H3' 3.000 2.250 3.750 2.303 2.298 2.310 . 0 0 "[ . 1]" 1
74 1 3 DC H2'' 1 3 DC H3' 3.000 2.250 3.750 2.668 2.561 2.923 . 0 0 "[ . 1]" 1
75 1 3 DC H4' 1 3 DC H6 4.800 3.600 6.000 4.491 4.457 4.522 . 0 0 "[ . 1]" 1
76 1 3 DC H1' 1 3 DC H4' 3.200 . 4.600 2.845 2.809 2.876 . 0 0 "[ . 1]" 1
77 1 3 DC H5 1 3 DC H6 2.400 . 3.000 2.451 2.449 2.452 . 0 0 "[ . 1]" 1
78 1 3 DC H1' 1 3 DC H6 4.800 3.600 6.000 3.709 3.701 3.715 . 0 0 "[ . 1]" 1
79 1 3 DC H3' 1 3 DC H4' 3.200 . 4.600 2.917 2.905 2.930 . 0 0 "[ . 1]" 1
80 1 3 DC H2' 1 3 DC H4' 4.800 3.600 6.000 3.889 3.886 3.893 . 0 0 "[ . 1]" 1
81 1 3 DC H2'' 1 3 DC H4' 5.500 3.500 7.500 3.703 3.657 3.757 . 0 0 "[ . 1]" 1
82 1 3 DC H5' 1 3 DC H6 4.800 3.600 6.000 4.202 4.145 4.277 . 0 0 "[ . 1]" 1
83 1 3 DC H5'' 1 3 DC H6 4.800 3.600 6.000 4.776 4.718 4.840 . 0 0 "[ . 1]" 1
84 1 3 DC H3' 1 3 DC Q5' 3.000 2.250 4.250 2.494 2.460 2.528 . 0 0 "[ . 1]" 1
85 1 3 DC H2' 1 4 DG H8 3.800 2.850 4.750 2.832 2.775 2.877 0.075 2 0 "[ . 1]" 1
86 1 3 DC H2'' 1 4 DG H8 3.000 2.250 3.750 2.195 2.191 2.200 0.059 7 0 "[ . 1]" 1
87 1 3 DC H1' 1 4 DG H8 4.800 3.600 6.000 3.840 3.661 3.980 . 0 0 "[ . 1]" 1
88 1 3 DC H3' 1 4 DG H8 4.800 3.600 6.000 4.535 4.455 4.656 . 0 0 "[ . 1]" 1
89 1 3 DC H4' 1 4 DG H8 6.000 4.500 7.500 5.798 5.725 5.879 . 0 0 "[ . 1]" 1
90 1 3 DC H1' 1 4 DG H4' 6.000 4.500 7.500 5.143 5.092 5.195 . 0 0 "[ . 1]" 1
91 1 3 DC H2'' 1 4 DG H4' 6.000 4.500 7.500 4.801 4.628 4.913 . 0 0 "[ . 1]" 1
92 1 3 DC H1' 1 4 DG H5' 4.800 3.600 6.000 3.535 3.522 3.543 0.078 5 0 "[ . 1]" 1
93 1 3 DC H2'' 1 4 DG Q5' 4.800 3.600 6.500 3.183 3.114 3.265 0.486 9 0 "[ . 1]" 1
94 1 3 DC H6 1 4 DG H8 4.800 3.600 6.000 4.822 4.557 5.090 . 0 0 "[ . 1]" 1
95 1 3 DC H2' 1 4 DG Q5' 6.000 4.500 8.000 4.743 4.664 4.819 . 0 0 "[ . 1]" 1
96 1 3 DC H1' 1 4 DG H5'' 4.800 3.600 6.000 5.132 5.112 5.155 . 0 0 "[ . 1]" 1
97 1 4 DG H2' 1 4 DG H8 2.400 . 3.000 2.475 2.414 2.512 . 0 0 "[ . 1]" 1
98 1 4 DG H2'' 1 4 DG H8 3.000 2.250 3.750 3.804 3.795 3.822 0.072 7 0 "[ . 1]" 1
99 1 4 DG H1' 1 4 DG H2' 3.000 2.250 3.750 3.026 3.025 3.027 . 0 0 "[ . 1]" 1
100 1 4 DG H1' 1 4 DG H2'' 3.000 2.250 3.750 2.262 2.221 2.351 0.029 8 0 "[ . 1]" 1
101 1 4 DG H1' 1 4 DG H8 3.800 2.850 4.750 3.912 3.911 3.914 . 0 0 "[ . 1]" 1
102 1 4 DG H2' 1 4 DG H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 9 0 "[ . 1]" 1
103 1 4 DG H3' 1 4 DG H8 3.800 2.850 4.750 4.370 4.317 4.405 . 0 0 "[ . 1]" 1
104 1 4 DG H1' 1 4 DG H3' 4.800 3.600 6.000 3.820 3.812 3.830 . 0 0 "[ . 1]" 1
105 1 4 DG H2' 1 4 DG H3' 4.650 . 7.500 2.336 2.322 2.347 . 0 0 "[ . 1]" 1
106 1 4 DG H2'' 1 4 DG H3' 3.000 2.250 3.750 2.911 2.808 2.968 . 0 0 "[ . 1]" 1
107 1 4 DG H4' 1 4 DG H8 4.800 3.600 6.000 4.917 4.903 4.934 . 0 0 "[ . 1]" 1
108 1 4 DG H1' 1 4 DG H4' 3.800 2.850 4.750 3.026 2.926 3.121 . 0 0 "[ . 1]" 1
109 1 4 DG H3' 1 4 DG H4' 3.000 2.250 3.750 2.847 2.818 2.880 . 0 0 "[ . 1]" 1
110 1 4 DG H2' 1 4 DG H4' 4.800 3.600 6.000 3.859 3.846 3.873 . 0 0 "[ . 1]" 1
111 1 4 DG H2'' 1 4 DG H4' 4.800 3.600 6.000 3.968 3.899 4.011 . 0 0 "[ . 1]" 1
112 1 4 DG H5' 1 4 DG H8 4.800 3.600 6.000 4.489 4.420 4.601 . 0 0 "[ . 1]" 1
113 1 4 DG H5'' 1 4 DG H8 4.800 3.600 6.000 5.033 4.912 5.166 . 0 0 "[ . 1]" 1
114 1 4 DG H3' 1 4 DG Q5' 3.200 . 5.100 2.457 2.427 2.496 . 0 0 "[ . 1]" 1
115 1 4 DG H5' 1 4 DG H5'' 2.400 . 3.000 1.776 1.774 1.776 0.026 3 0 "[ . 1]" 1
116 1 4 DG H2' 1 4 DG Q5' 4.800 3.600 6.500 3.752 3.646 3.876 . 0 0 "[ . 1]" 1
117 1 4 DG H2'' 1 4 DG Q5' 6.000 4.500 8.000 4.588 4.523 4.636 . 0 0 "[ . 1]" 1
118 1 4 DG H4' 1 4 DG H5' 2.400 . 3.000 2.440 2.431 2.448 . 0 0 "[ . 1]" 1
119 1 4 DG H4' 1 4 DG H5'' 2.400 . 3.000 2.475 2.467 2.486 . 0 0 "[ . 1]" 1
120 1 4 DG H2' 1 5 DA H8 4.650 . 7.500 3.556 3.287 3.751 . 0 0 "[ . 1]" 1
121 1 4 DG H2'' 1 5 DA H8 3.000 2.250 3.750 2.206 2.197 2.231 0.053 5 0 "[ . 1]" 1
122 1 4 DG H1' 1 5 DA H8 3.800 2.850 4.750 3.547 3.376 3.649 . 0 0 "[ . 1]" 1
123 1 4 DG H2'' 1 5 DA H2' 4.800 3.600 6.000 3.878 3.746 4.059 . 0 0 "[ . 1]" 1
124 1 4 DG H3' 1 5 DA H8 4.650 . 7.500 5.014 4.972 5.069 . 0 0 "[ . 1]" 1
125 1 4 DG H4' 1 5 DA H8 6.000 4.500 7.500 5.992 5.931 6.060 . 0 0 "[ . 1]" 1
126 1 4 DG H1' 1 5 DA H4' 6.000 4.500 7.500 4.920 4.777 5.036 . 0 0 "[ . 1]" 1
127 1 4 DG H2'' 1 5 DA H4' 6.000 4.500 7.500 5.311 4.948 5.586 . 0 0 "[ . 1]" 1
128 1 5 DA H2' 1 5 DA H8 3.200 . 4.600 2.376 2.301 2.445 . 0 0 "[ . 1]" 1
129 1 5 DA H2'' 1 5 DA H8 3.200 . 4.600 3.898 3.841 3.946 . 0 0 "[ . 1]" 1
130 1 5 DA H1' 1 5 DA H8 3.800 2.850 4.750 3.914 3.908 3.919 . 0 0 "[ . 1]" 1
131 1 5 DA H1' 1 5 DA H2' 3.000 2.250 3.750 3.025 3.023 3.027 . 0 0 "[ . 1]" 1
132 1 5 DA H1' 1 5 DA H2'' 3.000 2.250 3.750 2.485 2.403 2.584 . 0 0 "[ . 1]" 1
133 1 5 DA H2' 1 5 DA H2'' 2.400 . 3.000 1.792 1.791 1.794 0.009 8 0 "[ . 1]" 1
134 1 5 DA H3' 1 5 DA H8 4.650 . 7.500 4.326 4.275 4.362 . 0 0 "[ . 1]" 1
135 1 5 DA H1' 1 5 DA H2 4.800 3.600 6.000 4.458 4.453 4.468 . 0 0 "[ . 1]" 1
136 1 5 DA H1' 1 5 DA H3' 4.800 3.600 6.000 3.829 3.820 3.840 . 0 0 "[ . 1]" 1
137 1 5 DA H2' 1 5 DA H3' 3.000 2.250 3.750 2.337 2.315 2.351 . 0 0 "[ . 1]" 1
138 1 5 DA H2'' 1 5 DA H3' 4.650 . 7.500 2.616 2.419 2.777 . 0 0 "[ . 1]" 1
139 1 5 DA H4' 1 5 DA H8 4.800 3.600 6.000 4.950 4.913 4.974 . 0 0 "[ . 1]" 1
140 1 5 DA H1' 1 5 DA H4' 3.800 2.850 4.750 3.098 2.908 3.251 . 0 0 "[ . 1]" 1
141 1 5 DA H3' 1 5 DA H4' 3.000 2.250 3.750 2.830 2.785 2.889 . 0 0 "[ . 1]" 1
142 1 5 DA H2' 1 5 DA H4' 4.800 3.600 6.000 3.857 3.838 3.878 . 0 0 "[ . 1]" 1
143 1 5 DA H2'' 1 5 DA H4' 4.800 3.600 6.000 3.909 3.842 3.996 . 0 0 "[ . 1]" 1
144 1 5 DA H5' 1 5 DA H8 5.500 3.500 7.500 4.450 4.280 4.650 . 0 0 "[ . 1]" 1
145 1 5 DA H5'' 1 5 DA H8 5.500 3.500 7.500 4.991 4.773 5.252 . 0 0 "[ . 1]" 1
146 1 5 DA H2' 1 6 DA H8 3.800 2.850 4.750 3.076 2.876 3.207 . 0 0 "[ . 1]" 1
147 1 5 DA H2'' 1 6 DA H8 3.000 2.250 3.750 2.405 2.282 2.623 . 0 0 "[ . 1]" 1
148 1 5 DA H2'' 1 6 DA Q2' 4.800 3.600 6.000 3.517 3.488 3.540 0.112 7 0 "[ . 1]" 1
149 1 5 DA H3' 1 6 DA H8 4.800 3.600 6.000 4.807 4.674 4.890 . 0 0 "[ . 1]" 1
150 1 5 DA H2 1 6 DA H1' 4.800 3.600 6.000 5.024 4.749 5.325 . 0 0 "[ . 1]" 1
151 1 5 DA H1' 1 6 DA H3' 6.000 4.500 7.500 5.803 5.627 6.062 . 0 0 "[ . 1]" 1
152 1 5 DA H2' 1 6 DA H3' 6.000 4.500 7.500 6.194 5.970 6.437 . 0 0 "[ . 1]" 1
153 1 5 DA H2'' 1 6 DA H3' 4.800 3.600 6.000 4.498 4.289 4.673 . 0 0 "[ . 1]" 1
154 1 5 DA H1' 1 6 DA H8 4.800 3.600 6.000 3.794 3.632 3.960 . 0 0 "[ . 1]" 1
155 1 5 DA H2 1 6 DA H4' 6.000 4.500 7.500 5.764 5.591 5.972 . 0 0 "[ . 1]" 1
156 1 5 DA H4' 1 6 DA H8 6.000 4.500 7.500 6.119 5.991 6.224 . 0 0 "[ . 1]" 1
157 1 5 DA H2 1 6 DA Q5' 6.000 4.500 8.000 5.574 5.465 5.721 . 0 0 "[ . 1]" 1
158 1 5 DA H1' 1 6 DA H4' 4.800 3.600 6.000 4.900 4.718 5.059 . 0 0 "[ . 1]" 1
159 1 5 DA H2'' 1 6 DA H4' 4.800 3.600 6.000 4.943 4.695 5.122 . 0 0 "[ . 1]" 1
160 1 5 DA H8 1 6 DA H8 4.800 3.600 6.000 4.232 4.014 4.397 . 0 0 "[ . 1]" 1
161 1 5 DA H1' 1 6 DA Q5' 3.200 . 5.100 3.123 2.987 3.280 . 0 0 "[ . 1]" 1
162 1 5 DA H2 1 6 DA H2 4.800 3.600 6.000 5.006 4.731 5.402 . 0 0 "[ . 1]" 1
163 1 5 DA H2 1 11 DT C7 6.000 4.500 8.000 7.187 7.100 7.296 . 0 0 "[ . 1]" 1
164 1 5 DA H2 1 11 DT H1' 6.000 4.500 7.500 5.603 5.430 5.770 . 0 0 "[ . 1]" 1
165 1 5 DA H2 1 12 DC H2' 6.000 4.500 7.500 6.027 5.845 6.175 . 0 0 "[ . 1]" 1
166 1 5 DA H2 1 12 DC H2'' 6.000 4.500 7.500 6.011 5.961 6.072 . 0 0 "[ . 1]" 1
167 1 5 DA H2 1 12 DC H1' 4.800 3.600 6.000 3.578 3.561 3.598 0.039 4 0 "[ . 1]" 1
168 1 5 DA H2 1 12 DC H4' 6.000 4.500 7.500 5.539 5.476 5.599 . 0 0 "[ . 1]" 1
169 1 5 DA H2 1 13 DG H2' 6.000 4.500 7.500 7.570 7.548 7.594 0.094 8 0 "[ . 1]" 1
170 1 6 DA Q2' 1 6 DA H8 2.400 2.250 3.000 2.404 2.353 2.450 . 0 0 "[ . 1]" 1
171 1 6 DA H1' 1 6 DA Q2' . 2.850 3.750 2.211 2.157 2.302 0.693 9 10 [******-*+*] 1
172 1 6 DA H1' 1 6 DA H2 4.800 3.600 6.000 4.428 4.420 4.433 . 0 0 "[ . 1]" 1
173 1 6 DA H2' 1 6 DA H2'' 2.400 . 3.000 1.791 1.791 1.793 0.009 7 0 "[ . 1]" 1
174 1 6 DA H3' 1 6 DA H8 3.800 2.850 4.750 4.442 4.355 4.534 . 0 0 "[ . 1]" 1
175 1 6 DA H1' 1 6 DA H3' 4.800 3.600 6.000 3.780 3.744 3.805 . 0 0 "[ . 1]" 1
176 1 6 DA Q2' 1 6 DA H3' 3.000 2.250 3.750 2.250 2.242 2.260 0.008 7 0 "[ . 1]" 1
177 1 6 DA H1' 1 6 DA H8 3.800 2.850 4.750 3.922 3.920 3.924 . 0 0 "[ . 1]" 1
178 1 6 DA H4' 1 6 DA H8 4.800 3.600 6.000 5.023 5.000 5.060 . 0 0 "[ . 1]" 1
179 1 6 DA H1' 1 6 DA H4' 3.000 2.250 3.750 2.924 2.858 2.987 . 0 0 "[ . 1]" 1
180 1 6 DA H3' 1 6 DA H4' 3.000 2.250 3.750 2.861 2.832 2.886 . 0 0 "[ . 1]" 1
181 1 6 DA Q2' 1 6 DA H4' 4.800 3.600 6.000 3.472 3.456 3.482 0.144 5 0 "[ . 1]" 1
182 1 6 DA Q5' 1 6 DA H8 4.800 3.600 6.500 4.378 4.306 4.489 . 0 0 "[ . 1]" 1
183 1 6 DA H3' 1 6 DA Q5' 3.200 . 5.100 2.523 2.499 2.563 . 0 0 "[ . 1]" 1
184 1 6 DA H4' 1 6 DA Q5' 2.400 . 3.500 2.189 2.188 2.189 . 0 0 "[ . 1]" 1
185 1 6 DA Q2' 1 7 DG H1' 6.000 4.500 7.500 4.348 4.300 4.437 0.200 7 0 "[ . 1]" 1
186 1 6 DA Q2' 1 7 DG H2' 5.500 3.500 7.500 3.929 3.519 4.364 . 0 0 "[ . 1]" 1
187 1 6 DA H3' 1 7 DG H8 4.800 3.600 6.000 4.904 4.278 5.422 . 0 0 "[ . 1]" 1
188 1 6 DA H1' 1 7 DG H3' 6.000 4.500 7.500 5.781 5.668 5.889 . 0 0 "[ . 1]" 1
189 1 6 DA Q2' 1 7 DG H3' 6.000 4.500 7.500 4.687 4.531 4.834 . 0 0 "[ . 1]" 1
190 1 6 DA H2 1 7 DG H4' 4.800 3.600 6.000 4.271 4.046 4.484 . 0 0 "[ . 1]" 1
191 1 6 DA Q2' 1 7 DG H4' 4.800 3.600 6.000 4.031 3.812 4.177 . 0 0 "[ . 1]" 1
192 1 6 DA H8 1 7 DG H8 4.800 3.600 6.000 5.560 5.077 6.034 0.034 1 0 "[ . 1]" 1
193 1 6 DA H2 1 7 DG Q5' 6.000 4.500 8.000 5.126 4.721 5.714 . 0 0 "[ . 1]" 1
194 1 6 DA H1' 1 7 DG H5' 3.200 . 4.600 3.162 2.446 4.173 . 0 0 "[ . 1]" 1
195 1 6 DA H1' 1 7 DG H5'' 3.200 . 4.600 4.108 3.874 4.282 . 0 0 "[ . 1]" 1
196 1 6 DA Q2' 1 7 DG Q5' 5.500 4.500 8.000 2.821 2.782 2.854 1.718 2 10 [*+*-******] 1
197 1 6 DA H8 1 7 DG Q5' 6.000 4.500 8.000 5.975 5.782 6.204 . 0 0 "[ . 1]" 1
198 1 6 DA H1' 1 7 DG H8 4.800 3.600 6.000 5.307 4.955 5.849 . 0 0 "[ . 1]" 1
199 1 6 DA Q2' 1 7 DG H8 . 2.850 3.750 3.004 2.547 3.548 0.303 6 0 "[ . 1]" 1
200 1 6 DA H2 1 10 DT C7 6.000 4.500 8.000 6.785 6.768 6.795 . 0 0 "[ . 1]" 1
201 1 6 DA H2 1 10 DT H1' 6.000 4.500 7.500 5.297 5.195 5.429 . 0 0 "[ . 1]" 1
202 1 6 DA H2 1 11 DT C7 6.000 4.500 8.000 5.972 5.777 6.182 . 0 0 "[ . 1]" 1
203 1 6 DA H2 1 11 DT H1' 4.800 3.600 6.000 5.107 4.834 5.335 . 0 0 "[ . 1]" 1
204 1 7 DG H1' 1 7 DG H2'' 3.000 2.250 3.750 2.375 2.283 2.436 . 0 0 "[ . 1]" 1
205 1 7 DG H1' 1 7 DG H2' 3.000 2.250 3.750 3.026 3.024 3.029 . 0 0 "[ . 1]" 1
206 1 7 DG H2' 1 7 DG H2'' 2.400 . 3.000 1.793 1.792 1.794 0.008 1 0 "[ . 1]" 1
207 1 7 DG H3' 1 7 DG H8 3.800 2.850 4.750 4.320 4.266 4.397 . 0 0 "[ . 1]" 1
208 1 7 DG H1' 1 7 DG H3' 4.800 3.600 6.000 3.815 3.796 3.824 . 0 0 "[ . 1]" 1
209 1 7 DG H2'' 1 7 DG H3' 3.000 2.250 3.750 2.785 2.683 2.908 . 0 0 "[ . 1]" 1
210 1 7 DG H2' 1 7 DG H3' 3.000 2.250 3.750 2.343 2.328 2.369 . 0 0 "[ . 1]" 1
211 1 7 DG H4' 1 7 DG H8 4.800 3.600 6.000 5.081 5.002 5.106 . 0 0 "[ . 1]" 1
212 1 7 DG H1' 1 7 DG H4' 3.800 2.850 4.750 3.053 2.938 3.211 . 0 0 "[ . 1]" 1
213 1 7 DG H3' 1 7 DG H4' 3.000 2.250 3.750 2.838 2.784 2.875 . 0 0 "[ . 1]" 1
214 1 7 DG H2'' 1 7 DG H4' 4.800 3.600 6.000 3.963 3.876 4.046 . 0 0 "[ . 1]" 1
215 1 7 DG H2' 1 7 DG H4' 4.800 3.600 6.000 3.852 3.816 3.868 . 0 0 "[ . 1]" 1
216 1 7 DG H5' 1 7 DG H8 4.800 3.600 6.000 5.027 4.727 5.388 . 0 0 "[ . 1]" 1
217 1 7 DG H5'' 1 7 DG H8 4.800 3.600 6.000 4.514 3.602 5.148 . 0 0 "[ . 1]" 1
218 1 7 DG H1' 1 7 DG H5' 6.000 4.500 7.500 4.775 4.661 4.910 . 0 0 "[ . 1]" 1
219 1 7 DG H1' 1 7 DG H5'' 6.000 4.500 7.500 4.750 4.481 4.935 0.019 1 0 "[ . 1]" 1
220 1 7 DG H1' 1 7 DG H8 3.800 2.850 4.750 3.900 3.892 3.916 . 0 0 "[ . 1]" 1
221 1 7 DG H3' 1 7 DG H5' 3.000 2.250 3.750 3.208 2.548 3.644 . 0 0 "[ . 1]" 1
222 1 7 DG H3' 1 7 DG H5'' 3.000 2.250 3.750 2.461 2.384 2.562 . 0 0 "[ . 1]" 1
223 1 7 DG H4' 1 7 DG H5' 2.400 . 3.000 2.419 2.386 2.460 . 0 0 "[ . 1]" 1
224 1 7 DG H4' 1 7 DG H5'' 2.400 . 3.000 2.729 2.515 3.039 0.039 9 0 "[ . 1]" 1
225 1 7 DG H2'' 1 7 DG Q5' 5.500 3.500 8.000 4.356 4.144 4.550 . 0 0 "[ . 1]" 1
226 1 7 DG H2' 1 7 DG Q5' 4.800 3.600 6.500 3.399 3.060 3.714 0.540 1 3 "[+- . *1]" 1
227 1 7 DG H2'' 1 7 DG H8 3.000 2.250 3.750 3.618 3.544 3.758 0.008 1 0 "[ . 1]" 1
228 1 7 DG H2' 1 7 DG H8 2.400 . 3.000 2.234 2.188 2.374 . 0 0 "[ . 1]" 1
229 1 7 DG H2'' 1 8 DC H6 3.800 2.850 4.750 3.041 2.848 3.559 0.002 2 0 "[ . 1]" 1
230 1 7 DG H2' 1 8 DC H6 4.800 3.600 6.000 4.652 4.259 5.294 . 0 0 "[ . 1]" 1
231 1 7 DG H1' 1 8 DC H2' 6.000 4.500 7.500 5.620 5.217 5.892 . 0 0 "[ . 1]" 1
232 1 7 DG H1' 1 8 DC H4' 6.000 4.500 7.500 4.745 4.480 5.361 0.020 4 0 "[ . 1]" 1
233 1 7 DG H2'' 1 8 DC H5 3.800 2.850 4.750 3.876 3.564 4.162 . 0 0 "[ . 1]" 1
234 1 7 DG H2' 1 8 DC H5 4.800 3.600 6.000 4.836 4.595 5.242 . 0 0 "[ . 1]" 1
235 1 7 DG H2'' 1 8 DC H2' 6.000 4.500 7.500 5.072 4.627 6.008 . 0 0 "[ . 1]" 1
236 1 7 DG H3' 1 8 DC H6 6.000 4.500 7.500 5.600 5.490 5.716 . 0 0 "[ . 1]" 1
237 1 7 DG H3' 1 8 DC H5 6.000 4.500 7.500 6.533 6.190 6.753 . 0 0 "[ . 1]" 1
238 1 7 DG H4' 1 8 DC H6 6.000 4.500 7.500 6.189 5.786 6.308 . 0 0 "[ . 1]" 1
239 1 7 DG H1' 1 8 DC Q5' 4.800 3.600 6.500 3.275 2.735 4.565 0.865 8 6 "[****. +-1]" 1
240 1 7 DG H4' 1 8 DC Q5' 3.800 2.850 5.250 3.782 3.500 4.479 . 0 0 "[ . 1]" 1
241 1 7 DG H8 1 8 DC H5 4.800 3.600 6.000 5.262 4.760 5.937 . 0 0 "[ . 1]" 1
242 1 7 DG H4' 1 8 DC H4' 6.000 4.500 7.500 5.874 5.270 6.292 . 0 0 "[ . 1]" 1
243 1 7 DG H1' 1 8 DC H6 3.000 2.250 3.750 3.759 3.568 3.790 0.040 2 0 "[ . 1]" 1
244 1 7 DG H8 1 8 DC H6 6.000 4.500 7.500 5.843 5.396 6.620 . 0 0 "[ . 1]" 1
245 1 7 DG H1' 1 8 DC H5 4.800 3.600 6.000 4.829 4.130 5.231 . 0 0 "[ . 1]" 1
246 1 7 DG H4' 1 9 DA H2 5.500 3.500 7.500 4.799 4.430 5.273 . 0 0 "[ . 1]" 1
247 1 8 DC H2' 1 8 DC H6 3.000 2.250 3.750 2.535 2.197 2.898 0.053 6 0 "[ . 1]" 1
248 1 8 DC H2'' 1 8 DC H6 3.800 2.850 4.750 3.921 3.547 4.223 . 0 0 "[ . 1]" 1
249 1 8 DC H4' 1 8 DC H6 4.800 3.600 6.000 4.520 4.382 4.710 . 0 0 "[ . 1]" 1
250 1 8 DC H1' 1 8 DC H2' 3.000 2.250 3.750 3.024 3.022 3.026 . 0 0 "[ . 1]" 1
251 1 8 DC H1' 1 8 DC H2'' 3.000 2.250 3.750 2.338 2.200 2.411 0.050 6 0 "[ . 1]" 1
252 1 8 DC H2' 1 8 DC H5 4.800 3.600 6.000 4.544 4.361 4.746 . 0 0 "[ . 1]" 1
253 1 8 DC H2'' 1 8 DC H5 6.000 4.500 7.500 5.704 5.362 5.938 . 0 0 "[ . 1]" 1
254 1 8 DC H1' 1 8 DC H4' 3.800 2.850 4.750 2.901 2.768 3.020 0.082 7 0 "[ . 1]" 1
255 1 8 DC H2' 1 8 DC H4' 4.800 3.600 6.000 3.871 3.859 3.883 . 0 0 "[ . 1]" 1
256 1 8 DC H2' 1 8 DC H2'' 2.400 . 3.000 1.792 1.791 1.793 0.009 6 0 "[ . 1]" 1
257 1 8 DC H3' 1 8 DC H6 4.800 3.600 6.000 4.130 3.906 4.300 . 0 0 "[ . 1]" 1
258 1 8 DC H1' 1 8 DC H3' 4.800 3.600 6.000 3.826 3.813 3.838 . 0 0 "[ . 1]" 1
259 1 8 DC H2' 1 8 DC H3' 3.000 2.250 3.750 2.322 2.309 2.336 . 0 0 "[ . 1]" 1
260 1 8 DC H2'' 1 8 DC H3' 3.000 2.250 3.750 2.850 2.775 3.002 . 0 0 "[ . 1]" 1
261 1 8 DC H3' 1 8 DC H4' 3.000 2.250 3.750 2.885 2.849 2.920 . 0 0 "[ . 1]" 1
262 1 8 DC H5' 1 8 DC H6 4.800 3.600 6.000 4.338 4.016 5.044 . 0 0 "[ . 1]" 1
263 1 8 DC H5'' 1 8 DC H6 4.800 3.600 6.000 4.445 3.432 4.764 0.168 7 0 "[ . 1]" 1
264 1 8 DC H1' 1 8 DC H5' 6.000 4.500 7.500 4.658 4.577 4.856 . 0 0 "[ . 1]" 1
265 1 8 DC H1' 1 8 DC H5'' 6.000 4.500 7.500 4.811 4.512 4.906 . 0 0 "[ . 1]" 1
266 1 8 DC H2' 1 8 DC H5'' 5.500 3.500 7.500 4.000 3.453 4.229 0.047 7 0 "[ . 1]" 1
267 1 8 DC H2'' 1 8 DC H5'' 5.500 3.500 7.500 4.864 4.666 4.989 . 0 0 "[ . 1]" 1
268 1 8 DC H4' 1 8 DC H5'' 3.000 2.250 3.750 2.621 2.497 3.040 . 0 0 "[ . 1]" 1
269 1 8 DC H5' 1 8 DC H5'' 2.400 . 3.000 1.776 1.774 1.777 0.026 7 0 "[ . 1]" 1
270 1 8 DC H2' 1 8 DC H5' 5.500 3.500 7.500 4.506 4.381 4.591 . 0 0 "[ . 1]" 1
271 1 8 DC H2'' 1 8 DC H5' 5.500 3.500 7.500 5.330 5.084 5.404 . 0 0 "[ . 1]" 1
272 1 8 DC H4' 1 8 DC H5' 3.000 2.250 3.750 2.412 2.383 2.477 . 0 0 "[ . 1]" 1
273 1 8 DC H3' 1 8 DC Q5' 3.000 2.250 4.250 2.392 2.280 2.455 . 0 0 "[ . 1]" 1
274 1 8 DC H5 1 8 DC H6 2.400 . 3.000 2.450 2.448 2.452 . 0 0 "[ . 1]" 1
275 1 8 DC H1' 1 8 DC H6 4.800 3.600 6.000 3.713 3.666 3.742 . 0 0 "[ . 1]" 1
276 1 8 DC H4' 1 9 DA H1' 6.000 4.500 7.500 4.401 4.338 4.473 0.162 4 0 "[ . 1]" 1
277 1 8 DC H4' 1 9 DA H2' 6.000 4.500 7.500 4.905 4.418 5.422 0.082 9 0 "[ . 1]" 1
278 1 8 DC H4' 1 9 DA H2'' 6.000 4.500 7.500 5.733 5.391 6.103 . 0 0 "[ . 1]" 1
279 1 8 DC H3' 1 9 DA H8 5.500 3.500 7.500 6.409 5.604 7.444 . 0 0 "[ . 1]" 1
280 1 8 DC H1' 1 9 DA H8 5.500 3.500 7.500 4.022 3.463 4.661 0.037 6 0 "[ . 1]" 1
281 1 8 DC H5' 1 9 DA H8 5.500 3.500 7.500 5.949 5.500 7.146 . 0 0 "[ . 1]" 1
282 1 8 DC H5'' 1 9 DA H8 5.500 3.500 7.500 6.505 5.927 7.477 . 0 0 "[ . 1]" 1
283 1 8 DC H5' 1 9 DA H2 5.500 3.500 7.500 3.823 3.476 4.443 0.024 10 0 "[ . 1]" 1
284 1 8 DC H5'' 1 9 DA H2 5.500 3.500 7.500 4.244 3.494 5.650 0.006 2 0 "[ . 1]" 1
285 1 8 DC H1' 1 9 DA H5' 6.000 4.500 7.500 6.092 5.310 6.330 . 0 0 "[ . 1]" 1
286 1 8 DC H1' 1 9 DA H5'' 6.000 4.500 7.500 5.151 4.427 6.973 0.073 10 0 "[ . 1]" 1
287 1 8 DC H4' 1 9 DA H5'' 5.500 3.500 7.500 5.138 4.630 6.194 . 0 0 "[ . 1]" 1
288 1 8 DC H4' 1 9 DA H5' 5.500 3.500 7.500 5.624 4.259 6.153 . 0 0 "[ . 1]" 1
289 1 8 DC H3' 1 9 DA H5' 6.000 4.500 7.500 5.624 4.223 6.643 0.277 9 0 "[ . 1]" 1
290 1 8 DC H3' 1 9 DA H5'' 6.000 4.500 7.500 5.481 5.108 6.255 . 0 0 "[ . 1]" 1
291 1 8 DC H2'' 1 9 DA H8 5.500 3.500 7.500 5.816 4.722 6.910 . 0 0 "[ . 1]" 1
292 1 8 DC H4' 1 9 DA H8 5.500 3.500 7.500 4.018 3.461 4.795 0.039 5 0 "[ . 1]" 1
293 1 8 DC H1' 1 9 DA H2 5.500 3.500 7.500 7.170 6.192 7.504 0.004 5 0 "[ . 1]" 1
294 1 8 DC H4' 1 9 DA H2 5.500 3.500 7.500 4.414 3.877 4.677 . 0 0 "[ . 1]" 1
295 1 9 DA H1' 1 9 DA H2'' 3.000 2.250 3.750 2.302 2.223 2.361 0.027 9 0 "[ . 1]" 1
296 1 9 DA H1' 1 9 DA H2' 3.800 2.850 4.750 3.024 3.022 3.026 . 0 0 "[ . 1]" 1
297 1 9 DA H2' 1 9 DA H2'' 2.400 . 3.000 1.790 1.789 1.791 0.011 1 0 "[ . 1]" 1
298 1 9 DA H3' 1 9 DA H8 5.500 3.500 7.500 4.331 4.309 4.411 . 0 0 "[ . 1]" 1
299 1 9 DA H1' 1 9 DA H3' 4.800 3.600 6.000 3.823 3.816 3.827 . 0 0 "[ . 1]" 1
300 1 9 DA H2'' 1 9 DA H3' 3.000 2.250 3.750 2.905 2.834 2.975 . 0 0 "[ . 1]" 1
301 1 9 DA H2' 1 9 DA H3' 3.000 2.250 3.750 2.312 2.309 2.316 . 0 0 "[ . 1]" 1
302 1 9 DA H1' 1 9 DA H8 3.200 . 4.600 3.845 3.776 3.861 . 0 0 "[ . 1]" 1
303 1 9 DA H4' 1 9 DA H8 5.500 3.500 7.500 5.357 5.329 5.455 . 0 0 "[ . 1]" 1
304 1 9 DA H2 1 9 DA H4' 5.500 3.500 7.500 6.422 6.308 6.509 . 0 0 "[ . 1]" 1
305 1 9 DA H1' 1 9 DA H4' 3.200 . 4.600 2.830 2.797 2.890 . 0 0 "[ . 1]" 1
306 1 9 DA H3' 1 9 DA H4' 3.000 2.250 3.750 2.907 2.887 2.916 . 0 0 "[ . 1]" 1
307 1 9 DA H2'' 1 9 DA H4' 4.800 3.600 6.000 3.833 3.809 3.878 . 0 0 "[ . 1]" 1
308 1 9 DA H2' 1 9 DA H4' 4.800 3.600 6.000 3.875 3.869 3.880 . 0 0 "[ . 1]" 1
309 1 9 DA H5' 1 9 DA H8 5.500 3.500 7.500 5.839 5.659 5.947 . 0 0 "[ . 1]" 1
310 1 9 DA H5'' 1 9 DA H8 5.500 3.500 7.500 4.869 4.417 6.027 . 0 0 "[ . 1]" 1
311 1 9 DA H2 1 9 DA Q5' 5.500 3.500 8.000 7.122 6.574 7.296 . 0 0 "[ . 1]" 1
312 1 9 DA H1' 1 9 DA H5' 6.000 4.500 7.500 4.769 4.559 4.858 . 0 0 "[ . 1]" 1
313 1 9 DA H1' 1 9 DA H5'' 6.000 4.500 7.500 4.609 4.493 4.865 0.007 2 0 "[ . 1]" 1
314 1 9 DA H3' 1 9 DA H5' 3.000 2.250 3.750 2.923 2.578 3.648 . 0 0 "[ . 1]" 1
315 1 9 DA H3' 1 9 DA H5'' 3.000 2.250 3.750 2.499 2.375 2.552 . 0 0 "[ . 1]" 1
316 1 9 DA H4' 1 9 DA H5' 3.200 . 4.600 2.438 2.372 2.478 . 0 0 "[ . 1]" 1
317 1 9 DA H4' 1 9 DA H5'' 3.200 . 4.600 2.884 2.472 3.040 . 0 0 "[ . 1]" 1
318 1 9 DA H5' 1 9 DA H5'' 2.400 . 3.000 1.775 1.771 1.776 0.029 9 0 "[ . 1]" 1
319 1 9 DA H2'' 1 9 DA H5'' 5.500 3.500 7.500 4.719 4.574 5.067 . 0 0 "[ . 1]" 1
320 1 9 DA H2' 1 9 DA H5'' 5.500 3.500 7.500 3.631 3.374 4.270 0.126 4 0 "[ . 1]" 1
321 1 9 DA H2'' 1 9 DA H5' 5.500 3.500 7.500 5.169 5.038 5.428 . 0 0 "[ . 1]" 1
322 1 9 DA H2' 1 9 DA H5' 5.500 3.500 7.500 4.437 4.335 4.636 . 0 0 "[ . 1]" 1
323 1 9 DA H2'' 1 9 DA H8 3.200 . 4.600 3.267 2.988 3.346 . 0 0 "[ . 1]" 1
324 1 9 DA H2' 1 9 DA H8 3.200 . 4.600 2.129 2.125 2.139 . 0 0 "[ . 1]" 1
325 1 9 DA H2 1 9 DA H2'' 5.500 3.500 7.500 6.588 6.554 6.660 . 0 0 "[ . 1]" 1
326 1 9 DA H2 1 9 DA H2' 5.500 3.500 7.500 6.967 6.955 6.978 . 0 0 "[ . 1]" 1
327 1 9 DA H1' 1 9 DA H2 5.500 3.500 7.500 4.591 4.550 4.716 . 0 0 "[ . 1]" 1
328 1 9 DA H2'' 1 10 DT H6 3.000 2.250 3.750 2.591 2.496 2.673 . 0 0 "[ . 1]" 1
329 1 9 DA H2' 1 10 DT H6 3.800 2.850 4.750 3.937 3.855 4.176 . 0 0 "[ . 1]" 1
330 1 9 DA H1' 1 10 DT C7 6.000 4.500 8.000 5.196 5.173 5.212 . 0 0 "[ . 1]" 1
331 1 9 DA H8 1 10 DT H1' 5.500 3.500 7.500 6.239 6.005 6.335 . 0 0 "[ . 1]" 1
332 1 9 DA H2'' 1 10 DT H1' 6.000 4.500 7.500 4.998 4.949 5.058 . 0 0 "[ . 1]" 1
333 1 9 DA H2' 1 10 DT C7 4.800 3.600 6.500 4.075 3.919 4.325 . 0 0 "[ . 1]" 1
334 1 9 DA H2'' 1 10 DT C7 3.800 2.850 5.250 3.797 3.620 3.861 . 0 0 "[ . 1]" 1
335 1 9 DA H2'' 1 10 DT H2' 6.000 4.500 7.500 4.433 4.417 4.456 0.083 6 0 "[ . 1]" 1
336 1 9 DA H3' 1 10 DT H6 4.800 3.600 6.000 5.485 5.313 5.622 . 0 0 "[ . 1]" 1
337 1 9 DA H1' 1 10 DT H3' 6.000 4.500 7.500 4.897 4.824 4.968 . 0 0 "[ . 1]" 1
338 1 9 DA H3' 1 10 DT C7 4.800 3.600 6.500 6.131 5.866 6.291 . 0 0 "[ . 1]" 1
339 1 9 DA H8 1 10 DT H4' 5.500 3.500 7.500 7.093 6.923 7.152 . 0 0 "[ . 1]" 1
340 1 9 DA H1' 1 10 DT H4' 3.800 2.850 4.750 3.504 3.362 3.560 . 0 0 "[ . 1]" 1
341 1 9 DA H1' 1 10 DT H6 4.800 3.600 6.000 3.555 3.530 3.575 0.070 9 0 "[ . 1]" 1
342 1 9 DA H2 1 10 DT H4' 5.500 3.500 7.500 5.157 5.085 5.330 . 0 0 "[ . 1]" 1
343 1 9 DA H8 1 10 DT H5' 5.500 3.500 7.500 6.351 6.300 6.372 . 0 0 "[ . 1]" 1
344 1 9 DA H8 1 10 DT H5'' 5.500 3.500 7.500 7.449 7.321 7.491 . 0 0 "[ . 1]" 1
345 1 9 DA H1' 1 10 DT Q5' 4.800 3.600 6.500 2.783 2.763 2.803 0.837 5 10 [****+***-*] 1
346 1 9 DA H2'' 1 10 DT H4' 6.000 4.500 7.500 4.750 4.717 4.790 . 0 0 "[ . 1]" 1
347 1 9 DA H8 1 10 DT H6 5.500 3.500 7.500 4.241 4.151 4.285 . 0 0 "[ . 1]" 1
348 1 9 DA H1' 1 10 DT H1' 4.800 3.600 6.000 3.834 3.683 3.901 . 0 0 "[ . 1]" 1
349 1 9 DA H2 1 10 DT H1' 5.500 3.500 7.500 3.732 3.638 4.013 . 0 0 "[ . 1]" 1
350 1 9 DA H8 1 10 DT C7 5.500 3.500 8.000 3.454 3.438 3.496 0.062 9 0 "[ . 1]" 1
351 1 9 DA H2 1 10 DT C7 5.500 3.500 8.000 7.630 7.513 7.981 . 0 0 "[ . 1]" 1
352 1 9 DA H2'' 1 11 DT C7 6.000 4.500 8.000 6.726 6.609 6.851 . 0 0 "[ . 1]" 1
353 1 9 DA H2 1 11 DT H4' 5.500 3.500 7.500 5.782 5.465 6.056 . 0 0 "[ . 1]" 1
354 1 9 DA H2 1 11 DT Q5' 6.000 4.500 8.000 5.059 4.832 5.236 . 0 0 "[ . 1]" 1
355 1 10 DT C7 1 10 DT H6 2.400 . 3.500 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
356 1 10 DT H2' 1 10 DT H6 2.400 . 3.000 2.284 2.201 2.309 . 0 0 "[ . 1]" 1
357 1 10 DT H2'' 1 10 DT H6 3.000 2.250 3.750 3.757 3.720 3.772 0.022 10 0 "[ . 1]" 1
358 1 10 DT C7 1 10 DT H1' 6.000 4.500 8.000 5.831 5.830 5.833 . 0 0 "[ . 1]" 1
359 1 10 DT H1' 1 10 DT H2' 3.800 2.850 4.750 3.008 3.004 3.013 . 0 0 "[ . 1]" 1
360 1 10 DT H1' 1 10 DT H2'' 3.000 2.250 3.750 2.261 2.237 2.345 0.013 2 0 "[ . 1]" 1
361 1 10 DT C7 1 10 DT H2'' 6.000 4.500 8.000 5.937 5.922 5.953 . 0 0 "[ . 1]" 1
362 1 10 DT H2' 1 10 DT H2'' 2.400 . 3.000 1.790 1.789 1.791 0.011 10 0 "[ . 1]" 1
363 1 10 DT C7 1 10 DT H2' 4.800 3.600 6.500 4.589 4.554 4.610 . 0 0 "[ . 1]" 1
364 1 10 DT H3' 1 10 DT H6 3.800 2.850 4.750 3.719 3.645 3.796 . 0 0 "[ . 1]" 1
365 1 10 DT H1' 1 10 DT H3' 4.800 3.600 6.000 3.886 3.874 3.897 . 0 0 "[ . 1]" 1
366 1 10 DT H2' 1 10 DT H3' 3.000 2.250 3.750 2.294 2.288 2.303 . 0 0 "[ . 1]" 1
367 1 10 DT H2'' 1 10 DT H3' 3.000 2.250 3.750 2.940 2.845 2.966 . 0 0 "[ . 1]" 1
368 1 10 DT H4' 1 10 DT H6 4.800 3.600 6.000 4.599 4.573 4.634 . 0 0 "[ . 1]" 1
369 1 10 DT H1' 1 10 DT H6 3.800 2.850 4.750 3.730 3.728 3.732 . 0 0 "[ . 1]" 1
370 1 10 DT H1' 1 10 DT H4' 3.800 2.850 4.750 2.869 2.845 2.928 0.005 2 0 "[ . 1]" 1
371 1 10 DT H3' 1 10 DT H4' 3.200 . 4.600 2.930 2.906 2.943 . 0 0 "[ . 1]" 1
372 1 10 DT H5' 1 10 DT H6 5.500 3.500 7.500 4.602 4.499 4.639 . 0 0 "[ . 1]" 1
373 1 10 DT H5'' 1 10 DT H6 5.500 3.500 7.500 4.715 4.620 4.753 . 0 0 "[ . 1]" 1
374 1 10 DT H2' 1 10 DT H4' 4.800 3.600 6.000 3.906 3.902 3.909 . 0 0 "[ . 1]" 1
375 1 10 DT H2'' 1 10 DT H4' 4.800 3.600 6.000 3.720 3.674 3.787 . 0 0 "[ . 1]" 1
376 1 10 DT H3' 1 10 DT H5' 3.200 . 4.600 3.625 3.606 3.634 . 0 0 "[ . 1]" 1
377 1 10 DT H3' 1 10 DT H5'' 3.200 . 4.600 2.428 2.349 2.471 . 0 0 "[ . 1]" 1
378 1 10 DT H4' 1 10 DT H5'' 2.400 . 3.000 2.569 2.556 2.595 . 0 0 "[ . 1]" 1
379 1 10 DT H4' 1 10 DT H5' 2.400 . 3.000 2.362 2.341 2.372 . 0 0 "[ . 1]" 1
380 1 10 DT C7 1 11 DT H6 6.000 4.500 8.000 6.486 6.374 6.580 . 0 0 "[ . 1]" 1
381 1 10 DT H2' 1 11 DT H6 3.800 2.850 4.750 3.415 3.308 3.544 . 0 0 "[ . 1]" 1
382 1 10 DT H2'' 1 11 DT H6 3.200 . 4.600 2.269 2.206 2.314 . 0 0 "[ . 1]" 1
383 1 10 DT H6 1 11 DT C7 3.000 2.250 4.250 4.154 4.027 4.272 0.022 6 0 "[ . 1]" 1
384 1 10 DT H1' 1 11 DT C7 4.800 3.600 6.500 4.891 4.787 5.055 . 0 0 "[ . 1]" 1
385 1 10 DT H2'' 1 11 DT C7 3.200 . 5.100 3.663 3.583 3.761 . 0 0 "[ . 1]" 1
386 1 10 DT H2' 1 11 DT C7 3.000 2.250 4.250 3.437 3.357 3.508 . 0 0 "[ . 1]" 1
387 1 10 DT H3' 1 11 DT H6 4.800 3.600 6.000 5.048 4.993 5.083 . 0 0 "[ . 1]" 1
388 1 10 DT H1' 1 11 DT H6 3.800 2.850 4.750 3.723 3.580 3.836 . 0 0 "[ . 1]" 1
389 1 10 DT H3' 1 11 DT C7 5.500 3.500 8.000 5.622 5.556 5.672 . 0 0 "[ . 1]" 1
390 1 10 DT H4' 1 11 DT H6 6.000 4.500 7.500 5.878 5.808 5.943 . 0 0 "[ . 1]" 1
391 1 10 DT H1' 1 11 DT H4' 6.000 4.500 7.500 4.572 4.474 4.679 0.026 3 0 "[ . 1]" 1
392 1 10 DT C7 1 11 DT C7 3.000 2.250 4.750 4.597 4.414 4.763 0.013 3 0 "[ . 1]" 1
393 1 10 DT H4' 1 11 DT C7 6.000 4.500 8.000 7.006 6.941 7.119 . 0 0 "[ . 1]" 1
394 1 10 DT H1' 1 11 DT Q5' 3.800 2.850 5.250 2.914 2.834 3.017 0.016 9 0 "[ . 1]" 1
395 1 11 DT C7 1 11 DT H6 2.400 . 3.500 2.660 2.658 2.661 . 0 0 "[ . 1]" 1
396 1 11 DT H2' 1 11 DT H6 2.400 . 3.000 2.328 2.285 2.372 . 0 0 "[ . 1]" 1
397 1 11 DT H2'' 1 11 DT H6 3.200 . 4.600 3.853 3.814 3.896 . 0 0 "[ . 1]" 1
398 1 11 DT C7 1 11 DT H1' 6.000 4.500 8.000 5.830 5.828 5.832 . 0 0 "[ . 1]" 1
399 1 11 DT H1' 1 11 DT H2' 3.000 2.250 3.750 3.026 3.025 3.027 . 0 0 "[ . 1]" 1
400 1 11 DT H1' 1 11 DT H2'' 3.000 2.250 3.750 2.473 2.434 2.495 . 0 0 "[ . 1]" 1
401 1 11 DT H2' 1 11 DT H2'' 2.400 . 3.000 1.791 1.791 1.793 0.009 5 0 "[ . 1]" 1
402 1 11 DT C7 1 11 DT H2' 4.800 3.600 6.500 4.667 4.644 4.699 . 0 0 "[ . 1]" 1
403 1 11 DT H3' 1 11 DT H6 3.800 2.850 4.750 4.064 4.043 4.097 . 0 0 "[ . 1]" 1
404 1 11 DT H1' 1 11 DT H3' 4.800 3.600 6.000 3.822 3.815 3.825 . 0 0 "[ . 1]" 1
405 1 11 DT C7 1 11 DT H3' 6.000 4.500 8.000 6.649 6.627 6.679 . 0 0 "[ . 1]" 1
406 1 11 DT H2' 1 11 DT H3' 3.000 2.250 3.750 2.330 2.326 2.336 . 0 0 "[ . 1]" 1
407 1 11 DT H2'' 1 11 DT H3' 3.000 2.250 3.750 2.669 2.636 2.727 . 0 0 "[ . 1]" 1
408 1 11 DT H1' 1 11 DT H6 3.800 2.850 4.750 3.728 3.725 3.731 . 0 0 "[ . 1]" 1
409 1 11 DT H4' 1 11 DT H6 4.800 3.600 6.000 4.569 4.546 4.590 . 0 0 "[ . 1]" 1
410 1 11 DT H1' 1 11 DT H4' 3.800 2.850 4.750 2.986 2.963 3.015 . 0 0 "[ . 1]" 1
411 1 11 DT H3' 1 11 DT H4' 3.000 2.250 3.750 2.859 2.848 2.867 . 0 0 "[ . 1]" 1
412 1 11 DT C7 1 11 DT H4' 6.000 4.500 8.000 7.121 7.102 7.139 . 0 0 "[ . 1]" 1
413 1 11 DT H2' 1 11 DT H4' 4.800 3.600 6.000 3.865 3.859 3.869 . 0 0 "[ . 1]" 1
414 1 11 DT H2'' 1 11 DT H4' 3.800 2.850 4.750 3.882 3.864 3.906 . 0 0 "[ . 1]" 1
415 1 11 DT Q5' 1 11 DT H6 3.800 2.850 5.250 3.893 3.852 3.936 . 0 0 "[ . 1]" 1
416 1 11 DT H3' 1 11 DT Q5' 3.200 . 5.100 2.475 2.456 2.494 . 0 0 "[ . 1]" 1
417 1 11 DT H4' 1 11 DT Q5' 2.400 . 3.500 2.188 2.188 2.189 . 0 0 "[ . 1]" 1
418 1 11 DT C7 1 12 DC H6 6.000 4.500 8.000 6.028 5.947 6.089 . 0 0 "[ . 1]" 1
419 1 11 DT H2' 1 12 DC H6 3.800 2.850 4.750 3.208 3.180 3.235 . 0 0 "[ . 1]" 1
420 1 11 DT H2'' 1 12 DC H6 3.000 2.250 3.750 2.221 2.207 2.237 0.043 5 0 "[ . 1]" 1
421 1 11 DT H1' 1 12 DC H2' 6.000 4.500 7.500 5.060 4.978 5.124 . 0 0 "[ . 1]" 1
422 1 11 DT H1' 1 12 DC H2'' 6.000 4.500 7.500 6.312 6.191 6.417 . 0 0 "[ . 1]" 1
423 1 11 DT C7 1 12 DC H5 4.800 3.600 6.500 4.194 4.019 4.340 . 0 0 "[ . 1]" 1
424 1 11 DT H2' 1 12 DC H5 3.800 2.850 4.750 3.351 3.297 3.443 . 0 0 "[ . 1]" 1
425 1 11 DT H2'' 1 12 DC H5 5.500 3.500 7.500 3.674 3.622 3.741 . 0 0 "[ . 1]" 1
426 1 11 DT H3' 1 12 DC H6 4.800 3.600 6.000 4.805 4.769 4.863 . 0 0 "[ . 1]" 1
427 1 11 DT H3' 1 12 DC H5 6.000 4.500 7.500 5.563 5.508 5.703 . 0 0 "[ . 1]" 1
428 1 11 DT H1' 1 12 DC H6 4.800 3.600 6.000 3.571 3.555 3.585 0.045 9 0 "[ . 1]" 1
429 1 11 DT H6 1 12 DC H5 3.800 2.850 4.750 3.786 3.699 3.877 . 0 0 "[ . 1]" 1
430 1 11 DT H4' 1 12 DC H6 6.000 4.500 7.500 5.899 5.876 5.932 . 0 0 "[ . 1]" 1
431 1 11 DT H2'' 1 12 DC H4' 4.800 3.600 6.000 4.875 4.813 4.943 . 0 0 "[ . 1]" 1
432 1 11 DT H6 1 12 DC H6 4.800 3.600 6.000 4.666 4.623 4.719 . 0 0 "[ . 1]" 1
433 1 11 DT H1' 1 12 DC H1' 6.000 4.500 7.500 5.094 4.944 5.304 . 0 0 "[ . 1]" 1
434 1 11 DT H1' 1 12 DC H5 4.800 3.600 6.000 4.744 4.628 4.852 . 0 0 "[ . 1]" 1
435 1 12 DC H2' 1 12 DC H6 2.400 . 3.000 2.289 2.235 2.361 . 0 0 "[ . 1]" 1
436 1 12 DC H2'' 1 12 DC H6 3.800 2.850 4.750 3.879 3.822 3.945 . 0 0 "[ . 1]" 1
437 1 12 DC H2' 1 12 DC H5 5.500 3.500 7.500 4.434 4.405 4.465 . 0 0 "[ . 1]" 1
438 1 12 DC H2'' 1 12 DC H5 4.800 3.600 6.000 5.834 5.779 5.883 . 0 0 "[ . 1]" 1
439 1 12 DC H1' 1 12 DC H2' 3.000 2.250 3.750 3.027 3.026 3.029 . 0 0 "[ . 1]" 1
440 1 12 DC H1' 1 12 DC H2'' 2.400 . 3.000 2.586 2.575 2.599 . 0 0 "[ . 1]" 1
441 1 12 DC H2' 1 12 DC H2'' 2.400 . 3.000 1.792 1.792 1.793 0.008 4 0 "[ . 1]" 1
442 1 12 DC H3' 1 12 DC H6 3.800 2.850 4.750 4.106 4.095 4.121 . 0 0 "[ . 1]" 1
443 1 12 DC H1' 1 12 DC H6 4.800 3.600 6.000 3.732 3.729 3.734 . 0 0 "[ . 1]" 1
444 1 12 DC H1' 1 12 DC H3' 3.000 2.250 3.750 3.797 3.789 3.805 0.055 4 0 "[ . 1]" 1
445 1 12 DC H5 1 12 DC H6 2.400 . 3.000 2.451 2.450 2.452 . 0 0 "[ . 1]" 1
446 1 12 DC H2' 1 12 DC H3' 3.000 2.250 3.750 2.332 2.325 2.336 . 0 0 "[ . 1]" 1
447 1 12 DC H2'' 1 12 DC H3' 3.000 2.250 3.750 2.469 2.436 2.497 . 0 0 "[ . 1]" 1
448 1 12 DC H4' 1 12 DC H6 4.800 3.600 6.000 4.626 4.600 4.658 . 0 0 "[ . 1]" 1
449 1 12 DC H1' 1 12 DC H4' 3.200 . 4.600 2.948 2.915 2.972 . 0 0 "[ . 1]" 1
450 1 12 DC H3' 1 12 DC H4' 3.000 2.250 3.750 2.860 2.852 2.874 . 0 0 "[ . 1]" 1
451 1 12 DC H2' 1 12 DC H4' 4.800 3.600 6.000 3.854 3.849 3.864 . 0 0 "[ . 1]" 1
452 1 12 DC H2'' 1 12 DC H4' 4.800 3.600 6.000 3.804 3.773 3.821 . 0 0 "[ . 1]" 1
453 1 12 DC H5' 1 12 DC H6 4.800 3.600 6.000 4.224 4.209 4.245 . 0 0 "[ . 1]" 1
454 1 12 DC H5'' 1 12 DC H6 4.800 3.600 6.000 4.828 4.786 4.907 . 0 0 "[ . 1]" 1
455 1 12 DC H2' 1 13 DG H8 3.800 2.850 4.750 2.912 2.823 3.137 0.027 9 0 "[ . 1]" 1
456 1 12 DC H2'' 1 13 DG H8 3.000 2.250 3.750 2.194 2.189 2.200 0.061 5 0 "[ . 1]" 1
457 1 12 DC H1' 1 13 DG H8 3.800 2.850 4.750 3.362 3.226 3.572 . 0 0 "[ . 1]" 1
458 1 12 DC H5 1 13 DG H8 6.000 4.500 7.500 5.343 5.026 5.733 . 0 0 "[ . 1]" 1
459 1 12 DC H2'' 1 13 DG H2' 5.500 3.500 7.500 3.701 3.519 3.925 . 0 0 "[ . 1]" 1
460 1 12 DC H3' 1 13 DG H8 3.800 2.850 4.750 4.553 4.533 4.593 . 0 0 "[ . 1]" 1
461 1 12 DC H2'' 1 13 DG H3' 6.000 4.500 7.500 4.647 4.442 4.983 0.058 2 0 "[ . 1]" 1
462 1 12 DC H4' 1 13 DG H8 4.800 3.600 6.000 5.640 5.559 5.727 . 0 0 "[ . 1]" 1
463 1 12 DC H1' 1 13 DG H4' 6.000 4.500 7.500 5.022 4.908 5.162 . 0 0 "[ . 1]" 1
464 1 12 DC H2'' 1 13 DG H4' 4.800 3.600 6.000 5.127 5.029 5.268 . 0 0 "[ . 1]" 1
465 1 12 DC H1' 1 13 DG H5' 4.800 3.600 6.000 3.499 3.480 3.527 0.120 4 0 "[ . 1]" 1
466 1 12 DC H1' 1 13 DG H5'' 4.800 3.600 6.000 5.012 5.000 5.028 . 0 0 "[ . 1]" 1
467 1 12 DC H2'' 1 13 DG Q5' 5.500 3.500 8.000 3.500 3.427 3.605 0.073 4 0 "[ . 1]" 1
468 1 12 DC H6 1 13 DG H8 4.800 3.600 6.000 4.254 3.972 4.593 . 0 0 "[ . 1]" 1
469 1 12 DC H2' 1 13 DG Q5' 6.000 4.500 8.000 4.999 4.937 5.066 . 0 0 "[ . 1]" 1
470 1 13 DG H2' 1 13 DG H8 2.400 . 3.000 2.534 2.514 2.557 . 0 0 "[ . 1]" 1
471 1 13 DG H2'' 1 13 DG H8 3.000 2.250 3.750 3.787 3.771 3.801 0.051 10 0 "[ . 1]" 1
472 1 13 DG H1' 1 13 DG H2' 3.000 2.250 3.750 3.027 3.026 3.028 . 0 0 "[ . 1]" 1
473 1 13 DG H1' 1 13 DG H2'' 2.400 . 3.000 2.196 2.193 2.198 . 0 0 "[ . 1]" 1
474 1 13 DG H1' 1 13 DG H8 3.800 2.850 4.750 3.913 3.912 3.915 . 0 0 "[ . 1]" 1
475 1 13 DG H2' 1 13 DG H2'' 2.400 . 3.000 1.792 1.792 1.793 0.008 7 0 "[ . 1]" 1
476 1 13 DG H3' 1 13 DG H8 3.800 2.850 4.750 4.412 4.393 4.439 . 0 0 "[ . 1]" 1
477 1 13 DG H1' 1 13 DG H3' 4.800 3.600 6.000 3.811 3.809 3.815 . 0 0 "[ . 1]" 1
478 1 13 DG H2' 1 13 DG H3' 3.200 . 4.600 2.336 2.332 2.344 . 0 0 "[ . 1]" 1
479 1 13 DG H2'' 1 13 DG H3' 3.200 . 4.600 2.982 2.974 2.989 . 0 0 "[ . 1]" 1
480 1 13 DG H4' 1 13 DG H8 4.800 3.600 6.000 4.905 4.881 4.921 . 0 0 "[ . 1]" 1
481 1 13 DG H1' 1 13 DG H4' 3.800 2.850 4.750 2.988 2.956 3.045 . 0 0 "[ . 1]" 1
482 1 13 DG H3' 1 13 DG H4' 3.000 2.250 3.750 2.854 2.837 2.863 . 0 0 "[ . 1]" 1
483 1 13 DG H2' 1 13 DG H4' 4.800 3.600 6.000 3.855 3.849 3.859 . 0 0 "[ . 1]" 1
484 1 13 DG H2'' 1 13 DG H4' 4.800 3.600 6.000 3.964 3.944 4.000 . 0 0 "[ . 1]" 1
485 1 13 DG H5' 1 13 DG H8 4.800 3.600 6.000 4.501 4.458 4.535 . 0 0 "[ . 1]" 1
486 1 13 DG H5'' 1 13 DG H8 4.800 3.600 6.000 5.066 4.949 5.121 . 0 0 "[ . 1]" 1
487 1 13 DG H1' 1 13 DG Q5' 6.000 4.500 8.000 4.228 4.217 4.251 0.283 2 0 "[ . 1]" 1
488 1 13 DG H3' 1 13 DG Q5' 3.200 . 5.100 2.453 2.403 2.495 . 0 0 "[ . 1]" 1
489 1 13 DG H4' 1 13 DG H5' 2.400 . 3.000 2.436 2.413 2.459 . 0 0 "[ . 1]" 1
490 1 13 DG H4' 1 13 DG H5'' 2.400 . 3.000 2.478 2.455 2.504 . 0 0 "[ . 1]" 1
491 1 13 DG H2' 1 13 DG Q5' 4.800 3.600 6.500 3.765 3.691 3.801 . 0 0 "[ . 1]" 1
492 1 13 DG H2'' 1 13 DG Q5' 6.000 4.500 8.000 4.610 4.581 4.623 . 0 0 "[ . 1]" 1
493 1 13 DG H2' 1 14 DC H6 3.800 2.850 4.750 3.878 3.789 3.968 . 0 0 "[ . 1]" 1
494 1 13 DG H2'' 1 14 DC H6 3.000 2.250 3.750 2.408 2.371 2.465 . 0 0 "[ . 1]" 1
495 1 13 DG H8 1 14 DC H5 3.800 2.850 4.750 4.587 4.373 4.757 0.007 5 0 "[ . 1]" 1
496 1 13 DG H1' 1 14 DC H2' 6.000 4.500 7.500 5.570 5.345 5.710 . 0 0 "[ . 1]" 1
497 1 13 DG H2'' 1 14 DC H1' 6.000 4.500 7.500 5.435 5.379 5.530 . 0 0 "[ . 1]" 1
498 1 13 DG H2'' 1 14 DC H5 3.800 2.850 4.750 3.607 3.502 3.712 . 0 0 "[ . 1]" 1
499 1 13 DG H2'' 1 14 DC H2' 6.000 4.500 7.500 4.446 4.434 4.461 0.066 9 0 "[ . 1]" 1
500 1 13 DG H3' 1 14 DC H6 4.800 3.600 6.000 5.262 5.232 5.303 . 0 0 "[ . 1]" 1
501 1 13 DG H4' 1 14 DC H6 6.000 4.500 7.500 6.162 6.092 6.233 . 0 0 "[ . 1]" 1
502 1 13 DG H1' 1 14 DC H6 3.800 2.850 4.750 3.708 3.555 3.796 . 0 0 "[ . 1]" 1
503 1 13 DG H1' 1 14 DC H4' 4.800 3.600 6.000 4.710 4.467 4.927 . 0 0 "[ . 1]" 1
504 1 13 DG H8 1 14 DC H6 4.800 3.600 6.000 5.323 5.179 5.447 . 0 0 "[ . 1]" 1
505 1 13 DG H1' 1 14 DC Q5' 3.800 2.850 5.250 2.991 2.776 3.169 0.074 5 0 "[ . 1]" 1
506 1 13 DG H1' 1 14 DC H5 4.800 3.600 6.000 4.876 4.810 4.951 . 0 0 "[ . 1]" 1
507 1 14 DC H2' 1 14 DC H6 2.400 . 3.000 2.521 2.477 2.571 . 0 0 "[ . 1]" 1
508 1 14 DC H2'' 1 14 DC H6 3.800 2.850 4.750 4.007 3.974 4.044 . 0 0 "[ . 1]" 1
509 1 14 DC H1' 1 14 DC H2' 3.000 2.250 3.750 3.019 3.013 3.025 . 0 0 "[ . 1]" 1
510 1 14 DC H1' 1 14 DC H2'' 2.400 . 3.000 2.439 2.425 2.458 . 0 0 "[ . 1]" 1
511 1 14 DC H2' 1 14 DC H5 4.800 3.600 6.000 4.515 4.490 4.555 . 0 0 "[ . 1]" 1
512 1 14 DC H2'' 1 14 DC H5 6.000 4.500 7.500 5.839 5.810 5.879 . 0 0 "[ . 1]" 1
513 1 14 DC H2' 1 14 DC H2'' 2.400 . 3.000 1.791 1.790 1.792 0.010 9 0 "[ . 1]" 1
514 1 14 DC H3' 1 14 DC H6 3.800 2.850 4.750 4.012 3.882 4.127 . 0 0 "[ . 1]" 1
515 1 14 DC H1' 1 14 DC H3' 3.000 2.250 3.750 3.836 3.819 3.852 0.102 2 0 "[ . 1]" 1
516 1 14 DC H2' 1 14 DC H3' 3.000 2.250 3.750 2.306 2.291 2.322 . 0 0 "[ . 1]" 1
517 1 14 DC H2'' 1 14 DC H3' 3.000 2.250 3.750 2.739 2.693 2.773 . 0 0 "[ . 1]" 1
518 1 14 DC H4' 1 14 DC H6 4.800 3.600 6.000 4.535 4.511 4.554 . 0 0 "[ . 1]" 1
519 1 14 DC H5 1 14 DC H6 2.400 . 3.000 2.451 2.450 2.452 . 0 0 "[ . 1]" 1
520 1 14 DC H1' 1 14 DC H4' 3.000 2.250 3.750 2.843 2.755 2.938 . 0 0 "[ . 1]" 1
521 1 14 DC H1' 1 14 DC H6 4.800 3.600 6.000 3.720 3.715 3.722 . 0 0 "[ . 1]" 1
522 1 14 DC H3' 1 14 DC H4' 3.000 2.250 3.750 2.910 2.874 2.944 . 0 0 "[ . 1]" 1
523 1 14 DC H2' 1 14 DC H4' 4.800 3.600 6.000 3.882 3.872 3.888 . 0 0 "[ . 1]" 1
524 1 14 DC H2'' 1 14 DC H4' 5.500 3.500 7.500 3.759 3.649 3.857 . 0 0 "[ . 1]" 1
525 1 14 DC H5' 1 14 DC H6 4.800 3.600 6.000 4.240 4.133 4.342 . 0 0 "[ . 1]" 1
526 1 14 DC H5'' 1 14 DC H6 4.800 3.600 6.000 4.827 4.709 4.943 . 0 0 "[ . 1]" 1
527 1 14 DC H3' 1 14 DC Q5' 3.000 2.250 4.250 2.517 2.455 2.590 . 0 0 "[ . 1]" 1
528 1 14 DC H2' 1 15 DG H8 3.800 2.850 4.750 3.396 3.157 3.624 . 0 0 "[ . 1]" 1
529 1 14 DC H2'' 1 15 DG H8 3.200 . 4.600 2.187 2.185 2.192 . 0 0 "[ . 1]" 1
530 1 14 DC H1' 1 15 DG H8 4.800 3.600 6.000 3.892 3.716 4.015 . 0 0 "[ . 1]" 1
531 1 14 DC H1' 1 15 DG H2' 6.000 4.500 7.500 5.277 5.172 5.390 . 0 0 "[ . 1]" 1
532 1 14 DC H3' 1 15 DG H8 3.800 2.850 4.750 4.736 4.666 4.775 0.025 10 0 "[ . 1]" 1
533 1 14 DC H6 1 15 DG H8 5.500 3.500 7.500 5.399 5.233 5.562 . 0 0 "[ . 1]" 1
534 1 14 DC H1' 1 15 DG Q5' 3.800 2.850 5.250 3.018 2.867 3.144 . 0 0 "[ . 1]" 1
535 1 14 DC H6 1 15 DG Q5' 6.000 4.500 8.000 6.238 6.172 6.275 . 0 0 "[ . 1]" 1
536 1 14 DC H2' 1 15 DG Q5' 6.000 4.500 8.000 4.692 4.561 4.829 . 0 0 "[ . 1]" 1
537 1 14 DC H2'' 1 15 DG Q5' 5.500 3.500 8.000 3.241 3.044 3.457 0.456 9 0 "[ . 1]" 1
538 1 15 DG H2'' 1 15 DG H8 3.200 . 4.600 3.761 3.736 3.790 . 0 0 "[ . 1]" 1
539 1 15 DG H2' 1 15 DG H8 2.400 . 3.000 2.324 2.298 2.353 . 0 0 "[ . 1]" 1
540 1 15 DG H1' 1 15 DG H8 3.800 2.850 4.750 3.909 3.906 3.912 . 0 0 "[ . 1]" 1
541 1 15 DG H1' 1 15 DG H2'' 2.400 . 3.000 2.432 2.423 2.438 . 0 0 "[ . 1]" 1
542 1 15 DG H1' 1 15 DG H2' 2.400 . 3.000 3.027 3.025 3.028 0.028 8 0 "[ . 1]" 1
543 1 15 DG H2' 1 15 DG H2'' 2.400 . 3.000 1.794 1.793 1.795 0.007 7 0 "[ . 1]" 1
544 1 15 DG H3' 1 15 DG H8 3.800 2.850 4.750 4.413 4.385 4.436 . 0 0 "[ . 1]" 1
545 1 15 DG H1' 1 15 DG H3' 3.000 2.250 3.750 3.792 3.782 3.803 0.053 1 0 "[ . 1]" 1
546 1 15 DG H2'' 1 15 DG H3' 2.400 . 3.000 2.668 2.650 2.684 . 0 0 "[ . 1]" 1
547 1 15 DG H2' 1 15 DG H3' 2.400 . 3.000 2.357 2.356 2.359 . 0 0 "[ . 1]" 1
548 1 15 DG H4' 1 15 DG H8 4.800 3.600 6.000 4.902 4.860 4.934 . 0 0 "[ . 1]" 1
549 1 15 DG H1' 1 15 DG H4' 3.800 2.850 4.750 3.308 3.259 3.360 . 0 0 "[ . 1]" 1
550 1 15 DG H3' 1 15 DG H4' 3.000 2.250 3.750 2.750 2.738 2.762 . 0 0 "[ . 1]" 1
551 1 15 DG H2'' 1 15 DG H4' 5.500 3.500 7.500 4.081 4.071 4.089 . 0 0 "[ . 1]" 1
552 1 15 DG H2' 1 15 DG H4' 4.800 3.600 6.000 3.783 3.779 3.789 . 0 0 "[ . 1]" 1
553 1 15 DG Q5' 1 15 DG H8 3.800 2.850 5.250 3.880 3.789 3.957 . 0 0 "[ . 1]" 1
554 1 15 DG H1' 1 15 DG Q5' 4.800 3.600 6.500 4.282 4.273 4.291 . 0 0 "[ . 1]" 1
555 1 15 DG H3' 1 15 DG Q5' 3.000 2.250 4.250 2.432 2.420 2.441 . 0 0 "[ . 1]" 1
556 1 15 DG H4' 1 15 DG Q5' 2.400 . 3.500 2.190 2.189 2.191 . 0 0 "[ . 1]" 1
557 1 15 DG H2'' 1 15 DG Q5' 5.500 3.500 8.000 4.384 4.355 4.409 . 0 0 "[ . 1]" 1
558 1 15 DG H2' 1 15 DG Q5' 4.800 3.600 6.500 3.394 3.349 3.434 0.251 4 0 "[ . 1]" 1
559 1 4 DG H1 1 11 DT H3 3.200 2.400 4.000 4.080 4.060 4.107 0.107 4 0 "[ . 1]" 1
560 1 10 DT H3 1 11 DT H3 3.200 2.400 4.000 4.103 4.086 4.116 0.116 6 0 "[ . 1]" 1
561 1 2 DG H1 1 13 DG H1 3.200 2.400 4.000 4.056 4.036 4.083 0.083 4 0 "[ . 1]" 1
562 1 4 DG H1 1 13 DG H1 3.200 2.400 4.000 3.255 3.218 3.295 . 0 0 "[ . 1]" 1
563 1 11 DT H3 1 12 DC H1' 6.000 4.200 7.800 4.983 4.675 5.353 . 0 0 "[ . 1]" 1
564 1 11 DT H3 1 12 DC H5 5.000 3.600 6.400 4.384 4.023 4.683 . 0 0 "[ . 1]" 1
565 1 11 DT H3 1 12 DC H42 5.000 3.600 6.400 4.296 3.857 4.686 . 0 0 "[ . 1]" 1
566 1 5 DA H2 1 11 DT H3 2.500 . 3.200 2.670 2.568 2.817 . 0 0 "[ . 1]" 1
567 1 6 DA H2 1 11 DT H3 3.200 2.400 4.000 3.611 3.431 3.815 . 0 0 "[ . 1]" 1
568 1 11 DT H3 1 12 DC H41 4.200 3.000 5.400 3.928 3.626 4.219 . 0 0 "[ . 1]" 1
569 1 10 DT H1' 1 10 DT H3 6.000 4.200 7.800 4.467 4.465 4.469 . 0 0 "[ . 1]" 1
570 1 10 DT H3 1 11 DT H6 5.000 3.600 6.400 5.196 5.001 5.296 . 0 0 "[ . 1]" 1
571 1 6 DA H2 1 10 DT H3 2.500 . 3.200 2.191 2.184 2.198 . 0 0 "[ . 1]" 1
572 1 9 DA H2 1 10 DT H3 5.800 3.800 7.800 4.667 4.543 5.018 . 0 0 "[ . 1]" 1
573 1 1 DC H5 1 15 DG H1 5.800 3.800 7.800 4.832 4.713 4.939 . 0 0 "[ . 1]" 1
574 1 14 DC H42 1 15 DG H1 5.800 3.800 7.800 6.260 6.056 6.410 . 0 0 "[ . 1]" 1
575 1 1 DC H42 1 15 DG H1 3.150 . 4.500 3.584 3.413 3.762 . 0 0 "[ . 1]" 1
576 1 1 DC H41 1 15 DG H1 3.150 . 4.500 1.985 1.792 2.188 0.008 10 0 "[ . 1]" 1
577 1 14 DC H41 1 15 DG H1 5.800 3.800 7.800 4.940 4.780 5.067 . 0 0 "[ . 1]" 1
578 1 2 DG H1 1 14 DC H5 4.200 3.000 5.400 4.787 4.650 4.864 . 0 0 "[ . 1]" 1
579 1 2 DG H1 1 3 DC H1' 5.000 3.600 6.400 5.585 5.140 5.988 . 0 0 "[ . 1]" 1
580 1 2 DG H1 1 14 DC H1' 5.000 3.600 6.400 5.301 5.219 5.435 . 0 0 "[ . 1]" 1
581 1 2 DG H1 1 2 DG H1' 5.000 3.600 6.400 5.870 5.863 5.874 . 0 0 "[ . 1]" 1
582 1 2 DG H1 1 3 DC H42 5.000 3.600 6.400 4.836 4.488 5.167 . 0 0 "[ . 1]" 1
583 1 2 DG H1 1 14 DC H42 3.200 2.400 4.000 3.633 3.406 3.741 . 0 0 "[ . 1]" 1
584 1 1 DC H42 1 2 DG H1 4.200 3.000 5.400 5.155 5.049 5.325 . 0 0 "[ . 1]" 1
585 1 2 DG H1 1 14 DC H6 5.000 3.600 6.400 5.653 5.622 5.712 . 0 0 "[ . 1]" 1
586 1 1 DC H41 1 2 DG H1 4.200 3.000 5.400 4.085 3.942 4.255 . 0 0 "[ . 1]" 1
587 1 2 DG H1 1 14 DC H41 2.500 . 3.200 2.089 1.835 2.208 . 0 0 "[ . 1]" 1
588 1 3 DC H5 1 13 DG H1 4.200 3.000 5.400 4.864 4.834 4.927 . 0 0 "[ . 1]" 1
589 1 3 DC H1' 1 13 DG H1 5.000 3.600 6.400 5.428 5.313 5.511 . 0 0 "[ . 1]" 1
590 1 13 DG H1 1 14 DC H1' 5.000 3.600 6.400 5.777 5.498 6.014 . 0 0 "[ . 1]" 1
591 1 3 DC H42 1 13 DG H1 3.200 2.400 4.000 3.653 3.609 3.693 . 0 0 "[ . 1]" 1
592 1 13 DG H1 1 14 DC H42 5.000 3.600 6.400 4.773 4.480 5.059 . 0 0 "[ . 1]" 1
593 1 12 DC H42 1 13 DG H1 5.000 3.600 6.400 4.970 4.888 5.107 . 0 0 "[ . 1]" 1
594 1 3 DC H6 1 13 DG H1 6.000 4.200 7.800 5.761 5.690 5.848 . 0 0 "[ . 1]" 1
595 1 3 DC H41 1 13 DG H1 2.500 . 3.200 2.075 2.018 2.143 . 0 0 "[ . 1]" 1
596 1 12 DC H41 1 13 DG H1 5.000 3.600 6.400 3.725 3.644 3.855 . 0 0 "[ . 1]" 1
597 1 4 DG H1 1 12 DC H1' 5.000 3.600 6.400 5.362 5.297 5.466 . 0 0 "[ . 1]" 1
598 1 4 DG H1 1 12 DC H5 4.200 3.000 5.400 5.052 4.927 5.109 . 0 0 "[ . 1]" 1
599 1 3 DC H42 1 4 DG H1 4.200 3.000 5.400 5.483 5.465 5.506 0.106 4 0 "[ . 1]" 1
600 1 4 DG H1 1 12 DC H42 3.200 2.400 4.000 3.889 3.768 3.984 . 0 0 "[ . 1]" 1
601 1 4 DG H1 1 5 DA H2 3.200 2.400 4.000 3.753 3.635 3.923 . 0 0 "[ . 1]" 1
602 1 3 DC H41 1 4 DG H1 4.200 3.000 5.400 4.097 4.069 4.137 . 0 0 "[ . 1]" 1
603 1 4 DG H1 1 12 DC H41 2.500 . 3.200 2.314 2.209 2.420 . 0 0 "[ . 1]" 1
604 1 3 DC H5 1 12 DC H41 5.800 3.800 7.800 6.058 5.881 6.191 . 0 0 "[ . 1]" 1
605 1 12 DC H41 1 12 DC H5 3.150 . 4.500 3.672 3.671 3.674 . 0 0 "[ . 1]" 1
606 1 3 DC H42 1 12 DC H41 3.150 . 4.500 4.124 3.976 4.264 . 0 0 "[ . 1]" 1
607 1 12 DC H41 1 12 DC H42 3.150 . 4.500 1.750 1.749 1.751 0.051 6 0 "[ . 1]" 1
608 1 14 DC H41 1 14 DC H5 3.150 . 4.500 3.672 3.670 3.673 . 0 0 "[ . 1]" 1
609 1 1 DC H5 1 14 DC H41 5.800 3.800 7.800 6.226 6.181 6.281 . 0 0 "[ . 1]" 1
610 1 14 DC H41 1 14 DC H42 3.150 . 4.500 1.750 1.748 1.751 0.052 3 0 "[ . 1]" 1
611 1 1 DC H42 1 14 DC H41 3.150 . 4.500 4.546 4.525 4.611 0.111 10 0 "[ . 1]" 1
612 1 3 DC H41 1 3 DC H5 3.150 . 4.500 3.675 3.674 3.677 . 0 0 "[ . 1]" 1
613 1 3 DC H41 1 12 DC H5 5.800 3.800 7.800 5.829 5.644 5.972 . 0 0 "[ . 1]" 1
614 1 3 DC H41 1 3 DC H42 3.150 . 4.500 1.750 1.749 1.751 0.051 10 0 "[ . 1]" 1
615 1 3 DC H41 1 12 DC H42 3.150 . 4.500 3.902 3.753 4.008 . 0 0 "[ . 1]" 1
616 1 1 DC H41 1 14 DC H5 5.800 3.800 7.800 6.661 6.517 6.807 . 0 0 "[ . 1]" 1
617 1 1 DC H41 1 1 DC H5 3.150 . 4.500 3.672 3.671 3.673 . 0 0 "[ . 1]" 1
618 1 1 DC H41 1 14 DC H42 5.800 3.800 7.800 5.110 4.923 5.251 . 0 0 "[ . 1]" 1
619 1 1 DC H41 1 1 DC H42 3.150 . 4.500 1.750 1.749 1.751 0.051 10 0 "[ . 1]" 1
620 1 2 DG H8 1 3 DC H42 5.800 3.800 7.800 5.672 5.418 5.881 . 0 0 "[ . 1]" 1
621 1 13 DG H8 1 14 DC H42 5.800 3.800 7.800 5.748 5.579 5.895 . 0 0 "[ . 1]" 1
622 1 1 DC H42 1 1 DC H6 5.800 3.800 7.800 4.637 4.635 4.639 . 0 0 "[ . 1]" 1
623 1 12 DC H42 1 12 DC H6 5.800 3.800 7.800 4.637 4.636 4.638 . 0 0 "[ . 1]" 1
624 1 11 DT H6 1 12 DC H42 5.800 3.800 7.800 4.863 4.823 4.919 . 0 0 "[ . 1]" 1
625 1 14 DC H42 1 14 DC H6 5.800 3.800 7.800 4.636 4.634 4.637 . 0 0 "[ . 1]" 1
626 1 3 DC H42 1 3 DC H6 5.800 3.800 7.800 4.639 4.638 4.640 . 0 0 "[ . 1]" 1
627 1 1 DC H42 1 1 DC H5 3.150 . 4.500 2.409 2.408 2.411 . 0 0 "[ . 1]" 1
628 1 1 DC H42 1 14 DC H42 5.800 3.800 7.800 5.169 5.082 5.258 . 0 0 "[ . 1]" 1
629 1 12 DC H42 1 12 DC H5 3.150 . 4.500 2.409 2.408 2.410 . 0 0 "[ . 1]" 1
630 1 3 DC H42 1 12 DC H42 5.800 3.800 7.800 4.405 4.204 4.526 . 0 0 "[ . 1]" 1
631 1 14 DC H42 1 14 DC H5 3.150 . 4.500 2.409 2.408 2.410 . 0 0 "[ . 1]" 1
632 1 3 DC H42 1 3 DC H5 3.150 . 4.500 2.413 2.412 2.415 . 0 0 "[ . 1]" 1
633 1 12 DC H41 1 12 DC H6 5.800 3.800 7.800 5.378 5.377 5.379 . 0 0 "[ . 1]" 1
634 1 5 DA H2 1 12 DC H41 5.800 3.800 7.800 4.986 4.660 5.329 . 0 0 "[ . 1]" 1
635 1 3 DC H41 1 12 DC H41 3.150 . 4.500 3.237 3.112 3.399 . 0 0 "[ . 1]" 1
636 1 14 DC H41 1 14 DC H6 5.800 3.800 7.800 5.378 5.377 5.380 . 0 0 "[ . 1]" 1
637 1 14 DC H41 1 15 DG H8 5.800 3.800 7.800 7.030 6.920 7.171 . 0 0 "[ . 1]" 1
638 1 1 DC H41 1 14 DC H41 3.150 . 4.500 4.160 4.032 4.265 . 0 0 "[ . 1]" 1
639 1 3 DC H41 1 3 DC H6 5.800 3.800 7.800 5.379 5.378 5.380 . 0 0 "[ . 1]" 1
640 1 1 DC H41 1 1 DC H6 5.800 3.800 7.800 5.378 5.377 5.379 . 0 0 "[ . 1]" 1
641 1 11 DT C7 1 11 DT H3 4.200 3.000 5.900 4.601 4.600 4.602 . 0 0 "[ . 1]" 1
642 1 10 DT C7 1 11 DT H3 6.000 4.200 8.300 7.336 7.255 7.453 . 0 0 "[ . 1]" 1
643 1 11 DT H2' 1 11 DT H3 6.000 4.200 7.800 5.600 5.582 5.624 . 0 0 "[ . 1]" 1
644 1 11 DT H2'' 1 11 DT H3 6.000 4.200 7.800 5.658 5.556 5.687 . 0 0 "[ . 1]" 1
645 1 10 DT H3 1 11 DT C7 5.000 3.600 6.900 4.656 4.420 4.838 . 0 0 "[ . 1]" 1
646 1 10 DT C7 1 10 DT H3 5.000 3.600 6.900 4.601 4.600 4.602 . 0 0 "[ . 1]" 1
647 1 10 DT H2' 1 10 DT H3 6.000 4.200 7.800 5.523 5.498 5.580 . 0 0 "[ . 1]" 1
648 1 10 DT H2'' 1 10 DT H3 6.000 4.200 7.800 5.477 5.416 5.607 . 0 0 "[ . 1]" 1
649 1 9 DA H2'' 1 10 DT H3 6.000 4.200 7.800 6.190 5.945 6.277 . 0 0 "[ . 1]" 1
650 1 2 DG H1 1 14 DC H2' 6.000 4.200 7.800 6.285 6.222 6.358 . 0 0 "[ . 1]" 1
651 1 2 DG H1 1 14 DC H2'' 6.000 4.200 7.800 6.271 6.170 6.411 . 0 0 "[ . 1]" 1
652 1 11 DT C7 1 13 DG H1 6.000 4.200 8.300 8.429 8.399 8.456 0.156 4 0 "[ . 1]" 1
653 1 3 DC H2' 1 13 DG H1 6.000 4.200 7.800 6.328 6.190 6.428 . 0 0 "[ . 1]" 1
654 1 3 DC H2'' 1 13 DG H1 6.000 4.200 7.800 6.424 6.209 6.593 . 0 0 "[ . 1]" 1
655 1 4 DG H1 1 11 DT C7 5.000 3.600 6.900 6.747 6.471 6.957 0.057 8 0 "[ . 1]" 1
656 1 4 DG H1 1 12 DC H2' 6.000 4.200 7.800 6.623 6.570 6.657 . 0 0 "[ . 1]" 1
657 1 4 DG H1 1 12 DC H2'' 6.000 4.200 7.800 6.722 6.662 6.794 . 0 0 "[ . 1]" 1
658 1 11 DT C7 1 12 DC H41 3.150 . 5.000 4.835 4.637 5.015 0.015 8 0 "[ . 1]" 1
659 1 11 DT C7 1 12 DC H42 5.800 3.800 8.300 3.766 3.715 3.846 0.085 8 0 "[ . 1]" 1
660 1 7 DG H4' 1 10 DT H3 6.000 4.200 7.800 5.758 5.611 5.889 . 0 0 "[ . 1]" 1
661 1 4 DG H1 1 13 DG H4' 6.000 4.200 7.800 7.331 7.220 7.407 . 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 5
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.533
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0533
_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 6 DA 0.000 0.000 . 0 "[ . 1]"
1 8 DC 0.053 0.053 7 0 "[ . 1]"
1 9 DA 0.053 0.053 7 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 6 DA H2 1 9 DA H2 8.000 4.200 80.000 4.480 4.218 4.763 . 0 0 "[ . 1]" 2
2 1 8 DC H2' 1 9 DA H5' 8.000 4.200 80.000 6.861 5.788 7.573 . 0 0 "[ . 1]" 2
3 1 8 DC H2' 1 9 DA H5'' 8.000 4.200 80.000 6.359 5.708 7.311 . 0 0 "[ . 1]" 2
4 1 8 DC H2'' 1 9 DA H5' 8.000 4.200 80.000 5.619 4.716 6.151 . 0 0 "[ . 1]" 2
5 1 8 DC H2'' 1 9 DA H5'' 8.000 4.200 80.000 4.963 4.147 6.263 0.053 7 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 6.176
_Distance_constraint_stats_list.Viol_max 0.037
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0151
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 0.054 0.008 4 0 "[ . 1]"
1 2 DG 0.276 0.037 10 0 "[ . 1]"
1 3 DC 0.005 0.005 1 0 "[ . 1]"
1 4 DG 0.000 0.000 . 0 "[ . 1]"
1 5 DA 0.251 0.031 10 0 "[ . 1]"
1 6 DA 0.032 0.010 8 0 "[ . 1]"
1 10 DT 0.032 0.010 8 0 "[ . 1]"
1 11 DT 0.251 0.031 10 0 "[ . 1]"
1 12 DC 0.000 0.000 . 0 "[ . 1]"
1 13 DG 0.005 0.005 1 0 "[ . 1]"
1 14 DC 0.276 0.037 10 0 "[ . 1]"
1 15 DG 0.054 0.008 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 DC O2 1 15 DG H21 2.000 . 2.200 2.090 1.981 2.182 . 0 0 "[ . 1]" 3
2 1 1 DC O2 1 15 DG N2 2.900 2.600 3.200 3.063 2.936 3.150 . 0 0 "[ . 1]" 3
3 1 1 DC N3 1 15 DG H1 2.000 . 2.200 1.985 1.946 2.022 . 0 0 "[ . 1]" 3
4 1 1 DC N3 1 15 DG N1 2.900 2.600 3.200 2.977 2.939 3.020 . 0 0 "[ . 1]" 3
5 1 1 DC H41 1 15 DG O6 2.000 . 2.200 1.799 1.792 1.847 0.008 4 0 "[ . 1]" 3
6 1 1 DC N4 1 15 DG O6 2.900 2.600 3.200 2.774 2.736 2.821 . 0 0 "[ . 1]" 3
7 1 2 DG H21 1 14 DC O2 2.000 . 2.200 1.777 1.763 1.790 0.037 10 0 "[ . 1]" 3
8 1 2 DG N2 1 14 DC O2 2.900 2.600 3.200 2.734 2.712 2.756 . 0 0 "[ . 1]" 3
9 1 2 DG H1 1 14 DC N3 2.000 . 2.200 1.856 1.809 1.921 . 0 0 "[ . 1]" 3
10 1 2 DG N1 1 14 DC N3 2.900 2.600 3.200 2.840 2.803 2.894 . 0 0 "[ . 1]" 3
11 1 2 DG O6 1 14 DC H41 2.000 . 2.200 1.839 1.789 1.963 0.011 3 0 "[ . 1]" 3
12 1 2 DG O6 1 14 DC N4 2.900 2.600 3.200 2.831 2.777 2.954 . 0 0 "[ . 1]" 3
13 1 3 DC O2 1 13 DG H21 2.000 . 2.200 1.851 1.795 1.911 0.005 1 0 "[ . 1]" 3
14 1 3 DC O2 1 13 DG N2 2.900 2.600 3.200 2.793 2.743 2.844 . 0 0 "[ . 1]" 3
15 1 3 DC N3 1 13 DG H1 2.000 . 2.200 1.968 1.881 2.061 . 0 0 "[ . 1]" 3
16 1 3 DC N3 1 13 DG N1 2.900 2.600 3.200 2.942 2.867 3.029 . 0 0 "[ . 1]" 3
17 1 3 DC H41 1 13 DG O6 2.000 . 2.200 1.977 1.850 2.134 . 0 0 "[ . 1]" 3
18 1 3 DC N4 1 13 DG O6 2.900 2.600 3.200 2.971 2.854 3.122 . 0 0 "[ . 1]" 3
19 1 4 DG H21 1 12 DC O2 2.000 . 2.200 2.084 1.999 2.161 . 0 0 "[ . 1]" 3
20 1 4 DG N2 1 12 DC O2 2.900 2.600 3.200 3.058 2.965 3.134 . 0 0 "[ . 1]" 3
21 1 4 DG H1 1 12 DC N3 2.000 . 2.200 2.062 1.970 2.121 . 0 0 "[ . 1]" 3
22 1 4 DG N1 1 12 DC N3 2.900 2.600 3.200 3.065 2.968 3.123 . 0 0 "[ . 1]" 3
23 1 4 DG O6 1 12 DC H41 2.000 . 2.200 1.980 1.875 2.059 . 0 0 "[ . 1]" 3
24 1 4 DG O6 1 12 DC N4 2.900 2.600 3.200 2.985 2.876 3.065 . 0 0 "[ . 1]" 3
25 1 5 DA N1 1 11 DT H3 2.000 . 2.200 2.090 2.009 2.176 . 0 0 "[ . 1]" 3
26 1 5 DA N1 1 11 DT N3 2.900 2.600 3.200 3.030 2.959 3.115 . 0 0 "[ . 1]" 3
27 1 5 DA H61 1 11 DT O4 2.000 . 2.200 1.775 1.769 1.782 0.031 10 0 "[ . 1]" 3
28 1 5 DA N6 1 11 DT O4 2.900 2.600 3.200 2.736 2.713 2.752 . 0 0 "[ . 1]" 3
29 1 6 DA N1 1 10 DT H3 2.000 . 2.200 2.030 2.001 2.059 . 0 0 "[ . 1]" 3
30 1 6 DA N1 1 10 DT N3 2.900 2.600 3.200 2.953 2.943 2.971 . 0 0 "[ . 1]" 3
31 1 6 DA H61 1 10 DT O4 2.000 . 2.200 2.146 2.021 2.210 0.010 8 0 "[ . 1]" 3
32 1 6 DA N6 1 10 DT O4 2.900 2.600 3.200 3.018 2.898 3.103 . 0 0 "[ . 1]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, June 6, 2024 11:21:30 AM GMT (wattos1)