NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472587 |
1b3p   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b3p
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 533
_Distance_constraint_stats_list.Viol_count 2347
_Distance_constraint_stats_list.Viol_total 88952.992
_Distance_constraint_stats_list.Viol_max 9.607
_Distance_constraint_stats_list.Viol_rms 2.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7417
_Distance_constraint_stats_list.Viol_average_violations_only 2.5267
_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 67.874 1.700 8 15 [*****-*+*******]
1 2 DG 2076.884 9.593 6 15 [***-*+*********]
1 3 DA 795.622 9.025 6 15 [***-*+*********]
1 4 DG 193.394 5.094 12 15 [*********-*+***]
1 5 DG 1631.669 9.593 6 15 [*****+***-*****]
1 6 DA 1093.102 9.275 11 15 [*****-****+****]
1 7 DT 41.090 1.588 8 15 [*******+****-**]
2 1 DG 67.835 1.713 8 15 [***-***+*******]
2 2 DG 2076.192 9.607 6 15 [***-*+*********]
2 3 DA 796.346 9.040 6 15 [***-*+*********]
2 4 DG 193.359 5.103 14 15 [*************+*]
2 5 DG 1632.272 9.607 6 15 [***-*+*********]
2 6 DA 1093.907 9.281 11 15 [***-******+****]
2 7 DT 41.251 1.593 3 15 [**+*********-**]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1' 1 1 DG H2' 2.620 2.100 3.140 3.045 2.975 3.077 . 0 0 "[ . 1 .]" 1
2 1 1 DG H1' 1 1 DG H2'' 2.300 . 2.760 2.241 2.211 2.259 . 0 0 "[ . 1 .]" 1
3 1 1 DG H1' 1 1 DG H3' 3.410 2.730 4.090 3.819 3.760 3.973 . 0 0 "[ . 1 .]" 1
4 1 1 DG H1' 1 1 DG H4' 2.980 2.380 3.580 3.268 3.065 3.350 . 0 0 "[ . 1 .]" 1
5 1 1 DG H1' 1 1 DG Q5' 4.160 3.330 4.990 4.429 4.277 4.508 . 0 0 "[ . 1 .]" 1
6 1 1 DG H1' 1 4 DG H1 3.000 2.400 3.600 3.512 3.398 3.723 0.123 8 0 "[ . 1 .]" 1
7 1 1 DG H1' 1 5 DG Q2 . 4.800 4.800 5.523 5.435 5.663 0.863 8 15 [**-****+*******] 1
8 1 1 DG H1' 2 1 DG H8 2.440 . 2.930 2.137 2.116 2.198 . 0 0 "[ . 1 .]" 1
9 1 1 DG H2' 1 1 DG H3' 2.350 . 2.820 2.438 2.247 2.483 . 0 0 "[ . 1 .]" 1
10 1 1 DG H2' 1 1 DG H4' 3.170 2.540 3.800 3.800 3.743 3.904 0.104 9 0 "[ . 1 .]" 1
11 1 1 DG H2' 1 1 DG Q5' 3.410 2.730 4.090 3.455 3.111 3.852 . 0 0 "[ . 1 .]" 1
12 1 1 DG H2' 1 1 DG H8 3.750 3.000 4.500 4.735 4.620 4.824 0.324 8 0 "[ . 1 .]" 1
13 1 1 DG H2' 1 2 DG Q5' 3.890 3.110 4.670 4.787 4.731 4.840 0.170 11 0 "[ . 1 .]" 1
14 1 1 DG H2' 1 2 DG H8 2.490 . 2.990 2.715 2.658 2.775 . 0 0 "[ . 1 .]" 1
15 1 1 DG H2' 1 4 DG H1 6.000 4.800 7.200 6.393 6.296 6.607 . 0 0 "[ . 1 .]" 1
16 1 1 DG H2'' 1 1 DG H3' 2.560 2.050 3.070 2.740 2.701 2.885 . 0 0 "[ . 1 .]" 1
17 1 1 DG H2'' 1 1 DG Q5' 3.840 3.070 4.610 4.486 4.333 4.601 . 0 0 "[ . 1 .]" 1
18 1 1 DG H2'' 1 2 DG Q5' 3.290 2.630 3.950 3.229 3.153 3.468 . 0 0 "[ . 1 .]" 1
19 1 1 DG H2'' 1 2 DG H8 2.760 2.210 3.310 2.953 2.832 3.001 . 0 0 "[ . 1 .]" 1
20 1 1 DG H2'' 1 4 DG H1 6.000 4.800 7.200 5.119 5.029 5.321 . 0 0 "[ . 1 .]" 1
21 1 1 DG H2'' 2 1 DG H8 3.390 2.710 4.070 4.276 4.227 4.350 0.280 11 0 "[ . 1 .]" 1
22 1 1 DG H3' 1 1 DG H4' 2.560 2.050 3.070 2.708 2.623 2.895 . 0 0 "[ . 1 .]" 1
23 1 1 DG H3' 1 1 DG Q5' 2.810 2.250 3.370 2.801 2.608 3.067 . 0 0 "[ . 1 .]" 1
24 1 1 DG H3' 1 2 DG Q5' 4.260 3.410 5.110 4.430 3.740 5.079 . 0 0 "[ . 1 .]" 1
25 1 1 DG H3' 1 2 DG H8 3.970 3.180 4.760 4.193 3.982 4.314 . 0 0 "[ . 1 .]" 1
26 1 1 DG H4' 1 1 DG Q5' 2.330 . 2.800 2.386 2.329 2.453 . 0 0 "[ . 1 .]" 1
27 1 1 DG H4' 1 4 DG H1 6.000 4.800 7.200 4.949 4.758 5.171 0.042 9 0 "[ . 1 .]" 1
28 1 1 DG Q5' 1 2 DG H8 4.980 3.980 5.980 5.625 5.346 6.037 0.057 9 0 "[ . 1 .]" 1
29 1 1 DG H8 1 2 DG Q2 6.000 4.800 7.200 4.774 4.704 4.915 0.096 3 0 "[ . 1 .]" 1
30 1 1 DG H8 1 2 DG H4' 3.760 3.010 4.510 5.668 5.480 6.046 1.536 8 15 [*******+**-****] 1
31 1 1 DG H8 1 2 DG Q5' 3.880 3.100 4.660 5.346 5.194 6.360 1.700 8 15 [*****-*+*******] 1
32 1 1 DG H8 1 4 DG H1 3.000 2.400 3.600 4.586 4.488 4.674 1.074 13 15 [********-***+**] 1
33 1 1 DG H8 1 5 DG H1 6.000 4.800 7.200 6.355 6.249 6.585 . 0 0 "[ . 1 .]" 1
34 1 1 DG H8 1 5 DG Q2 5.000 4.000 6.000 4.411 4.336 4.615 . 0 0 "[ . 1 .]" 1
35 1 1 DG H8 2 1 DG H1' 2.440 . 2.930 2.139 2.116 2.196 . 0 0 "[ . 1 .]" 1
36 1 1 DG H8 2 1 DG H2'' 3.390 2.710 4.070 4.275 4.227 4.348 0.278 11 0 "[ . 1 .]" 1
37 1 1 DG H8 2 1 DG H8 2.920 2.340 3.500 2.211 2.133 2.423 0.207 9 0 "[ . 1 .]" 1
38 1 1 DG H8 2 5 DG Q2 4.000 3.200 4.800 3.817 3.703 4.091 . 0 0 "[ . 1 .]" 1
39 1 2 DG H1 1 4 DG H1 4.000 3.200 4.800 9.791 9.660 9.894 5.094 12 15 [-**********+***] 1
40 1 2 DG H1 1 5 DG H1' 4.000 3.200 4.800 14.181 13.964 14.393 9.593 6 15 [**-**+*********] 1
41 1 2 DG H1 1 5 DG Q2 6.000 4.800 7.200 8.242 8.104 8.451 1.251 11 15 [-*********+****] 1
42 1 2 DG H1 1 5 DG H4' 6.000 4.800 7.200 15.464 15.186 15.728 8.528 11 15 [****-*****+****] 1
43 1 2 DG H1 1 5 DG Q5' 6.000 4.800 7.200 14.435 14.145 14.840 7.640 4 15 [***+-**********] 1
44 1 2 DG H1 1 6 DA Q2' 6.000 4.800 7.200 15.589 15.289 15.991 8.791 11 15 [-*********+****] 1
45 1 2 DG H1 1 6 DA Q5' 6.000 4.800 7.200 16.054 15.631 16.475 9.275 11 15 [-*********+****] 1
46 1 2 DG H1 2 6 DA H1' 3.000 2.400 3.600 2.552 2.479 2.641 . 0 0 "[ . 1 .]" 1
47 1 2 DG H1 2 6 DA H8 4.000 3.200 4.800 3.436 3.304 3.538 . 0 0 "[ . 1 .]" 1
48 1 2 DG H1' 1 2 DG Q2' 2.730 2.180 2.980 2.445 2.404 2.468 . 0 0 "[ . 1 .]" 1
49 1 2 DG H1' 1 2 DG H3' 2.940 2.350 3.530 3.597 3.578 3.630 0.100 11 0 "[ . 1 .]" 1
50 1 2 DG H1' 1 2 DG H4' 2.850 2.280 3.420 2.852 2.817 2.872 . 0 0 "[ . 1 .]" 1
51 1 2 DG H1' 1 2 DG Q5' 4.230 3.380 5.080 4.327 4.300 4.401 . 0 0 "[ . 1 .]" 1
52 1 2 DG H1' 1 2 DG H8 3.740 2.990 4.490 3.934 3.913 3.956 . 0 0 "[ . 1 .]" 1
53 1 2 DG H1' 1 3 DA H8 2.930 2.340 3.520 2.903 2.887 2.930 . 0 0 "[ . 1 .]" 1
54 1 2 DG H1' 1 4 DG H1 6.000 4.800 7.200 6.815 6.727 6.912 . 0 0 "[ . 1 .]" 1
55 1 2 DG H1' 1 5 DG H1 4.000 3.200 4.800 7.769 7.536 8.044 3.244 7 15 [**-***+********] 1
56 1 2 DG H1' 1 5 DG Q2 3.000 2.400 3.600 6.924 6.698 7.114 3.514 7 15 [******+**-*****] 1
57 1 2 DG H1' 1 6 DA H2 5.900 4.720 7.080 14.671 14.368 15.154 8.074 8 15 [***-***+*******] 1
58 1 2 DG H1' 2 5 DG Q2 3.000 2.400 3.600 2.744 2.644 2.832 . 0 0 "[ . 1 .]" 1
59 1 2 DG H1' 2 6 DA Q6 4.000 3.200 4.800 3.324 3.128 3.414 0.072 4 0 "[ . 1 .]" 1
60 1 2 DG Q2' 1 2 DG H3' 2.380 . 2.860 2.314 2.271 2.333 . 0 0 "[ . 1 .]" 1
61 1 2 DG Q2' 1 2 DG H4' 3.750 3.000 4.450 3.452 3.434 3.508 . 0 0 "[ . 1 .]" 1
62 1 2 DG Q2' 1 2 DG Q5' . 3.610 4.370 3.446 3.241 3.605 0.369 8 0 "[ . 1 .]" 1
63 1 2 DG Q2' 1 2 DG H8 2.340 2.140 2.810 2.247 2.214 2.267 . 0 0 "[ . 1 .]" 1
64 1 2 DG Q2' 1 3 DA H8 3.680 2.940 4.420 3.495 3.306 3.598 . 0 0 "[ . 1 .]" 1
65 1 2 DG Q2' 1 5 DG Q2 6.000 4.800 7.200 7.751 7.546 8.025 0.825 8 10 "[** -***+*1 **]" 1
66 1 2 DG Q2' 1 6 DA H2 5.360 4.290 6.040 13.916 13.641 14.601 8.561 8 15 [***-***+*******] 1
67 1 2 DG Q2' 2 6 DA Q6 4.000 4.000 4.800 2.964 2.854 3.009 1.146 4 15 [***+*-*********] 1
68 1 2 DG Q2 1 3 DA H8 6.000 4.800 7.200 5.656 5.540 5.791 . 0 0 "[ . 1 .]" 1
69 1 2 DG Q2 1 4 DG H1 4.000 3.200 4.800 8.010 7.779 8.152 3.352 6 15 [*****+*-*******] 1
70 1 2 DG Q2 1 5 DG H1 6.000 4.800 7.200 6.274 6.068 6.579 . 0 0 "[ . 1 .]" 1
71 1 2 DG Q2 1 5 DG Q2' 6.000 4.800 7.200 11.272 11.068 11.509 4.309 6 15 [*****+*-*******] 1
72 1 2 DG Q2 1 5 DG H3' 6.000 4.800 7.200 13.894 13.715 14.115 6.915 6 15 [*****+*-*******] 1
73 1 2 DG Q2 1 5 DG H4' 4.000 3.200 4.800 12.413 12.252 12.565 7.765 11 15 [****-*****+****] 1
74 1 2 DG Q2 1 5 DG Q5' 6.000 4.800 7.200 11.581 11.410 11.864 4.664 4 15 [***+-**********] 1
75 1 2 DG Q2 1 5 DG H8 6.000 4.800 7.200 11.385 11.047 11.679 4.479 6 15 [*****+*-*******] 1
76 1 2 DG Q2 1 6 DA H1' 6.000 4.800 7.200 12.891 12.721 13.124 5.924 11 15 [-*********+****] 1
77 1 2 DG Q2 1 6 DA Q5' 6.000 4.800 7.200 13.364 13.083 13.658 6.458 14 15 [**-**********+*] 1
78 1 2 DG Q2 1 6 DA Q6 6.000 4.800 7.200 10.199 9.975 10.460 3.260 6 15 [**-**+*********] 1
79 1 2 DG Q2 1 6 DA H8 . 3.200 3.600 12.411 12.178 12.739 9.139 6 15 [**-**+*********] 1
80 1 2 DG Q2 2 5 DG H1' 3.000 2.770 3.600 2.471 2.375 2.569 0.395 4 0 "[ . 1 .]" 1
81 1 2 DG Q2 2 6 DA H8 4.000 3.200 4.800 3.075 3.005 3.154 0.195 3 0 "[ . 1 .]" 1
82 1 2 DG H3' 1 2 DG H4' 2.620 2.100 3.140 2.777 2.736 2.874 . 0 0 "[ . 1 .]" 1
83 1 2 DG H3' 1 2 DG Q5' 2.370 . 2.840 2.638 2.569 2.666 . 0 0 "[ . 1 .]" 1
84 1 2 DG H3' 1 2 DG H8 4.250 3.400 5.100 4.813 4.716 4.855 . 0 0 "[ . 1 .]" 1
85 1 2 DG H3' 1 4 DG H8 4.590 3.670 5.510 6.163 5.895 6.433 0.923 8 12 "[****.**+**** -]" 1
86 1 2 DG H4' 1 2 DG Q5' 2.210 . 2.650 2.307 2.293 2.360 . 0 0 "[ . 1 .]" 1
87 1 2 DG H4' 1 3 DA H4' 3.470 2.780 4.160 4.040 3.891 4.185 0.025 1 0 "[ . 1 .]" 1
88 1 2 DG H4' 1 3 DA H8 3.600 2.880 4.320 4.295 4.183 4.378 0.058 6 0 "[ . 1 .]" 1
89 1 2 DG H4' 1 4 DG H1 4.000 3.200 4.800 4.835 4.566 4.921 0.121 4 0 "[ . 1 .]" 1
90 1 2 DG H4' 1 5 DG H1 4.000 3.200 4.800 6.870 6.509 7.137 2.337 7 15 [******+***-****] 1
91 1 2 DG H4' 2 5 DG Q2 4.000 3.200 4.800 3.326 3.151 3.402 0.049 11 0 "[ . 1 .]" 1
92 1 2 DG Q5' 1 2 DG H8 5.200 4.160 6.240 5.208 5.022 5.299 . 0 0 "[ . 1 .]" 1
93 1 2 DG Q5' 1 4 DG H1 4.000 3.200 4.800 3.260 3.120 4.456 0.080 10 0 "[ . 1 .]" 1
94 1 2 DG Q5' 1 5 DG Q2 6.000 4.800 7.200 5.676 5.464 6.620 . 0 0 "[ . 1 .]" 1
95 1 2 DG H8 1 4 DG H1 6.000 4.800 7.200 7.983 7.806 8.241 1.041 8 15 [*******+******-] 1
96 1 2 DG H8 1 6 DA Q6 6.000 4.800 7.200 13.851 13.595 14.317 7.117 8 15 [***-***+*******] 1
97 1 2 DG H8 2 6 DA H2 4.830 3.860 5.800 3.653 3.620 3.702 0.240 14 0 "[ . 1 .]" 1
98 1 3 DA H1' 1 3 DA H2 4.770 3.820 5.720 4.490 4.447 4.519 . 0 0 "[ . 1 .]" 1
99 1 3 DA H1' 1 3 DA H2' 2.730 2.180 3.280 3.061 2.958 3.092 . 0 0 "[ . 1 .]" 1
100 1 3 DA H1' 1 3 DA H2'' 2.340 . 2.810 2.341 2.303 2.353 . 0 0 "[ . 1 .]" 1
101 1 3 DA H1' 1 3 DA H3' 3.600 2.880 4.320 3.804 3.731 3.986 . 0 0 "[ . 1 .]" 1
102 1 3 DA H1' 1 3 DA H4' 3.220 2.580 3.860 3.255 3.030 3.348 . 0 0 "[ . 1 .]" 1
103 1 3 DA H1' 1 3 DA Q5' 4.710 3.770 5.650 4.447 4.421 4.465 . 0 0 "[ . 1 .]" 1
104 1 3 DA H1' 1 3 DA H8 3.580 2.860 4.300 3.807 3.713 3.846 . 0 0 "[ . 1 .]" 1
105 1 3 DA H1' 1 4 DG Q5' 4.210 3.370 5.050 5.061 4.746 5.227 0.177 5 0 "[ . 1 .]" 1
106 1 3 DA H1' 1 4 DG H8 3.910 3.130 4.690 3.732 3.664 3.853 . 0 0 "[ . 1 .]" 1
107 1 3 DA H1' 1 5 DG H1 4.000 3.200 4.800 6.390 6.024 6.746 1.946 7 15 [******+***-****] 1
108 1 3 DA H2 1 3 DA H2'' 4.570 3.660 5.480 5.161 5.044 5.293 . 0 0 "[ . 1 .]" 1
109 1 3 DA H2 1 5 DG Q2' 3.970 3.180 4.760 11.902 11.439 12.368 7.608 6 15 [*****+*-*******] 1
110 1 3 DA H2 1 5 DG Q2 5.000 4.000 6.000 8.496 8.219 8.788 2.788 6 15 [*****+***-*****] 1
111 1 3 DA H2 2 5 DG Q2' 3.970 3.180 4.760 3.580 3.485 3.664 . 0 0 "[ . 1 .]" 1
112 1 3 DA H2 2 5 DG H8 2.670 2.140 3.200 2.830 2.799 2.867 . 0 0 "[ . 1 .]" 1
113 1 3 DA H2' 1 3 DA H3' 2.300 . 2.760 2.403 2.235 2.465 . 0 0 "[ . 1 .]" 1
114 1 3 DA H2' 1 3 DA H4' 3.540 2.830 4.250 3.797 3.757 3.892 . 0 0 "[ . 1 .]" 1
115 1 3 DA H2' 1 3 DA Q5' 3.960 3.170 4.750 3.679 3.473 4.341 . 0 0 "[ . 1 .]" 1
116 1 3 DA H2' 1 3 DA H8 3.090 2.470 3.710 2.990 2.948 3.086 . 0 0 "[ . 1 .]" 1
117 1 3 DA H2'' 1 3 DA H3' 2.370 . 2.840 2.704 2.628 2.924 0.084 4 0 "[ . 1 .]" 1
118 1 3 DA H2'' 1 3 DA H4' 3.560 2.850 4.270 3.937 3.496 4.068 . 0 0 "[ . 1 .]" 1
119 1 3 DA H2'' 1 3 DA Q5' 3.950 3.160 4.740 4.578 4.524 4.701 . 0 0 "[ . 1 .]" 1
120 1 3 DA H2'' 1 3 DA H8 3.360 2.690 4.030 4.238 4.175 4.405 0.375 4 0 "[ . 1 .]" 1
121 1 3 DA H2'' 1 4 DG H8 4.160 3.330 4.990 5.339 5.162 5.461 0.471 5 0 "[ . 1 .]" 1
122 1 3 DA H3' 1 3 DA H4' 2.610 2.090 3.130 2.788 2.740 2.913 . 0 0 "[ . 1 .]" 1
123 1 3 DA H3' 1 3 DA Q5' 2.780 2.220 3.340 2.827 2.746 2.876 . 0 0 "[ . 1 .]" 1
124 1 3 DA H3' 1 3 DA H8 4.100 3.280 4.920 4.654 3.834 4.885 . 0 0 "[ . 1 .]" 1
125 1 3 DA H3' 1 4 DG H8 4.630 3.700 5.560 4.951 4.728 5.396 . 0 0 "[ . 1 .]" 1
126 1 3 DA H3' 1 5 DG H1 6.000 4.800 7.200 9.513 8.977 10.040 2.840 1 15 [+*********-****] 1
127 1 3 DA H3' 1 6 DA Q6 6.000 4.800 7.200 14.227 13.805 14.710 7.510 1 15 [+*********-****] 1
128 1 3 DA H4' 1 3 DA Q5' 2.380 . 2.860 2.316 2.306 2.326 . 0 0 "[ . 1 .]" 1
129 1 3 DA H4' 1 3 DA H8 3.890 3.110 4.670 4.501 4.421 4.570 . 0 0 "[ . 1 .]" 1
130 1 3 DA H4' 1 4 DG H2' 3.470 2.780 4.160 3.902 3.793 4.076 . 0 0 "[ . 1 .]" 1
131 1 3 DA H4' 1 4 DG H8 2.450 . 2.940 2.467 2.438 2.499 . 0 0 "[ . 1 .]" 1
132 1 3 DA H4' 1 5 DG H1 4.000 3.200 4.800 7.366 6.926 7.635 2.835 8 15 [*******+**-****] 1
133 1 3 DA Q5' 1 3 DA H8 3.490 2.790 4.190 3.598 3.424 3.941 . 0 0 "[ . 1 .]" 1
134 1 3 DA Q5' 1 4 DG H1' 5.090 4.070 6.110 4.999 4.551 5.255 . 0 0 "[ . 1 .]" 1
135 1 3 DA Q5' 1 4 DG H4' 3.920 3.140 4.700 4.227 3.781 4.510 . 0 0 "[ . 1 .]" 1
136 1 3 DA Q5' 1 4 DG Q5' 2.950 2.360 3.540 3.224 3.066 3.688 0.148 6 0 "[ . 1 .]" 1
137 1 3 DA Q5' 1 4 DG H8 3.740 2.990 4.490 4.092 3.726 4.287 . 0 0 "[ . 1 .]" 1
138 1 3 DA Q5' 1 5 DG H1 6.000 4.800 7.200 8.154 7.847 8.450 1.250 8 15 [***-***+*******] 1
139 1 3 DA Q6 1 5 DG H1' 4.000 3.200 4.800 13.414 13.056 13.825 9.025 6 15 [**-**+*********] 1
140 1 3 DA Q6 1 5 DG H3' 6.000 4.800 7.200 15.805 15.425 16.185 8.985 6 15 [**-**+*********] 1
141 1 3 DA Q6 1 5 DG H8 6.000 4.800 7.200 12.894 12.456 13.375 6.175 6 15 [*****+*-*******] 1
142 1 3 DA Q6 2 6 DA H8 3.000 2.400 3.600 2.594 2.400 2.746 . 0 0 "[ . 1 .]" 1
143 1 3 DA Q6 2 7 DT M7 6.000 4.800 7.200 3.357 3.207 3.428 1.593 3 15 [**+*********-**] 1
144 1 3 DA H8 1 5 DG H1 6.000 4.800 7.200 8.665 8.333 9.015 1.815 1 15 [+*-************] 1
145 1 3 DA H8 1 5 DG Q2 5.000 4.000 6.000 8.366 8.090 8.649 2.649 1 15 [+********-*****] 1
146 1 3 DA H8 2 6 DA Q6 3.000 2.650 3.600 2.545 2.428 2.709 0.222 2 0 "[ . 1 .]" 1
147 1 4 DG H1 1 5 DG H1 6.000 4.800 7.200 6.408 6.285 6.612 . 0 0 "[ . 1 .]" 1
148 1 4 DG H1 1 5 DG Q2 4.000 3.200 4.800 3.846 3.708 4.021 . 0 0 "[ . 1 .]" 1
149 1 4 DG H1' 1 4 DG H2' 2.760 2.210 3.310 3.070 3.012 3.096 . 0 0 "[ . 1 .]" 1
150 1 4 DG H1' 1 4 DG H2'' 2.410 . 2.890 2.503 2.456 2.541 . 0 0 "[ . 1 .]" 1
151 1 4 DG H1' 1 4 DG H3' 3.520 2.820 4.220 3.697 3.605 3.731 . 0 0 "[ . 1 .]" 1
152 1 4 DG H1' 1 4 DG H4' 2.990 2.390 3.590 3.183 3.054 3.302 . 0 0 "[ . 1 .]" 1
153 1 4 DG H1' 1 4 DG H8 3.770 3.020 4.520 3.925 3.892 3.977 . 0 0 "[ . 1 .]" 1
154 1 4 DG H1' 1 5 DG H3' 5.210 4.170 6.250 5.699 5.309 5.862 . 0 0 "[ . 1 .]" 1
155 1 4 DG H1' 1 5 DG H4' 3.520 2.820 4.220 4.233 3.742 4.428 0.208 2 0 "[ . 1 .]" 1
156 1 4 DG H1' 1 5 DG Q5' 2.840 2.270 3.410 2.568 2.466 2.959 . 0 0 "[ . 1 .]" 1
157 1 4 DG H1' 1 5 DG H8 5.030 4.020 6.040 5.666 5.598 5.767 . 0 0 "[ . 1 .]" 1
158 1 4 DG H2' 1 4 DG H3' 2.410 . 2.890 2.451 2.420 2.526 . 0 0 "[ . 1 .]" 1
159 1 4 DG H2' 1 4 DG H4' 3.540 2.830 4.250 3.586 3.544 3.664 . 0 0 "[ . 1 .]" 1
160 1 4 DG H2' 1 4 DG Q5' 2.940 2.350 3.530 3.156 2.684 3.396 . 0 0 "[ . 1 .]" 1
161 1 4 DG H2' 1 4 DG H8 2.490 . 2.990 2.507 2.456 2.539 . 0 0 "[ . 1 .]" 1
162 1 4 DG H2' 1 5 DG H1 6.000 4.800 7.200 6.520 6.108 6.972 . 0 0 "[ . 1 .]" 1
163 1 4 DG H2' 1 5 DG H4' 5.440 4.350 6.530 5.822 5.671 5.940 . 0 0 "[ . 1 .]" 1
164 1 4 DG H2' 1 5 DG Q5' 3.680 2.940 4.420 4.431 4.192 4.642 0.222 5 0 "[ . 1 .]" 1
165 1 4 DG H2' 1 5 DG H8 3.470 2.780 4.160 3.806 3.642 4.023 . 0 0 "[ . 1 .]" 1
166 1 4 DG H2'' 1 4 DG H3' 2.450 . 2.940 2.631 2.599 2.689 . 0 0 "[ . 1 .]" 1
167 1 4 DG H2'' 1 4 DG H4' 3.200 2.560 3.840 4.034 3.962 4.126 0.286 4 0 "[ . 1 .]" 1
168 1 4 DG H2'' 1 4 DG H8 2.960 2.370 3.550 3.812 3.698 3.924 0.374 6 0 "[ . 1 .]" 1
169 1 4 DG H2'' 1 5 DG H1 6.000 4.800 7.200 6.916 6.472 7.322 0.122 8 0 "[ . 1 .]" 1
170 1 4 DG H2'' 1 5 DG H3' 3.980 3.180 4.780 4.479 4.069 4.711 . 0 0 "[ . 1 .]" 1
171 1 4 DG H2'' 1 5 DG H4' 3.490 2.790 4.190 4.127 4.061 4.200 0.010 2 0 "[ . 1 .]" 1
172 1 4 DG H2'' 1 5 DG Q5' 3.100 2.480 3.720 3.002 2.831 3.233 . 0 0 "[ . 1 .]" 1
173 1 4 DG H2'' 1 5 DG H8 3.000 2.400 3.600 3.226 3.155 3.309 . 0 0 "[ . 1 .]" 1
174 1 4 DG H3' 1 4 DG H4' 2.630 2.100 3.160 2.681 2.662 2.720 . 0 0 "[ . 1 .]" 1
175 1 4 DG H3' 1 4 DG Q5' 2.430 . 2.920 2.546 2.500 2.608 . 0 0 "[ . 1 .]" 1
176 1 4 DG H3' 1 4 DG H8 3.970 3.180 4.760 4.766 4.691 4.816 0.056 3 0 "[ . 1 .]" 1
177 1 4 DG H3' 1 5 DG H3' 4.490 3.590 5.390 5.930 5.454 6.215 0.825 1 9 "[+ .* *-*****]" 1
178 1 4 DG H3' 1 5 DG H8 4.480 3.580 5.380 4.598 4.307 5.067 . 0 0 "[ . 1 .]" 1
179 1 4 DG H4' 1 4 DG H8 4.310 3.450 5.170 4.793 4.733 4.894 . 0 0 "[ . 1 .]" 1
180 1 4 DG Q5' 1 4 DG H8 3.480 2.780 4.180 3.830 3.360 4.089 . 0 0 "[ . 1 .]" 1
181 1 4 DG H8 1 5 DG Q2 4.000 4.000 4.800 5.421 5.200 5.755 0.955 8 12 "[** ****+*- * **]" 1
182 1 4 DG H8 2 5 DG H1 3.000 2.400 3.600 3.527 3.321 3.632 0.032 3 0 "[ . 1 .]" 1
183 1 5 DG H1 2 4 DG H8 3.000 2.400 3.600 3.528 3.322 3.631 0.031 3 0 "[ . 1 .]" 1
184 1 5 DG H1' 1 5 DG Q2' 2.670 2.140 2.820 2.358 2.332 2.408 . 0 0 "[ . 1 .]" 1
185 1 5 DG H1' 1 5 DG H3' 3.120 2.500 3.740 3.743 3.638 3.876 0.136 3 0 "[ . 1 .]" 1
186 1 5 DG H1' 1 5 DG H4' 3.180 2.540 3.820 3.067 2.979 3.128 . 0 0 "[ . 1 .]" 1
187 1 5 DG H1' 1 5 DG Q5' 4.020 3.220 4.820 4.371 4.280 4.426 . 0 0 "[ . 1 .]" 1
188 1 5 DG H1' 1 5 DG H8 3.590 2.870 4.310 3.895 3.851 3.933 . 0 0 "[ . 1 .]" 1
189 1 5 DG H1' 1 6 DA H8 3.120 2.500 3.740 3.145 3.062 3.221 . 0 0 "[ . 1 .]" 1
190 1 5 DG H1' 1 7 DT M7 4.940 3.950 5.930 5.523 5.393 5.725 . 0 0 "[ . 1 .]" 1
191 1 5 DG H1' 2 2 DG Q2 3.000 2.770 3.600 2.490 2.425 2.629 0.345 15 0 "[ . 1 .]" 1
192 1 5 DG Q2' 1 5 DG H3' 2.330 . 2.800 2.187 2.133 2.237 . 0 0 "[ . 1 .]" 1
193 1 5 DG Q2' 1 5 DG H4' 3.500 2.800 4.180 3.419 3.387 3.453 . 0 0 "[ . 1 .]" 1
194 1 5 DG Q2' 1 5 DG Q5' 3.590 2.870 4.310 3.547 3.328 3.875 . 0 0 "[ . 1 .]" 1
195 1 5 DG Q2' 1 5 DG H8 2.210 2.050 2.650 2.264 2.239 2.288 . 0 0 "[ . 1 .]" 1
196 1 5 DG Q2' 1 6 DA H8 4.040 3.230 4.850 4.233 3.956 4.485 . 0 0 "[ . 1 .]" 1
197 1 5 DG Q2' 2 3 DA H2 3.970 3.180 4.760 3.582 3.488 3.668 . 0 0 "[ . 1 .]" 1
198 1 5 DG Q2 1 6 DA Q6 6.000 4.800 7.200 4.436 4.398 4.474 0.402 4 0 "[ . 1 .]" 1
199 1 5 DG Q2 1 6 DA H8 6.000 4.800 7.200 5.304 5.160 5.397 . 0 0 "[ . 1 .]" 1
200 1 5 DG Q2 2 1 DG H8 4.000 3.200 4.800 3.823 3.716 4.103 . 0 0 "[ . 1 .]" 1
201 1 5 DG Q2 2 2 DG H1' 3.000 2.400 3.600 2.754 2.685 2.831 . 0 0 "[ . 1 .]" 1
202 1 5 DG Q2 2 2 DG H4' 4.000 3.200 4.800 3.331 3.145 3.408 0.055 11 0 "[ . 1 .]" 1
203 1 5 DG H3' 1 5 DG H4' 2.670 2.140 3.200 2.751 2.678 2.859 . 0 0 "[ . 1 .]" 1
204 1 5 DG H3' 1 5 DG Q5' 2.650 2.120 3.180 2.693 2.640 2.743 . 0 0 "[ . 1 .]" 1
205 1 5 DG H3' 1 5 DG H8 3.490 2.790 4.190 4.614 4.311 4.747 0.557 12 4 "[ . *-*+ .]" 1
206 1 5 DG H3' 1 6 DA Q5' 3.760 3.010 4.510 4.242 3.839 4.614 0.104 5 0 "[ . 1 .]" 1
207 1 5 DG H3' 1 6 DA H8 4.670 3.740 5.600 4.943 4.651 5.414 . 0 0 "[ . 1 .]" 1
208 1 5 DG H4' 1 5 DG Q5' 2.220 . 2.660 2.221 2.197 2.263 . 0 0 "[ . 1 .]" 1
209 1 5 DG H4' 1 5 DG H8 5.530 4.420 6.640 5.516 5.472 5.560 . 0 0 "[ . 1 .]" 1
210 1 5 DG H4' 1 6 DA H8 3.550 2.840 4.260 3.857 3.653 4.086 . 0 0 "[ . 1 .]" 1
211 1 5 DG H4' 1 7 DT M7 4.930 3.940 5.920 5.924 5.624 6.412 0.492 14 0 "[ . 1 .]" 1
212 1 5 DG Q5' 1 5 DG H8 5.850 4.680 7.020 5.152 4.901 5.325 . 0 0 "[ . 1 .]" 1
213 1 5 DG H8 2 3 DA H2 2.670 2.140 3.200 2.832 2.798 2.866 . 0 0 "[ . 1 .]" 1
214 1 6 DA H1' 1 6 DA H2 4.840 3.870 5.810 4.777 4.680 4.882 . 0 0 "[ . 1 .]" 1
215 1 6 DA H1' 1 6 DA Q2' 2.460 . 2.650 2.203 2.162 2.251 . 0 0 "[ . 1 .]" 1
216 1 6 DA H1' 1 6 DA H3' 3.500 2.800 4.200 3.657 3.597 3.711 . 0 0 "[ . 1 .]" 1
217 1 6 DA H1' 1 6 DA H4' 3.050 2.440 3.660 3.275 3.122 3.460 . 0 0 "[ . 1 .]" 1
218 1 6 DA H1' 1 6 DA Q5' 4.310 3.450 5.170 4.473 4.421 4.522 . 0 0 "[ . 1 .]" 1
219 1 6 DA H1' 1 6 DA H8 3.470 2.780 4.160 3.723 3.647 3.814 . 0 0 "[ . 1 .]" 1
220 1 6 DA H1' 1 7 DT Q5' 3.640 2.910 4.370 4.561 4.317 4.792 0.422 15 0 "[ . 1 .]" 1
221 1 6 DA H1' 1 7 DT H6 4.690 3.750 5.630 5.312 5.217 5.390 . 0 0 "[ . 1 .]" 1
222 1 6 DA H1' 1 7 DT M7 5.060 4.050 6.070 5.066 4.912 5.166 . 0 0 "[ . 1 .]" 1
223 1 6 DA H1' 2 2 DG H1 3.000 2.400 3.600 2.543 2.481 2.613 . 0 0 "[ . 1 .]" 1
224 1 6 DA H2 1 6 DA Q2' 4.440 4.230 5.330 4.479 4.351 4.545 . 0 0 "[ . 1 .]" 1
225 1 6 DA H2 1 7 DT H1' 3.110 2.490 3.730 3.280 3.168 3.383 . 0 0 "[ . 1 .]" 1
226 1 6 DA H2 1 7 DT H2' 5.950 4.760 7.140 5.979 5.821 6.118 . 0 0 "[ . 1 .]" 1
227 1 6 DA H2 1 7 DT H2'' 4.910 3.930 5.890 5.537 5.404 5.664 . 0 0 "[ . 1 .]" 1
228 1 6 DA H2 1 7 DT H4' 5.700 4.560 6.840 5.539 5.035 5.957 . 0 0 "[ . 1 .]" 1
229 1 6 DA H2 1 7 DT M7 5.680 4.540 6.820 6.253 5.839 6.537 . 0 0 "[ . 1 .]" 1
230 1 6 DA H2 2 2 DG H8 4.830 3.860 5.800 3.655 3.619 3.697 0.241 14 0 "[ . 1 .]" 1
231 1 6 DA Q2' 1 6 DA H3' 2.590 2.070 2.890 2.327 2.275 2.356 . 0 0 "[ . 1 .]" 1
232 1 6 DA Q2' 1 6 DA H4' 2.710 2.520 3.250 2.570 2.511 2.716 0.009 1 0 "[ . 1 .]" 1
233 1 6 DA Q2' 1 6 DA Q5' 3.960 3.240 4.750 3.939 3.912 3.989 . 0 0 "[ . 1 .]" 1
234 1 6 DA Q2' 1 6 DA H8 4.260 3.410 4.800 4.020 3.909 4.165 . 0 0 "[ . 1 .]" 1
235 1 6 DA Q2' 1 7 DT H1' 4.230 4.220 5.080 3.940 3.760 4.107 0.460 15 0 "[ . 1 .]" 1
236 1 6 DA Q2' 1 7 DT H3' 4.190 3.350 4.870 4.089 3.928 4.333 . 0 0 "[ . 1 .]" 1
237 1 6 DA Q2' 1 7 DT H4' 3.360 2.700 4.030 3.759 3.568 3.910 . 0 0 "[ . 1 .]" 1
238 1 6 DA Q2' 1 7 DT Q5' 3.000 2.530 3.600 2.440 2.351 2.512 0.179 14 0 "[ . 1 .]" 1
239 1 6 DA Q2' 1 7 DT H6 3.140 2.510 3.230 2.667 2.597 2.725 . 0 0 "[ . 1 .]" 1
240 1 6 DA Q2' 1 7 DT M7 3.890 3.480 4.670 3.362 3.230 3.482 0.250 12 0 "[ . 1 .]" 1
241 1 6 DA H3' 1 6 DA H4' 2.700 2.160 3.240 3.020 2.978 3.050 . 0 0 "[ . 1 .]" 1
242 1 6 DA H3' 1 6 DA Q5' 2.920 2.340 3.500 2.942 2.867 3.045 . 0 0 "[ . 1 .]" 1
243 1 6 DA H3' 1 6 DA H8 3.330 2.660 4.000 3.206 3.033 3.343 . 0 0 "[ . 1 .]" 1
244 1 6 DA H3' 1 7 DT H6 2.970 2.380 3.560 3.340 3.096 3.480 . 0 0 "[ . 1 .]" 1
245 1 6 DA H3' 1 7 DT M7 2.980 2.380 3.580 2.308 2.162 2.406 0.218 3 0 "[ . 1 .]" 1
246 1 6 DA H4' 1 6 DA H8 3.860 3.090 4.630 4.597 4.502 4.704 0.074 13 0 "[ . 1 .]" 1
247 1 6 DA H4' 1 7 DT H6 4.700 3.760 5.640 5.788 5.716 5.860 0.220 12 0 "[ . 1 .]" 1
248 1 6 DA H4' 1 7 DT M7 4.530 3.620 5.440 4.911 4.808 4.997 . 0 0 "[ . 1 .]" 1
249 1 6 DA Q5' 1 6 DA H8 3.610 2.890 4.330 3.944 3.544 4.201 . 0 0 "[ . 1 .]" 1
250 1 6 DA Q5' 1 7 DT H6 5.820 4.660 6.980 5.805 5.531 6.026 . 0 0 "[ . 1 .]" 1
251 1 6 DA Q5' 1 7 DT M7 4.440 3.550 5.330 4.115 3.840 4.376 . 0 0 "[ . 1 .]" 1
252 1 6 DA Q6 1 6 DA H8 6.000 4.800 7.200 4.737 4.642 4.814 0.158 2 0 "[ . 1 .]" 1
253 1 6 DA Q6 2 2 DG H1' 4.000 3.200 4.800 3.342 3.287 3.405 . 0 0 "[ . 1 .]" 1
254 1 6 DA Q6 2 2 DG Q2' 4.000 4.000 4.800 2.975 2.911 3.004 1.089 8 15 [*****-*+*******] 1
255 1 6 DA Q6 2 3 DA H8 3.000 2.650 3.600 2.557 2.427 2.740 0.223 2 0 "[ . 1 .]" 1
256 1 6 DA H8 1 7 DT H6 5.190 4.150 6.230 5.478 5.264 5.650 . 0 0 "[ . 1 .]" 1
257 1 6 DA H8 1 7 DT M7 3.970 3.180 4.760 3.525 3.319 3.759 . 0 0 "[ . 1 .]" 1
258 1 6 DA H8 2 2 DG H1 4.000 3.200 4.800 3.440 3.354 3.562 . 0 0 "[ . 1 .]" 1
259 1 6 DA H8 2 2 DG Q2 4.000 3.200 4.800 3.072 2.988 3.149 0.212 3 0 "[ . 1 .]" 1
260 1 6 DA H8 2 3 DA Q6 3.000 2.400 3.600 2.591 2.413 2.806 . 0 0 "[ . 1 .]" 1
261 1 7 DT H1' 1 7 DT H2' 2.710 2.170 3.250 2.829 2.785 2.870 . 0 0 "[ . 1 .]" 1
262 1 7 DT H1' 1 7 DT H2'' 2.230 . 2.680 2.329 2.306 2.342 . 0 0 "[ . 1 .]" 1
263 1 7 DT H1' 1 7 DT H3' 3.570 2.860 4.280 4.022 3.949 4.126 . 0 0 "[ . 1 .]" 1
264 1 7 DT H1' 1 7 DT H4' 2.980 2.380 3.580 3.292 3.175 3.442 . 0 0 "[ . 1 .]" 1
265 1 7 DT H1' 1 7 DT Q5' 4.380 3.500 5.260 4.378 4.275 4.467 . 0 0 "[ . 1 .]" 1
266 1 7 DT H1' 1 7 DT H6 3.340 2.670 4.010 3.627 3.603 3.660 . 0 0 "[ . 1 .]" 1
267 1 7 DT H1' 1 7 DT M7 5.190 4.150 6.230 5.112 5.079 5.134 . 0 0 "[ . 1 .]" 1
268 1 7 DT H2' 1 7 DT H3' 2.570 2.060 3.080 2.496 2.405 2.573 . 0 0 "[ . 1 .]" 1
269 1 7 DT H2' 1 7 DT H4' 3.310 2.650 3.970 3.878 3.715 4.018 0.048 14 0 "[ . 1 .]" 1
270 1 7 DT H2' 1 7 DT Q5' 4.050 3.240 4.860 4.537 4.420 4.625 . 0 0 "[ . 1 .]" 1
271 1 7 DT H2' 1 7 DT H6 2.600 2.080 3.120 2.914 2.786 3.075 . 0 0 "[ . 1 .]" 1
272 1 7 DT H2' 1 7 DT M7 4.840 3.870 5.810 4.282 4.175 4.456 . 0 0 "[ . 1 .]" 1
273 1 7 DT H2'' 1 7 DT H3' 2.880 2.300 3.460 3.073 3.024 3.135 . 0 0 "[ . 1 .]" 1
274 1 7 DT H2'' 1 7 DT H4' 2.830 2.260 3.400 3.033 2.908 3.206 . 0 0 "[ . 1 .]" 1
275 1 7 DT H2'' 1 7 DT Q5' 3.720 2.980 4.460 4.375 4.300 4.457 . 0 0 "[ . 1 .]" 1
276 1 7 DT H2'' 1 7 DT H6 3.250 2.600 3.900 4.114 4.045 4.162 0.262 15 0 "[ . 1 .]" 1
277 1 7 DT H3' 1 7 DT H4' 2.630 2.100 3.160 2.835 2.672 3.071 . 0 0 "[ . 1 .]" 1
278 1 7 DT H3' 1 7 DT Q5' 2.490 . 2.990 2.640 2.448 2.910 . 0 0 "[ . 1 .]" 1
279 1 7 DT H3' 1 7 DT H6 2.790 2.230 3.350 2.640 2.523 2.762 . 0 0 "[ . 1 .]" 1
280 1 7 DT H3' 1 7 DT M7 4.360 3.490 5.230 4.130 4.000 4.329 . 0 0 "[ . 1 .]" 1
281 1 7 DT H4' 1 7 DT H6 3.420 2.740 4.100 4.107 3.950 4.206 0.106 2 0 "[ . 1 .]" 1
282 1 7 DT H4' 1 7 DT M7 4.810 3.850 5.770 5.710 5.550 5.823 0.053 2 0 "[ . 1 .]" 1
283 1 7 DT Q5' 1 7 DT H6 3.570 2.860 4.280 3.691 3.354 3.932 . 0 0 "[ . 1 .]" 1
284 1 7 DT Q5' 1 7 DT M7 4.640 3.710 5.570 4.707 4.294 4.979 . 0 0 "[ . 1 .]" 1
285 1 7 DT M7 2 3 DA Q6 6.000 4.800 7.200 3.313 3.212 3.424 1.588 8 15 [*******+****-**] 1
286 2 1 DG H1' 2 1 DG H2' 2.620 2.100 3.140 3.046 2.973 3.077 . 0 0 "[ . 1 .]" 1
287 2 1 DG H1' 2 1 DG H2'' 2.300 . 2.760 2.239 2.209 2.259 . 0 0 "[ . 1 .]" 1
288 2 1 DG H1' 2 1 DG H3' 3.410 2.730 4.090 3.819 3.762 3.967 . 0 0 "[ . 1 .]" 1
289 2 1 DG H1' 2 1 DG H4' 2.980 2.380 3.580 3.269 3.070 3.347 . 0 0 "[ . 1 .]" 1
290 2 1 DG H1' 2 1 DG Q5' 4.160 3.330 4.990 4.426 4.273 4.507 . 0 0 "[ . 1 .]" 1
291 2 1 DG H1' 2 4 DG H1 3.000 2.400 3.600 3.513 3.396 3.725 0.125 8 0 "[ . 1 .]" 1
292 2 1 DG H1' 2 5 DG Q2 . 4.800 4.800 5.523 5.437 5.660 0.860 8 15 [**-****+*******] 1
293 2 1 DG H2' 2 1 DG H3' 2.350 . 2.820 2.437 2.249 2.482 . 0 0 "[ . 1 .]" 1
294 2 1 DG H2' 2 1 DG H4' 3.170 2.540 3.800 3.801 3.744 3.902 0.102 9 0 "[ . 1 .]" 1
295 2 1 DG H2' 2 1 DG Q5' 3.410 2.730 4.090 3.457 3.126 3.854 . 0 0 "[ . 1 .]" 1
296 2 1 DG H2' 2 1 DG H8 3.750 3.000 4.500 4.735 4.619 4.822 0.322 8 0 "[ . 1 .]" 1
297 2 1 DG H2' 2 2 DG Q5' 3.890 3.110 4.670 4.787 4.724 4.854 0.184 10 0 "[ . 1 .]" 1
298 2 1 DG H2' 2 2 DG H8 2.490 . 2.990 2.714 2.658 2.764 . 0 0 "[ . 1 .]" 1
299 2 1 DG H2' 2 4 DG H1 6.000 4.800 7.200 6.395 6.299 6.607 . 0 0 "[ . 1 .]" 1
300 2 1 DG H2'' 2 1 DG H3' 2.560 2.050 3.070 2.739 2.701 2.891 . 0 0 "[ . 1 .]" 1
301 2 1 DG H2'' 2 1 DG Q5' 3.840 3.070 4.610 4.487 4.323 4.602 . 0 0 "[ . 1 .]" 1
302 2 1 DG H2'' 2 2 DG Q5' 3.290 2.630 3.950 3.228 3.141 3.472 . 0 0 "[ . 1 .]" 1
303 2 1 DG H2'' 2 2 DG H8 2.760 2.210 3.310 2.956 2.852 3.003 . 0 0 "[ . 1 .]" 1
304 2 1 DG H2'' 2 4 DG H1 6.000 4.800 7.200 5.118 5.041 5.303 . 0 0 "[ . 1 .]" 1
305 2 1 DG H3' 2 1 DG H4' 2.560 2.050 3.070 2.708 2.631 2.890 . 0 0 "[ . 1 .]" 1
306 2 1 DG H3' 2 1 DG Q5' 2.810 2.250 3.370 2.808 2.612 3.076 . 0 0 "[ . 1 .]" 1
307 2 1 DG H3' 2 2 DG Q5' 4.260 3.410 5.110 4.431 3.762 5.084 . 0 0 "[ . 1 .]" 1
308 2 1 DG H3' 2 2 DG H8 3.970 3.180 4.760 4.192 3.988 4.305 . 0 0 "[ . 1 .]" 1
309 2 1 DG H4' 2 1 DG Q5' 2.330 . 2.800 2.386 2.328 2.454 . 0 0 "[ . 1 .]" 1
310 2 1 DG H4' 2 4 DG H1 6.000 4.800 7.200 4.951 4.766 5.164 0.034 9 0 "[ . 1 .]" 1
311 2 1 DG Q5' 2 2 DG H8 4.980 3.980 5.980 5.628 5.347 6.051 0.071 9 0 "[ . 1 .]" 1
312 2 1 DG H8 2 2 DG Q2 6.000 4.800 7.200 4.773 4.696 4.906 0.104 15 0 "[ . 1 .]" 1
313 2 1 DG H8 2 2 DG H4' 3.760 3.010 4.510 5.665 5.473 6.026 1.516 8 15 [*******+**-****] 1
314 2 1 DG H8 2 2 DG Q5' 3.880 3.100 4.660 5.342 5.185 6.373 1.713 8 15 [***-***+*******] 1
315 2 1 DG H8 2 4 DG H1 3.000 2.400 3.600 4.587 4.482 4.671 1.071 8 15 [*******+-******] 1
316 2 1 DG H8 2 5 DG H1 6.000 4.800 7.200 6.354 6.241 6.591 . 0 0 "[ . 1 .]" 1
317 2 1 DG H8 2 5 DG Q2 5.000 4.000 6.000 4.411 4.334 4.615 . 0 0 "[ . 1 .]" 1
318 2 2 DG H1 2 4 DG H1 4.000 3.200 4.800 9.792 9.660 9.903 5.103 14 15 [-************+*] 1
319 2 2 DG H1 2 5 DG H1' 4.000 3.200 4.800 14.169 13.972 14.407 9.607 6 15 [**-**+*********] 1
320 2 2 DG H1 2 5 DG Q2 6.000 4.800 7.200 8.244 8.102 8.447 1.247 11 15 [-*********+****] 1
321 2 2 DG H1 2 5 DG H4' 6.000 4.800 7.200 15.468 15.171 15.732 8.532 11 15 [****-*****+****] 1
322 2 2 DG H1 2 5 DG Q5' 6.000 4.800 7.200 14.435 14.161 14.863 7.663 4 15 [***+-**********] 1
323 2 2 DG H1 2 6 DA Q2' 6.000 4.800 7.200 15.587 15.309 15.992 8.792 11 15 [-*********+****] 1
324 2 2 DG H1 2 6 DA Q5' 6.000 4.800 7.200 16.054 15.621 16.481 9.281 11 15 [-*********+****] 1
325 2 2 DG H1' 2 2 DG Q2' 2.730 2.180 2.980 2.446 2.405 2.469 . 0 0 "[ . 1 .]" 1
326 2 2 DG H1' 2 2 DG H3' 2.940 2.350 3.530 3.595 3.577 3.633 0.103 11 0 "[ . 1 .]" 1
327 2 2 DG H1' 2 2 DG H4' 2.850 2.280 3.420 2.853 2.815 2.883 . 0 0 "[ . 1 .]" 1
328 2 2 DG H1' 2 2 DG Q5' 4.230 3.380 5.080 4.326 4.303 4.395 . 0 0 "[ . 1 .]" 1
329 2 2 DG H1' 2 2 DG H8 3.740 2.990 4.490 3.932 3.914 3.955 . 0 0 "[ . 1 .]" 1
330 2 2 DG H1' 2 3 DA H8 2.930 2.340 3.520 2.901 2.875 2.925 . 0 0 "[ . 1 .]" 1
331 2 2 DG H1' 2 4 DG H1 6.000 4.800 7.200 6.818 6.726 6.920 . 0 0 "[ . 1 .]" 1
332 2 2 DG H1' 2 5 DG H1 4.000 3.200 4.800 7.775 7.541 8.040 3.240 7 15 [**-***+********] 1
333 2 2 DG H1' 2 5 DG Q2 3.000 2.400 3.600 6.930 6.700 7.108 3.508 7 15 [******+**-*****] 1
334 2 2 DG H1' 2 6 DA H2 5.900 4.720 7.080 14.676 14.427 15.151 8.071 8 15 [***-***+*******] 1
335 2 2 DG Q2' 2 2 DG H3' 2.380 . 2.860 2.314 2.288 2.360 . 0 0 "[ . 1 .]" 1
336 2 2 DG Q2' 2 2 DG H4' 3.750 3.000 4.450 3.450 3.434 3.510 . 0 0 "[ . 1 .]" 1
337 2 2 DG Q2' 2 2 DG Q5' . 3.610 4.370 3.440 3.232 3.509 0.378 8 0 "[ . 1 .]" 1
338 2 2 DG Q2' 2 2 DG H8 2.340 2.140 2.810 2.253 2.236 2.298 . 0 0 "[ . 1 .]" 1
339 2 2 DG Q2' 2 3 DA H8 3.680 2.940 4.420 3.505 3.384 3.605 . 0 0 "[ . 1 .]" 1
340 2 2 DG Q2' 2 5 DG Q2 6.000 4.800 7.200 7.750 7.552 8.022 0.822 8 10 "[** -***+*1 **]" 1
341 2 2 DG Q2' 2 6 DA H2 5.360 4.290 6.040 13.911 13.572 14.594 8.554 8 15 [***-***+*******] 1
342 2 2 DG Q2 2 3 DA H8 6.000 4.800 7.200 5.657 5.547 5.783 . 0 0 "[ . 1 .]" 1
343 2 2 DG Q2 2 4 DG H1 4.000 3.200 4.800 8.010 7.788 8.159 3.359 6 15 [*****+*-*******] 1
344 2 2 DG Q2 2 5 DG H1 6.000 4.800 7.200 6.275 6.084 6.584 . 0 0 "[ . 1 .]" 1
345 2 2 DG Q2 2 5 DG Q2' 6.000 4.800 7.200 11.273 11.068 11.516 4.316 6 15 [*****+*-*******] 1
346 2 2 DG Q2 2 5 DG H3' 6.000 4.800 7.200 13.891 13.669 14.123 6.923 6 15 [*****+*-*******] 1
347 2 2 DG Q2 2 5 DG H4' 4.000 3.200 4.800 12.416 12.233 12.567 7.767 11 15 [****-*****+****] 1
348 2 2 DG Q2 2 5 DG Q5' 6.000 4.800 7.200 11.582 11.420 11.906 4.706 4 15 [***+-**********] 1
349 2 2 DG Q2 2 5 DG H8 6.000 4.800 7.200 11.385 11.049 11.683 4.483 6 15 [*****+*-*******] 1
350 2 2 DG Q2 2 6 DA H1' 6.000 4.800 7.200 12.892 12.711 13.116 5.916 11 15 [-*********+****] 1
351 2 2 DG Q2 2 6 DA Q5' 6.000 4.800 7.200 13.363 13.074 13.656 6.456 11 15 [**-*******+****] 1
352 2 2 DG Q2 2 6 DA Q6 6.000 4.800 7.200 10.192 9.978 10.466 3.266 6 15 [**-**+*********] 1
353 2 2 DG Q2 2 6 DA H8 . 3.200 3.600 12.411 12.172 12.750 9.150 6 15 [**-**+*********] 1
354 2 2 DG H3' 2 2 DG H4' 2.620 2.100 3.140 2.776 2.754 2.854 . 0 0 "[ . 1 .]" 1
355 2 2 DG H3' 2 2 DG Q5' 2.370 . 2.840 2.638 2.548 2.682 . 0 0 "[ . 1 .]" 1
356 2 2 DG H3' 2 2 DG H8 4.250 3.400 5.100 4.819 4.782 4.885 . 0 0 "[ . 1 .]" 1
357 2 2 DG H3' 2 4 DG H8 4.590 3.670 5.510 6.156 5.888 6.345 0.835 8 13 "[****.**+**** -*]" 1
358 2 2 DG H4' 2 2 DG Q5' 2.210 . 2.650 2.306 2.288 2.353 . 0 0 "[ . 1 .]" 1
359 2 2 DG H4' 2 3 DA H4' 3.470 2.780 4.160 4.040 3.895 4.185 0.025 5 0 "[ . 1 .]" 1
360 2 2 DG H4' 2 3 DA H8 3.600 2.880 4.320 4.296 4.196 4.357 0.037 1 0 "[ . 1 .]" 1
361 2 2 DG H4' 2 4 DG H1 4.000 3.200 4.800 4.833 4.563 4.926 0.126 6 0 "[ . 1 .]" 1
362 2 2 DG H4' 2 5 DG H1 4.000 3.200 4.800 6.869 6.499 7.128 2.328 7 15 [******+***-****] 1
363 2 2 DG Q5' 2 2 DG H8 5.200 4.160 6.240 5.210 5.043 5.293 . 0 0 "[ . 1 .]" 1
364 2 2 DG Q5' 2 4 DG H1 4.000 3.200 4.800 3.258 3.129 4.457 0.071 10 0 "[ . 1 .]" 1
365 2 2 DG Q5' 2 5 DG Q2 6.000 4.800 7.200 5.672 5.469 6.614 . 0 0 "[ . 1 .]" 1
366 2 2 DG H8 2 4 DG H1 6.000 4.800 7.200 7.986 7.806 8.249 1.049 8 15 [*******+******-] 1
367 2 2 DG H8 2 6 DA Q6 6.000 4.800 7.200 13.846 13.541 14.297 7.097 8 15 [***-***+*******] 1
368 2 3 DA H1' 2 3 DA H2 4.770 3.820 5.720 4.492 4.447 4.520 . 0 0 "[ . 1 .]" 1
369 2 3 DA H1' 2 3 DA H2' 2.730 2.180 3.280 3.061 2.957 3.091 . 0 0 "[ . 1 .]" 1
370 2 3 DA H1' 2 3 DA H2'' 2.340 . 2.810 2.341 2.330 2.355 . 0 0 "[ . 1 .]" 1
371 2 3 DA H1' 2 3 DA H3' 3.600 2.880 4.320 3.803 3.732 3.983 . 0 0 "[ . 1 .]" 1
372 2 3 DA H1' 2 3 DA H4' 3.220 2.580 3.860 3.257 3.031 3.352 . 0 0 "[ . 1 .]" 1
373 2 3 DA H1' 2 3 DA Q5' 4.710 3.770 5.650 4.448 4.414 4.467 . 0 0 "[ . 1 .]" 1
374 2 3 DA H1' 2 3 DA H8 3.580 2.860 4.300 3.808 3.732 3.841 . 0 0 "[ . 1 .]" 1
375 2 3 DA H1' 2 4 DG Q5' 4.210 3.370 5.050 5.058 4.738 5.227 0.177 5 0 "[ . 1 .]" 1
376 2 3 DA H1' 2 4 DG H8 3.910 3.130 4.690 3.731 3.660 3.852 . 0 0 "[ . 1 .]" 1
377 2 3 DA H1' 2 5 DG H1 4.000 3.200 4.800 6.393 6.019 6.738 1.938 7 15 [******+***-****] 1
378 2 3 DA H2 2 3 DA H2'' 4.570 3.660 5.480 5.163 5.056 5.317 . 0 0 "[ . 1 .]" 1
379 2 3 DA H2 2 5 DG Q2' 3.970 3.180 4.760 11.910 11.513 12.370 7.610 6 15 [*****+*-*******] 1
380 2 3 DA H2 2 5 DG Q2 5.000 4.000 6.000 8.497 8.231 8.790 2.790 6 15 [*****+***-*****] 1
381 2 3 DA H2' 2 3 DA H3' 2.300 . 2.760 2.404 2.236 2.466 . 0 0 "[ . 1 .]" 1
382 2 3 DA H2' 2 3 DA H4' 3.540 2.830 4.250 3.796 3.758 3.883 . 0 0 "[ . 1 .]" 1
383 2 3 DA H2' 2 3 DA Q5' 3.960 3.170 4.750 3.675 3.470 4.352 . 0 0 "[ . 1 .]" 1
384 2 3 DA H2' 2 3 DA H8 3.090 2.470 3.710 2.988 2.958 3.118 . 0 0 "[ . 1 .]" 1
385 2 3 DA H2'' 2 3 DA H3' 2.370 . 2.840 2.705 2.636 2.928 0.088 4 0 "[ . 1 .]" 1
386 2 3 DA H2'' 2 3 DA H4' 3.560 2.850 4.270 3.941 3.487 4.067 . 0 0 "[ . 1 .]" 1
387 2 3 DA H2'' 2 3 DA Q5' 3.950 3.160 4.740 4.578 4.522 4.711 . 0 0 "[ . 1 .]" 1
388 2 3 DA H2'' 2 3 DA H8 3.360 2.690 4.030 4.236 4.182 4.429 0.399 4 0 "[ . 1 .]" 1
389 2 3 DA H2'' 2 4 DG H8 4.160 3.330 4.990 5.340 5.120 5.467 0.477 5 0 "[ . 1 .]" 1
390 2 3 DA H3' 2 3 DA H4' 2.610 2.090 3.130 2.787 2.737 2.920 . 0 0 "[ . 1 .]" 1
391 2 3 DA H3' 2 3 DA Q5' 2.780 2.220 3.340 2.826 2.739 2.882 . 0 0 "[ . 1 .]" 1
392 2 3 DA H3' 2 3 DA H8 4.100 3.280 4.920 4.657 3.846 4.883 . 0 0 "[ . 1 .]" 1
393 2 3 DA H3' 2 4 DG H8 4.630 3.700 5.560 4.949 4.726 5.374 . 0 0 "[ . 1 .]" 1
394 2 3 DA H3' 2 5 DG H1 6.000 4.800 7.200 9.515 8.972 10.038 2.838 1 15 [+*********-****] 1
395 2 3 DA H3' 2 6 DA Q6 6.000 4.800 7.200 14.221 13.804 14.723 7.523 1 15 [+*********-****] 1
396 2 3 DA H4' 2 3 DA Q5' 2.380 . 2.860 2.316 2.304 2.327 . 0 0 "[ . 1 .]" 1
397 2 3 DA H4' 2 3 DA H8 3.890 3.110 4.670 4.503 4.422 4.570 . 0 0 "[ . 1 .]" 1
398 2 3 DA H4' 2 4 DG H2' 3.470 2.780 4.160 3.906 3.797 4.097 . 0 0 "[ . 1 .]" 1
399 2 3 DA H4' 2 4 DG H8 2.450 . 2.940 2.467 2.441 2.485 . 0 0 "[ . 1 .]" 1
400 2 3 DA H4' 2 5 DG H1 4.000 3.200 4.800 7.368 6.923 7.629 2.829 8 15 [*******+**-****] 1
401 2 3 DA Q5' 2 3 DA H8 3.490 2.790 4.190 3.599 3.425 3.942 . 0 0 "[ . 1 .]" 1
402 2 3 DA Q5' 2 4 DG H1' 5.090 4.070 6.110 4.997 4.550 5.257 . 0 0 "[ . 1 .]" 1
403 2 3 DA Q5' 2 4 DG H4' 3.920 3.140 4.700 4.227 3.778 4.506 . 0 0 "[ . 1 .]" 1
404 2 3 DA Q5' 2 4 DG Q5' 2.950 2.360 3.540 3.222 3.057 3.695 0.155 6 0 "[ . 1 .]" 1
405 2 3 DA Q5' 2 4 DG H8 3.740 2.990 4.490 4.094 3.724 4.270 . 0 0 "[ . 1 .]" 1
406 2 3 DA Q5' 2 5 DG H1 6.000 4.800 7.200 8.158 7.843 8.456 1.256 8 15 [***-***+*******] 1
407 2 3 DA Q6 2 5 DG H1' 4.000 3.200 4.800 13.408 13.056 13.840 9.040 6 15 [**-**+*********] 1
408 2 3 DA Q6 2 5 DG H3' 6.000 4.800 7.200 15.805 15.428 16.196 8.996 6 15 [**-**+*********] 1
409 2 3 DA Q6 2 5 DG H8 6.000 4.800 7.200 12.897 12.477 13.382 6.182 6 15 [*****+*-*******] 1
410 2 3 DA H8 2 5 DG H1 6.000 4.800 7.200 8.666 8.339 9.019 1.819 1 15 [+*-************] 1
411 2 3 DA H8 2 5 DG Q2 5.000 4.000 6.000 8.367 8.095 8.659 2.659 1 15 [+********-*****] 1
412 2 4 DG H1 2 5 DG H1 6.000 4.800 7.200 6.407 6.277 6.614 . 0 0 "[ . 1 .]" 1
413 2 4 DG H1 2 5 DG Q2 4.000 3.200 4.800 3.843 3.708 4.022 . 0 0 "[ . 1 .]" 1
414 2 4 DG H1' 2 4 DG H2' 2.760 2.210 3.310 3.072 3.029 3.098 . 0 0 "[ . 1 .]" 1
415 2 4 DG H1' 2 4 DG H2'' 2.410 . 2.890 2.505 2.459 2.540 . 0 0 "[ . 1 .]" 1
416 2 4 DG H1' 2 4 DG H3' 3.520 2.820 4.220 3.699 3.628 3.728 . 0 0 "[ . 1 .]" 1
417 2 4 DG H1' 2 4 DG H4' 2.990 2.390 3.590 3.179 3.045 3.290 . 0 0 "[ . 1 .]" 1
418 2 4 DG H1' 2 4 DG H8 3.770 3.020 4.520 3.925 3.892 3.976 . 0 0 "[ . 1 .]" 1
419 2 4 DG H1' 2 5 DG H3' 5.210 4.170 6.250 5.703 5.350 5.875 . 0 0 "[ . 1 .]" 1
420 2 4 DG H1' 2 5 DG H4' 3.520 2.820 4.220 4.240 3.777 4.421 0.201 2 0 "[ . 1 .]" 1
421 2 4 DG H1' 2 5 DG Q5' 2.840 2.270 3.410 2.572 2.485 3.038 . 0 0 "[ . 1 .]" 1
422 2 4 DG H1' 2 5 DG H8 5.030 4.020 6.040 5.667 5.603 5.765 . 0 0 "[ . 1 .]" 1
423 2 4 DG H2' 2 4 DG H3' 2.410 . 2.890 2.451 2.422 2.518 . 0 0 "[ . 1 .]" 1
424 2 4 DG H2' 2 4 DG H4' 3.540 2.830 4.250 3.587 3.546 3.666 . 0 0 "[ . 1 .]" 1
425 2 4 DG H2' 2 4 DG Q5' 2.940 2.350 3.530 3.160 2.699 3.395 . 0 0 "[ . 1 .]" 1
426 2 4 DG H2' 2 4 DG H8 2.490 . 2.990 2.510 2.476 2.555 . 0 0 "[ . 1 .]" 1
427 2 4 DG H2' 2 5 DG H1 6.000 4.800 7.200 6.521 6.110 6.976 . 0 0 "[ . 1 .]" 1
428 2 4 DG H2' 2 5 DG H4' 5.440 4.350 6.530 5.821 5.652 5.932 . 0 0 "[ . 1 .]" 1
429 2 4 DG H2' 2 5 DG Q5' 3.680 2.940 4.420 4.431 4.232 4.658 0.238 5 0 "[ . 1 .]" 1
430 2 4 DG H2' 2 5 DG H8 3.470 2.780 4.160 3.800 3.640 3.983 . 0 0 "[ . 1 .]" 1
431 2 4 DG H2'' 2 4 DG H3' 2.450 . 2.940 2.630 2.599 2.693 . 0 0 "[ . 1 .]" 1
432 2 4 DG H2'' 2 4 DG H4' 3.200 2.560 3.840 4.033 3.962 4.115 0.275 4 0 "[ . 1 .]" 1
433 2 4 DG H2'' 2 4 DG H8 2.960 2.370 3.550 3.815 3.747 3.936 0.386 6 0 "[ . 1 .]" 1
434 2 4 DG H2'' 2 5 DG H1 6.000 4.800 7.200 6.919 6.464 7.320 0.120 8 0 "[ . 1 .]" 1
435 2 4 DG H2'' 2 5 DG H3' 3.980 3.180 4.780 4.471 4.079 4.709 . 0 0 "[ . 1 .]" 1
436 2 4 DG H2'' 2 5 DG H4' 3.490 2.790 4.190 4.124 4.063 4.197 0.007 2 0 "[ . 1 .]" 1
437 2 4 DG H2'' 2 5 DG Q5' 3.100 2.480 3.720 2.999 2.848 3.256 . 0 0 "[ . 1 .]" 1
438 2 4 DG H2'' 2 5 DG H8 3.000 2.400 3.600 3.225 3.156 3.294 . 0 0 "[ . 1 .]" 1
439 2 4 DG H3' 2 4 DG H4' 2.630 2.100 3.160 2.682 2.664 2.721 . 0 0 "[ . 1 .]" 1
440 2 4 DG H3' 2 4 DG Q5' 2.430 . 2.920 2.552 2.518 2.595 . 0 0 "[ . 1 .]" 1
441 2 4 DG H3' 2 4 DG H8 3.970 3.180 4.760 4.767 4.693 4.828 0.068 4 0 "[ . 1 .]" 1
442 2 4 DG H3' 2 5 DG H3' 4.490 3.590 5.390 5.924 5.462 6.203 0.813 1 9 "[+ .* *-*****]" 1
443 2 4 DG H3' 2 5 DG H8 4.480 3.580 5.380 4.594 4.314 5.048 . 0 0 "[ . 1 .]" 1
444 2 4 DG H4' 2 4 DG H8 4.310 3.450 5.170 4.791 4.732 4.889 . 0 0 "[ . 1 .]" 1
445 2 4 DG Q5' 2 4 DG H8 3.480 2.780 4.180 3.828 3.349 4.083 . 0 0 "[ . 1 .]" 1
446 2 4 DG H8 2 5 DG Q2 4.000 4.000 4.800 5.421 5.197 5.761 0.961 8 12 "[** ****+*- * **]" 1
447 2 5 DG H1' 2 5 DG Q2' 2.670 2.140 2.820 2.352 2.312 2.408 . 0 0 "[ . 1 .]" 1
448 2 5 DG H1' 2 5 DG H3' 3.120 2.500 3.740 3.746 3.634 3.874 0.134 3 0 "[ . 1 .]" 1
449 2 5 DG H1' 2 5 DG H4' 3.180 2.540 3.820 3.064 2.969 3.138 . 0 0 "[ . 1 .]" 1
450 2 5 DG H1' 2 5 DG Q5' 4.020 3.220 4.820 4.368 4.281 4.431 . 0 0 "[ . 1 .]" 1
451 2 5 DG H1' 2 5 DG H8 3.590 2.870 4.310 3.897 3.843 3.933 . 0 0 "[ . 1 .]" 1
452 2 5 DG H1' 2 6 DA H8 3.120 2.500 3.740 3.145 3.060 3.233 . 0 0 "[ . 1 .]" 1
453 2 5 DG H1' 2 7 DT M7 4.940 3.950 5.930 5.544 5.407 5.675 . 0 0 "[ . 1 .]" 1
454 2 5 DG Q2' 2 5 DG H3' 2.330 . 2.800 2.186 2.128 2.237 . 0 0 "[ . 1 .]" 1
455 2 5 DG Q2' 2 5 DG H4' 3.500 2.800 4.180 3.416 3.383 3.453 . 0 0 "[ . 1 .]" 1
456 2 5 DG Q2' 2 5 DG Q5' 3.590 2.870 4.310 3.562 3.367 3.865 . 0 0 "[ . 1 .]" 1
457 2 5 DG Q2' 2 5 DG H8 2.210 2.050 2.650 2.265 2.248 2.288 . 0 0 "[ . 1 .]" 1
458 2 5 DG Q2' 2 6 DA H8 4.040 3.230 4.850 4.205 3.968 4.417 . 0 0 "[ . 1 .]" 1
459 2 5 DG Q2 2 6 DA Q6 6.000 4.800 7.200 4.424 4.284 4.481 0.516 4 1 "[ +. 1 .]" 1
460 2 5 DG Q2 2 6 DA H8 6.000 4.800 7.200 5.303 5.150 5.406 . 0 0 "[ . 1 .]" 1
461 2 5 DG H3' 2 5 DG H4' 2.670 2.140 3.200 2.751 2.672 2.849 . 0 0 "[ . 1 .]" 1
462 2 5 DG H3' 2 5 DG Q5' 2.650 2.120 3.180 2.699 2.638 2.743 . 0 0 "[ . 1 .]" 1
463 2 5 DG H3' 2 5 DG H8 3.490 2.790 4.190 4.602 4.311 4.740 0.550 12 3 "[ . -*+ .]" 1
464 2 5 DG H3' 2 6 DA Q5' 3.760 3.010 4.510 4.247 3.823 4.654 0.144 5 0 "[ . 1 .]" 1
465 2 5 DG H3' 2 6 DA H8 4.670 3.740 5.600 4.945 4.655 5.419 . 0 0 "[ . 1 .]" 1
466 2 5 DG H4' 2 5 DG Q5' 2.220 . 2.660 2.220 2.197 2.250 . 0 0 "[ . 1 .]" 1
467 2 5 DG H4' 2 5 DG H8 5.530 4.420 6.640 5.511 5.472 5.560 . 0 0 "[ . 1 .]" 1
468 2 5 DG H4' 2 6 DA H8 3.550 2.840 4.260 3.856 3.651 4.086 . 0 0 "[ . 1 .]" 1
469 2 5 DG H4' 2 7 DT M7 4.930 3.940 5.920 5.911 5.607 6.413 0.493 14 0 "[ . 1 .]" 1
470 2 5 DG Q5' 2 5 DG H8 5.850 4.680 7.020 5.150 4.919 5.304 . 0 0 "[ . 1 .]" 1
471 2 6 DA H1' 2 6 DA H2 4.840 3.870 5.810 4.777 4.680 4.873 . 0 0 "[ . 1 .]" 1
472 2 6 DA H1' 2 6 DA Q2' 2.460 . 2.650 2.199 2.162 2.239 . 0 0 "[ . 1 .]" 1
473 2 6 DA H1' 2 6 DA H3' 3.500 2.800 4.200 3.657 3.562 3.715 . 0 0 "[ . 1 .]" 1
474 2 6 DA H1' 2 6 DA H4' 3.050 2.440 3.660 3.273 3.126 3.449 . 0 0 "[ . 1 .]" 1
475 2 6 DA H1' 2 6 DA Q5' 4.310 3.450 5.170 4.473 4.410 4.515 . 0 0 "[ . 1 .]" 1
476 2 6 DA H1' 2 6 DA H8 3.470 2.780 4.160 3.723 3.648 3.811 . 0 0 "[ . 1 .]" 1
477 2 6 DA H1' 2 7 DT Q5' 3.640 2.910 4.370 4.585 4.453 4.765 0.395 15 0 "[ . 1 .]" 1
478 2 6 DA H1' 2 7 DT H6 4.690 3.750 5.630 5.306 5.238 5.372 . 0 0 "[ . 1 .]" 1
479 2 6 DA H1' 2 7 DT M7 5.060 4.050 6.070 5.042 4.913 5.141 . 0 0 "[ . 1 .]" 1
480 2 6 DA H2 2 6 DA Q2' 4.440 4.230 5.330 4.479 4.368 4.551 . 0 0 "[ . 1 .]" 1
481 2 6 DA H2 2 7 DT H1' 3.110 2.490 3.730 3.275 3.166 3.358 . 0 0 "[ . 1 .]" 1
482 2 6 DA H2 2 7 DT H2' 5.950 4.760 7.140 5.968 5.801 6.109 . 0 0 "[ . 1 .]" 1
483 2 6 DA H2 2 7 DT H2'' 4.910 3.930 5.890 5.529 5.295 5.657 . 0 0 "[ . 1 .]" 1
484 2 6 DA H2 2 7 DT H4' 5.700 4.560 6.840 5.565 5.282 5.840 . 0 0 "[ . 1 .]" 1
485 2 6 DA H2 2 7 DT M7 5.680 4.540 6.820 6.248 5.843 6.528 . 0 0 "[ . 1 .]" 1
486 2 6 DA Q2' 2 6 DA H3' 2.590 2.070 2.890 2.321 2.242 2.347 . 0 0 "[ . 1 .]" 1
487 2 6 DA Q2' 2 6 DA H4' 2.710 2.520 3.250 2.564 2.517 2.657 0.003 9 0 "[ . 1 .]" 1
488 2 6 DA Q2' 2 6 DA Q5' 3.960 3.240 4.750 3.935 3.906 3.958 . 0 0 "[ . 1 .]" 1
489 2 6 DA Q2' 2 6 DA H8 4.260 3.410 4.800 4.013 3.955 4.132 . 0 0 "[ . 1 .]" 1
490 2 6 DA Q2' 2 7 DT H1' 4.230 4.220 5.080 3.942 3.786 4.169 0.434 15 0 "[ . 1 .]" 1
491 2 6 DA Q2' 2 7 DT H3' 4.190 3.350 4.870 4.083 3.947 4.297 . 0 0 "[ . 1 .]" 1
492 2 6 DA Q2' 2 7 DT H4' 3.360 2.700 4.030 3.794 3.561 4.106 0.076 14 0 "[ . 1 .]" 1
493 2 6 DA Q2' 2 7 DT Q5' 3.000 2.530 3.600 2.468 2.381 2.660 0.149 12 0 "[ . 1 .]" 1
494 2 6 DA Q2' 2 7 DT H6 3.140 2.510 3.230 2.659 2.593 2.724 . 0 0 "[ . 1 .]" 1
495 2 6 DA Q2' 2 7 DT M7 3.890 3.480 4.670 3.369 3.255 3.500 0.225 7 0 "[ . 1 .]" 1
496 2 6 DA H3' 2 6 DA H4' 2.700 2.160 3.240 3.017 2.983 3.047 . 0 0 "[ . 1 .]" 1
497 2 6 DA H3' 2 6 DA Q5' 2.920 2.340 3.500 2.939 2.882 3.069 . 0 0 "[ . 1 .]" 1
498 2 6 DA H3' 2 6 DA H8 3.330 2.660 4.000 3.208 3.049 3.338 . 0 0 "[ . 1 .]" 1
499 2 6 DA H3' 2 7 DT H6 2.970 2.380 3.560 3.338 3.130 3.471 . 0 0 "[ . 1 .]" 1
500 2 6 DA H3' 2 7 DT M7 2.980 2.380 3.580 2.261 2.150 2.355 0.230 6 0 "[ . 1 .]" 1
501 2 6 DA H4' 2 6 DA H8 3.860 3.090 4.630 4.597 4.500 4.713 0.083 13 0 "[ . 1 .]" 1
502 2 6 DA H4' 2 7 DT H6 4.700 3.760 5.640 5.784 5.736 5.835 0.195 13 0 "[ . 1 .]" 1
503 2 6 DA H4' 2 7 DT M7 4.530 3.620 5.440 4.903 4.787 4.980 . 0 0 "[ . 1 .]" 1
504 2 6 DA Q5' 2 6 DA H8 3.610 2.890 4.330 3.944 3.537 4.204 . 0 0 "[ . 1 .]" 1
505 2 6 DA Q5' 2 7 DT H6 5.820 4.660 6.980 5.802 5.536 5.986 . 0 0 "[ . 1 .]" 1
506 2 6 DA Q5' 2 7 DT M7 4.440 3.550 5.330 4.101 3.780 4.392 . 0 0 "[ . 1 .]" 1
507 2 6 DA Q6 2 6 DA H8 6.000 4.800 7.200 4.740 4.623 4.819 0.177 8 0 "[ . 1 .]" 1
508 2 6 DA H8 2 7 DT H6 5.190 4.150 6.230 5.472 5.293 5.649 . 0 0 "[ . 1 .]" 1
509 2 6 DA H8 2 7 DT M7 3.970 3.180 4.760 3.502 3.320 3.674 . 0 0 "[ . 1 .]" 1
510 2 7 DT H1' 2 7 DT H2' 2.710 2.170 3.250 2.828 2.789 2.865 . 0 0 "[ . 1 .]" 1
511 2 7 DT H1' 2 7 DT H2'' 2.230 . 2.680 2.329 2.314 2.346 . 0 0 "[ . 1 .]" 1
512 2 7 DT H1' 2 7 DT H3' 3.570 2.860 4.280 4.014 3.946 4.137 . 0 0 "[ . 1 .]" 1
513 2 7 DT H1' 2 7 DT H4' 2.980 2.380 3.580 3.280 3.170 3.414 . 0 0 "[ . 1 .]" 1
514 2 7 DT H1' 2 7 DT Q5' 4.380 3.500 5.260 4.385 4.329 4.447 . 0 0 "[ . 1 .]" 1
515 2 7 DT H1' 2 7 DT H6 3.340 2.670 4.010 3.631 3.599 3.680 . 0 0 "[ . 1 .]" 1
516 2 7 DT H1' 2 7 DT M7 5.190 4.150 6.230 5.119 5.079 5.150 . 0 0 "[ . 1 .]" 1
517 2 7 DT H2' 2 7 DT H3' 2.570 2.060 3.080 2.502 2.419 2.655 . 0 0 "[ . 1 .]" 1
518 2 7 DT H2' 2 7 DT H4' 3.310 2.650 3.970 3.845 3.651 4.029 0.059 12 0 "[ . 1 .]" 1
519 2 7 DT H2' 2 7 DT Q5' 4.050 3.240 4.860 4.554 4.457 4.676 . 0 0 "[ . 1 .]" 1
520 2 7 DT H2' 2 7 DT H6 2.600 2.080 3.120 2.937 2.758 3.212 0.092 10 0 "[ . 1 .]" 1
521 2 7 DT H2' 2 7 DT M7 4.840 3.870 5.810 4.284 4.139 4.452 . 0 0 "[ . 1 .]" 1
522 2 7 DT H2'' 2 7 DT H3' 2.880 2.300 3.460 3.073 3.008 3.135 . 0 0 "[ . 1 .]" 1
523 2 7 DT H2'' 2 7 DT H4' 2.830 2.260 3.400 2.978 2.771 3.195 . 0 0 "[ . 1 .]" 1
524 2 7 DT H2'' 2 7 DT Q5' 3.720 2.980 4.460 4.375 4.283 4.463 0.003 5 0 "[ . 1 .]" 1
525 2 7 DT H2'' 2 7 DT H6 3.250 2.600 3.900 4.122 3.988 4.220 0.320 10 0 "[ . 1 .]" 1
526 2 7 DT H3' 2 7 DT H4' 2.630 2.100 3.160 2.815 2.611 3.042 . 0 0 "[ . 1 .]" 1
527 2 7 DT H3' 2 7 DT Q5' 2.490 . 2.990 2.643 2.509 2.779 . 0 0 "[ . 1 .]" 1
528 2 7 DT H3' 2 7 DT H6 2.790 2.230 3.350 2.633 2.539 2.729 . 0 0 "[ . 1 .]" 1
529 2 7 DT H3' 2 7 DT M7 4.360 3.490 5.230 4.116 3.883 4.212 . 0 0 "[ . 1 .]" 1
530 2 7 DT H4' 2 7 DT H6 3.420 2.740 4.100 4.105 3.946 4.205 0.105 2 0 "[ . 1 .]" 1
531 2 7 DT H4' 2 7 DT M7 4.810 3.850 5.770 5.727 5.569 5.834 0.064 14 0 "[ . 1 .]" 1
532 2 7 DT Q5' 2 7 DT H6 3.570 2.860 4.280 3.703 3.349 3.971 . 0 0 "[ . 1 .]" 1
533 2 7 DT Q5' 2 7 DT M7 4.640 3.710 5.570 4.752 4.358 5.038 . 0 0 "[ . 1 .]" 1
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