Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472592 | 1a8w RC | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1a8w
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 566
_Distance_constraint_stats_list.Viol_count 1234
_Distance_constraint_stats_list.Viol_total 14442.529
_Distance_constraint_stats_list.Viol_max 12.741
_Distance_constraint_stats_list.Viol_rms 1.5616
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3987
_Distance_constraint_stats_list.Viol_average_violations_only 1.4630
_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 401.807 10.639 8 8 [***-***+]
1 2 DG 17.155 1.881 2 7 [*+**.*-*]
1 3 DG 87.651 5.744 2 8 [*+****-*]
1 4 DC 24.793 0.811 8 8 [******-+]
1 5 DT 22.977 1.550 7 8 [****-*+*]
1 6 DT 34.143 1.145 5 8 [*-**+***]
1 7 DT 46.958 1.550 7 8 [******+*]
1 8 DT 647.874 12.741 1 8 [+*****-*]
1 9 DG 50.984 5.172 1 8 [+-******]
1 10 DG 20.834 2.087 3 7 "[- +*****]"
1 11 DG 59.314 5.172 1 8 [+**-****]
1 12 DC 320.553 12.741 1 8 [+*******]
2 1 DG 401.748 10.643 8 8 [-******+]
2 2 DG 17.203 1.883 2 7 [*+**.*-*]
2 3 DG 86.962 5.748 2 8 [*+****-*]
2 4 DC 24.563 0.787 1 8 [+*******]
2 5 DT 23.064 1.566 7 8 [****-*+*]
2 6 DT 34.452 1.148 5 8 [*-**+***]
2 7 DT 47.228 1.566 7 8 [-*****+*]
2 8 DT 647.593 12.722 1 8 [+*******]
2 9 DG 50.420 5.119 1 8 [+-******]
2 10 DG 19.961 2.031 3 7 "[* +-****]"
2 11 DG 60.546 5.119 1 8 [+****-**]
2 12 DC 321.051 12.722 1 8 [+-******]
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 H3' 1 1 DG Q5' 2.860 2.290 3.430 2.899 2.791 3.041 . 0 0 "[ . ]" 1
2 1 1 DG H4' 1 1 DG H8 4.130 3.300 4.960 5.141 5.066 5.194 0.234 4 0 "[ . ]" 1
3 1 1 DG H2'' 1 1 DG H8 2.900 2.320 3.480 3.438 3.371 3.510 0.030 1 0 "[ . ]" 1
4 1 1 DG H1' 1 1 DG H3' 3.510 2.810 4.210 3.572 3.517 3.681 . 0 0 "[ . ]" 1
5 1 1 DG H1' 1 1 DG H2' 2.560 2.050 3.070 3.088 3.075 3.107 0.037 4 0 "[ . ]" 1
6 1 1 DG H2' 1 1 DG H8 2.280 . 2.740 2.421 2.387 2.476 . 0 0 "[ . ]" 1
7 1 1 DG H1' 1 1 DG H2'' 2.250 . 2.700 2.417 2.387 2.448 . 0 0 "[ . ]" 1
8 1 1 DG H1' 1 1 DG H8 3.500 2.800 4.200 3.877 3.858 3.904 . 0 0 "[ . ]" 1
9 1 1 DG H2' 1 1 DG H4' 3.510 2.810 4.210 3.662 3.635 3.702 . 0 0 "[ . ]" 1
10 1 1 DG H3' 1 1 DG H4' 2.430 . 2.920 2.746 2.716 2.780 . 0 0 "[ . ]" 1
11 1 1 DG H2'' 1 1 DG H4' 3.320 2.660 3.980 4.069 4.046 4.093 0.113 2 0 "[ . ]" 1
12 1 1 DG H1' 1 1 DG H4' 2.850 2.280 3.420 3.110 3.075 3.158 . 0 0 "[ . ]" 1
13 1 1 DG H2' 1 1 DG H3' 2.190 . 2.630 2.440 2.373 2.482 . 0 0 "[ . ]" 1
14 1 1 DG Q5' 1 1 DG H8 2.290 . 2.950 3.503 3.434 3.581 0.631 7 6 "[ ***.*+-]" 1
15 1 1 DG H2'' 1 1 DG H3' 2.450 . 2.940 2.626 2.573 2.672 . 0 0 "[ . ]" 1
16 1 1 DG H3' 1 1 DG H8 3.480 2.780 4.180 4.801 4.704 4.893 0.713 2 8 [*+*-****] 1
17 1 1 DG H3' 1 3 DG H8 6.000 4.800 7.200 10.694 9.882 11.663 4.463 2 8 [*+**-***] 1
18 1 1 DG H8 1 3 DG H8 4.740 3.790 5.690 10.420 9.633 11.434 5.744 2 8 [*+-*****] 1
19 1 1 DG H8 1 8 DT M7 4.500 3.600 5.400 13.943 13.490 14.208 8.808 1 8 [+*-*****] 1
20 1 1 DG H1' 1 8 DT M7 4.570 3.660 5.480 14.406 14.153 14.839 9.359 8 8 [***-***+] 1
21 1 1 DG H4' 1 8 DT M7 5.220 4.180 6.260 16.528 16.362 16.899 10.639 8 8 [***-***+] 1
22 1 2 DG H4' 1 2 DG H8 4.370 3.500 5.240 5.210 4.883 5.415 0.175 4 0 "[ . ]" 1
23 1 2 DG Q5' 1 2 DG H8 3.740 2.990 4.490 5.149 4.762 5.447 0.957 2 5 "[*+-*.* ]" 1
24 1 2 DG Q2' 1 2 DG H4' 3.720 3.130 4.460 3.472 3.460 3.486 . 0 0 "[ . ]" 1
25 1 2 DG Q2' 1 2 DG H8 4.430 3.540 4.480 3.869 3.694 4.104 . 0 0 "[ . ]" 1
26 1 2 DG H1' 1 2 DG H4' 2.690 2.150 3.230 3.166 3.109 3.259 0.029 7 0 "[ . ]" 1
27 1 2 DG Q2' 1 2 DG H3' 2.450 . 2.660 2.271 2.244 2.295 . 0 0 "[ . ]" 1
28 1 2 DG H1' 1 2 DG H8 2.170 . 2.600 2.447 2.427 2.478 . 0 0 "[ . ]" 1
29 1 2 DG H1' 1 2 DG H3' 3.340 2.670 4.010 3.628 3.537 3.739 . 0 0 "[ . ]" 1
30 1 2 DG H3' 1 2 DG H4' 2.530 2.020 3.040 2.747 2.740 2.753 . 0 0 "[ . ]" 1
31 1 2 DG H1' 1 2 DG Q2' 2.590 2.070 2.740 2.395 2.386 2.412 . 0 0 "[ . ]" 1
32 1 2 DG H3' 1 2 DG H8 5.640 4.510 6.770 5.913 5.801 6.010 . 0 0 "[ . ]" 1
33 1 2 DG H3' 1 3 DG H8 4.280 3.420 5.140 4.906 4.658 5.193 0.053 5 0 "[ . ]" 1
34 1 2 DG H8 1 3 DG H1' 4.200 3.360 5.040 4.386 4.221 4.551 . 0 0 "[ . ]" 1
35 1 2 DG H8 1 3 DG H8 5.920 4.740 7.100 5.195 4.785 5.483 . 0 0 "[ . ]" 1
36 1 2 DG H1' 1 3 DG H8 4.080 3.260 4.900 4.434 4.214 4.654 . 0 0 "[ . ]" 1
37 1 2 DG Q2' 1 3 DG H8 2.510 2.220 3.010 2.531 2.502 2.576 . 0 0 "[ . ]" 1
38 1 2 DG H8 1 3 DG H4' 4.080 3.260 4.900 4.228 4.126 4.379 . 0 0 "[ . ]" 1
39 1 3 DG H1' 1 3 DG H3' 3.400 2.720 4.080 3.694 3.635 3.791 . 0 0 "[ . ]" 1
40 1 3 DG H2' 1 3 DG H3' 2.160 . 2.590 2.365 2.340 2.417 . 0 0 "[ . ]" 1
41 1 3 DG H2'' 1 3 DG H3' 2.380 . 2.860 2.643 2.593 2.716 . 0 0 "[ . ]" 1
42 1 3 DG H1' 1 3 DG H4' 2.820 2.260 3.380 3.167 2.981 3.312 . 0 0 "[ . ]" 1
43 1 3 DG H1' 1 3 DG H2'' 2.350 . 2.820 2.508 2.449 2.558 . 0 0 "[ . ]" 1
44 1 3 DG H4' 1 3 DG H8 6.000 4.800 7.200 5.165 5.045 5.298 . 0 0 "[ . ]" 1
45 1 3 DG H3' 1 3 DG H8 3.530 2.820 4.240 4.773 4.577 4.893 0.653 7 5 "[** .-+*]" 1
46 1 3 DG H1' 1 3 DG H8 3.890 3.110 4.670 3.987 3.941 4.031 . 0 0 "[ . ]" 1
47 1 3 DG H1' 1 3 DG H2' 2.660 2.130 3.190 3.086 3.060 3.123 . 0 0 "[ . ]" 1
48 1 3 DG H2'' 1 3 DG H8 2.780 2.220 3.340 3.763 3.502 3.993 0.653 5 2 "[ -+ ]" 1
49 1 3 DG H4' 1 4 DC H6 5.200 4.160 6.240 5.516 5.204 5.846 . 0 0 "[ . ]" 1
50 1 3 DG H2'' 1 4 DC H6 2.790 2.230 3.350 2.745 2.510 3.167 . 0 0 "[ . ]" 1
51 1 3 DG H8 1 4 DC H5 4.360 3.490 5.230 4.460 4.078 4.760 . 0 0 "[ . ]" 1
52 1 3 DG H3' 1 4 DC H6 4.320 3.460 5.180 4.745 4.633 4.897 . 0 0 "[ . ]" 1
53 1 3 DG H8 1 4 DC H6 5.620 4.500 6.740 5.880 5.650 6.138 . 0 0 "[ . ]" 1
54 1 3 DG H1' 1 4 DC H6 2.890 2.310 3.470 3.110 3.004 3.329 . 0 0 "[ . ]" 1
55 1 3 DG H3' 1 4 DC H5 4.150 3.320 4.980 5.201 5.112 5.366 0.386 1 0 "[ . ]" 1
56 1 3 DG H2'' 1 4 DC H5 2.330 . 2.800 2.609 2.572 2.667 . 0 0 "[ . ]" 1
57 1 3 DG H2' 1 4 DC H5 2.810 2.250 3.370 3.715 3.373 4.181 0.811 8 3 "[- . *+]" 1
58 1 4 DC H2' 1 4 DC H6 2.200 . 2.640 2.154 2.065 2.230 . 0 0 "[ . ]" 1
59 1 4 DC H1' 1 4 DC H2' 2.700 2.160 3.240 3.102 3.078 3.126 . 0 0 "[ . ]" 1
60 1 4 DC H3' 1 4 DC H4' 2.520 2.020 3.020 2.593 2.519 2.651 . 0 0 "[ . ]" 1
61 1 4 DC H1' 1 4 DC H2'' 2.320 . 2.780 2.432 2.404 2.458 . 0 0 "[ . ]" 1
62 1 4 DC H1' 1 4 DC H3' 3.550 2.840 4.260 3.601 3.551 3.686 . 0 0 "[ . ]" 1
63 1 4 DC H2'' 1 4 DC H3' 2.480 . 2.980 2.700 2.661 2.767 . 0 0 "[ . ]" 1
64 1 4 DC H2' 1 4 DC H3' 2.320 . 2.780 2.427 2.373 2.467 . 0 0 "[ . ]" 1
65 1 4 DC H4' 1 4 DC H6 4.230 3.380 5.080 4.733 4.542 4.883 . 0 0 "[ . ]" 1
66 1 4 DC H2' 1 4 DC H4' 3.340 2.670 4.010 3.618 3.584 3.649 . 0 0 "[ . ]" 1
67 1 4 DC H2'' 1 4 DC H5 4.080 3.260 4.900 5.326 5.196 5.398 0.498 5 0 "[ . ]" 1
68 1 4 DC H3' 1 4 DC H6 3.320 2.660 3.980 4.447 4.284 4.522 0.542 2 4 "[*+ . -*]" 1
69 1 4 DC H2'' 1 4 DC H4' 3.210 2.570 3.850 4.166 4.118 4.194 0.344 1 0 "[ . ]" 1
70 1 4 DC H2'' 1 4 DC H6 2.560 2.050 3.070 3.306 3.163 3.426 0.356 5 0 "[ . ]" 1
71 1 4 DC H1' 1 4 DC H4' 3.140 2.510 3.770 3.362 3.213 3.451 . 0 0 "[ . ]" 1
72 1 4 DC H1' 1 4 DC H6 3.500 2.800 4.200 3.727 3.707 3.765 . 0 0 "[ . ]" 1
73 1 4 DC H1' 1 5 DT H3' 4.730 3.780 5.680 5.458 4.644 6.133 0.453 5 0 "[ . ]" 1
74 1 4 DC H1' 1 5 DT H1' 4.000 3.200 4.800 4.795 4.615 4.972 0.172 7 0 "[ . ]" 1
75 1 4 DC H1' 1 5 DT H4' 5.140 4.110 6.170 4.471 4.302 4.618 . 0 0 "[ . ]" 1
76 1 4 DC H3' 1 5 DT H6 3.230 2.580 3.880 3.442 3.243 3.701 . 0 0 "[ . ]" 1
77 1 4 DC H4' 1 5 DT H6 4.070 3.260 4.880 4.911 4.783 4.996 0.116 4 0 "[ . ]" 1
78 1 4 DC H1' 1 5 DT H6 3.360 2.690 4.030 3.827 3.551 4.118 0.088 8 0 "[ . ]" 1
79 1 4 DC H3' 1 6 DT M7 3.890 3.110 4.670 4.779 4.688 5.068 0.398 3 0 "[ . ]" 1
80 1 4 DC H5 1 6 DT M7 4.040 3.230 4.850 4.325 4.032 4.838 . 0 0 "[ . ]" 1
81 1 4 DC H1' 1 6 DT M7 4.290 3.430 5.150 2.792 2.656 2.966 0.774 1 7 "[+***-** ]" 1
82 1 4 DC H1' 1 7 DT M7 5.340 4.270 6.410 6.471 6.267 6.595 0.185 8 0 "[ . ]" 1
83 1 5 DT H2'' 1 5 DT H4' 3.120 2.500 3.740 3.545 3.179 4.028 0.288 3 0 "[ . ]" 1
84 1 5 DT Q5' 1 5 DT H6 3.460 2.770 4.150 3.850 3.506 4.196 0.046 6 0 "[ . ]" 1
85 1 5 DT H2' 1 5 DT H6 2.360 . 2.830 2.417 2.213 2.649 . 0 0 "[ . ]" 1
86 1 5 DT H6 1 5 DT M7 2.910 2.330 3.490 2.356 2.255 2.440 0.075 1 0 "[ . ]" 1
87 1 5 DT H1' 1 5 DT M7 4.780 3.820 5.740 5.180 5.137 5.220 . 0 0 "[ . ]" 1
88 1 5 DT H3' 1 5 DT M7 4.220 3.380 5.060 5.025 4.579 5.777 0.717 3 2 "[ + . - ]" 1
89 1 5 DT H1' 1 5 DT H4' 2.850 2.280 3.420 2.930 2.760 3.173 . 0 0 "[ . ]" 1
90 1 5 DT H4' 1 5 DT H6 3.700 2.960 4.440 4.430 4.357 4.530 0.090 3 0 "[ . ]" 1
91 1 5 DT H3' 1 5 DT H4' 2.590 2.070 3.110 2.835 2.651 2.961 . 0 0 "[ . ]" 1
92 1 5 DT H3' 1 5 DT H6 2.960 2.370 3.550 3.453 2.906 4.308 0.758 3 3 "[ + - * ]" 1
93 1 5 DT H1' 1 5 DT H2'' 2.350 . 2.820 2.393 2.330 2.486 . 0 0 "[ . ]" 1
94 1 5 DT H2'' 1 5 DT H3' 2.450 . 2.940 2.867 2.618 3.007 0.067 2 0 "[ . ]" 1
95 1 5 DT H2' 1 5 DT H3' 2.300 . 2.760 2.289 2.245 2.325 . 0 0 "[ . ]" 1
96 1 5 DT H1' 1 5 DT H2' 2.740 2.190 3.290 3.020 2.934 3.146 . 0 0 "[ . ]" 1
97 1 5 DT H1' 1 5 DT H3' 3.530 2.820 4.240 3.803 3.641 3.884 . 0 0 "[ . ]" 1
98 1 5 DT H3' 1 5 DT Q5' 2.580 2.060 3.100 2.680 2.637 2.722 . 0 0 "[ . ]" 1
99 1 5 DT H1' 1 5 DT H6 3.170 2.540 3.800 3.669 3.636 3.727 . 0 0 "[ . ]" 1
100 1 5 DT H2' 1 5 DT H4' 3.350 2.680 4.020 3.785 3.617 3.877 . 0 0 "[ . ]" 1
101 1 5 DT H3' 1 6 DT M7 5.670 4.540 6.800 5.045 4.895 5.350 . 0 0 "[ . ]" 1
102 1 5 DT H2'' 1 6 DT M7 3.730 2.980 4.480 4.381 4.220 4.607 0.127 6 0 "[ . ]" 1
103 1 5 DT H1' 1 6 DT Q2' 3.320 3.180 3.980 3.715 3.527 4.032 0.052 3 0 "[ . ]" 1
104 1 5 DT H3' 1 6 DT Q5' 3.100 2.480 3.720 3.874 3.497 4.052 0.332 1 0 "[ . ]" 1
105 1 5 DT H3' 1 7 DT M7 4.110 3.290 4.930 6.180 5.840 6.480 1.550 7 8 [****-*+*] 1
106 1 5 DT H2'' 1 7 DT M7 3.470 2.780 4.160 4.273 3.875 4.681 0.521 7 1 "[ . + ]" 1
107 1 5 DT H1' 1 7 DT H6 5.770 4.620 6.920 5.655 5.510 5.877 . 0 0 "[ . ]" 1
108 1 5 DT H4' 1 7 DT M7 4.760 3.810 5.710 5.207 4.881 6.007 0.297 7 0 "[ . ]" 1
109 1 5 DT H1' 1 7 DT M7 4.300 3.440 5.160 3.121 2.978 3.445 0.462 5 0 "[ . ]" 1
110 1 6 DT Q2' 1 6 DT H4' 2.990 2.780 3.590 3.263 3.243 3.316 . 0 0 "[ . ]" 1
111 1 6 DT H1' 1 6 DT Q2' 2.750 2.200 2.750 2.352 2.323 2.391 . 0 0 "[ . ]" 1
112 1 6 DT H1' 1 6 DT H3' 3.950 3.160 4.740 3.908 3.845 4.004 . 0 0 "[ . ]" 1
113 1 6 DT H3' 1 6 DT H6 3.340 2.670 4.010 4.425 4.313 4.544 0.534 3 2 "[ -+ . ]" 1
114 1 6 DT H1' 1 6 DT H4' 3.010 2.410 3.610 2.935 2.873 3.086 . 0 0 "[ . ]" 1
115 1 6 DT H6 1 6 DT M7 2.940 2.350 3.530 2.429 2.352 2.493 . 0 0 "[ . ]" 1
116 1 6 DT Q2' 1 6 DT H3' 2.610 2.090 2.780 2.240 2.204 2.260 . 0 0 "[ . ]" 1
117 1 6 DT H3' 1 6 DT H4' 2.530 2.020 3.040 2.740 2.675 2.820 . 0 0 "[ . ]" 1
118 1 6 DT H4' 1 6 DT H6 3.650 2.920 4.380 4.397 4.322 4.467 0.087 7 0 "[ . ]" 1
119 1 6 DT Q2' 1 6 DT H6 2.870 2.300 2.890 2.412 2.358 2.466 . 0 0 "[ . ]" 1
120 1 6 DT Q5' 1 6 DT H6 3.630 2.900 4.360 3.649 3.537 3.902 . 0 0 "[ . ]" 1
121 1 6 DT H3' 1 6 DT Q5' 2.590 2.070 3.110 2.687 2.624 2.788 . 0 0 "[ . ]" 1
122 1 6 DT H1' 1 6 DT H6 3.070 2.460 3.680 3.594 3.550 3.675 . 0 0 "[ . ]" 1
123 1 6 DT Q2' 1 7 DT M7 4.280 3.420 5.140 2.615 2.462 2.784 0.958 3 8 [**+**-**] 1
124 1 6 DT H6 1 7 DT M7 4.280 3.420 5.140 3.263 3.040 3.462 0.380 3 0 "[ . ]" 1
125 1 6 DT H4' 1 7 DT H6 4.570 3.660 5.480 6.461 6.397 6.625 1.145 5 8 [****+*-*] 1
126 1 6 DT H3' 1 7 DT M7 3.630 2.900 4.360 4.201 3.981 4.449 0.089 5 0 "[ . ]" 1
127 1 6 DT Q2' 1 7 DT H6 3.340 2.670 3.420 2.722 2.693 2.775 . 0 0 "[ . ]" 1
128 1 6 DT H3' 1 7 DT H6 3.600 2.880 4.320 4.737 4.562 5.015 0.695 5 2 "[- + ]" 1
129 1 6 DT H6 1 7 DT H6 4.430 3.540 5.320 4.544 4.446 4.607 . 0 0 "[ . ]" 1
130 1 6 DT H1' 1 7 DT H6 4.670 3.740 5.600 5.000 4.772 5.170 . 0 0 "[ . ]" 1
131 1 6 DT H4' 1 7 DT M7 4.390 3.510 5.270 5.760 5.612 5.935 0.665 5 3 "[ *+- ]" 1
132 1 6 DT H1' 1 7 DT M7 4.770 3.820 5.720 5.228 5.014 5.455 . 0 0 "[ . ]" 1
133 1 7 DT Q2' 1 7 DT H4' 2.980 2.390 3.580 2.970 2.802 3.177 . 0 0 "[ . ]" 1
134 1 7 DT Q2' 1 7 DT H3' 2.320 . 2.740 2.190 2.145 2.234 . 0 0 "[ . ]" 1
135 1 7 DT H1' 1 7 DT H6 3.060 2.450 3.670 3.629 3.545 3.732 0.062 3 0 "[ . ]" 1
136 1 7 DT H6 1 7 DT M7 2.890 2.310 3.470 2.392 2.335 2.426 . 0 0 "[ . ]" 1
137 1 7 DT H1' 1 7 DT M7 6.000 4.800 7.200 5.130 5.062 5.184 . 0 0 "[ . ]" 1
138 1 7 DT H5' 1 7 DT H6 3.960 3.170 4.750 4.462 4.325 4.700 . 0 0 "[ . ]" 1
139 1 7 DT H3' 1 7 DT M7 5.730 4.580 6.880 4.956 4.595 5.440 . 0 0 "[ . ]" 1
140 1 7 DT H3' 1 7 DT H4' 2.190 . 2.630 2.667 2.519 2.768 0.138 4 0 "[ . ]" 1
141 1 7 DT Q2' 1 7 DT H6 2.440 . 2.930 2.544 2.246 2.798 . 0 0 "[ . ]" 1
142 1 7 DT H3' 1 7 DT H6 2.970 2.380 3.560 3.333 2.996 3.863 0.303 3 0 "[ . ]" 1
143 1 7 DT H1' 1 7 DT H3' 3.550 2.840 4.260 3.908 3.859 3.966 . 0 0 "[ . ]" 1
144 1 7 DT H1' 1 7 DT H4' 2.980 2.380 3.580 2.920 2.877 2.994 . 0 0 "[ . ]" 1
145 1 7 DT H1' 1 7 DT Q2' 2.700 2.160 2.820 2.318 2.305 2.337 . 0 0 "[ . ]" 1
146 1 7 DT H1' 1 8 DT H4' 4.260 3.410 5.110 4.521 4.196 4.728 . 0 0 "[ . ]" 1
147 1 7 DT H4' 1 8 DT H6 4.800 3.840 5.760 5.980 5.653 6.310 0.550 5 1 "[ + ]" 1
148 1 7 DT Q2' 1 8 DT H4' 3.870 3.100 4.640 5.084 4.706 5.380 0.740 3 4 "[* + . -*]" 1
149 1 7 DT H1' 1 8 DT M7 4.380 3.500 5.260 5.476 5.276 5.780 0.520 1 1 "[+ . ]" 1
150 1 7 DT H4' 1 8 DT Q5' 2.910 2.330 3.490 3.186 3.061 3.388 . 0 0 "[ . ]" 1
151 1 7 DT H1' 1 8 DT H6 4.840 3.870 5.810 5.141 4.780 5.494 . 0 0 "[ . ]" 1
152 1 7 DT H4' 1 8 DT H1' 5.420 4.340 6.500 4.404 4.139 4.649 0.201 2 0 "[ . ]" 1
153 1 8 DT Q5' 1 8 DT H6 3.320 2.660 3.980 3.930 3.849 4.073 0.093 2 0 "[ . ]" 1
154 1 8 DT Q2' 1 8 DT H4' 3.340 2.730 4.010 3.346 3.291 3.418 . 0 0 "[ . ]" 1
155 1 8 DT H4' 1 8 DT H6 4.370 3.500 5.240 5.009 4.886 5.094 . 0 0 "[ . ]" 1
156 1 8 DT H3' 1 8 DT H6 3.060 2.450 3.670 3.937 3.596 4.205 0.535 7 1 "[ . + ]" 1
157 1 8 DT H4' 1 8 DT Q5' 2.480 . 2.980 2.531 2.510 2.558 . 0 0 "[ . ]" 1
158 1 8 DT H1' 1 8 DT Q2' 2.380 2.210 2.860 2.329 2.305 2.352 . 0 0 "[ . ]" 1
159 1 8 DT H3' 1 8 DT H4' 2.570 2.060 3.080 2.931 2.884 3.013 . 0 0 "[ . ]" 1
160 1 8 DT Q2' 1 8 DT H3' 2.570 2.060 2.820 2.221 2.204 2.236 . 0 0 "[ . ]" 1
161 1 8 DT Q2' 1 8 DT H6 . 2.210 2.690 2.194 2.169 2.221 0.041 6 0 "[ . ]" 1
162 1 8 DT H1' 1 8 DT H3' 3.740 2.990 4.490 4.056 4.032 4.071 . 0 0 "[ . ]" 1
163 1 8 DT H1' 1 8 DT H6 3.320 2.660 3.980 3.724 3.709 3.738 . 0 0 "[ . ]" 1
164 1 8 DT Q2' 1 8 DT Q5' 3.670 2.940 4.400 3.571 3.381 3.746 . 0 0 "[ . ]" 1
165 1 8 DT H3' 1 8 DT M7 6.000 4.800 7.200 5.520 5.192 5.784 . 0 0 "[ . ]" 1
166 1 8 DT H6 1 8 DT M7 3.020 2.420 3.620 2.329 2.242 2.384 0.178 6 0 "[ . ]" 1
167 1 8 DT H1' 1 8 DT H4' 3.100 2.480 3.720 3.039 2.986 3.129 . 0 0 "[ . ]" 1
168 1 8 DT H3' 1 8 DT Q5' 2.670 2.140 3.200 2.611 2.585 2.656 . 0 0 "[ . ]" 1
169 1 8 DT Q2' 1 9 DG H8 . 3.510 4.010 3.287 3.200 3.402 0.310 1 0 "[ . ]" 1
170 1 8 DT Q5' 1 9 DG H8 4.340 3.470 5.210 5.478 5.289 5.593 0.383 7 0 "[ . ]" 1
171 1 8 DT H4' 1 9 DG H8 3.000 2.400 3.600 3.720 3.540 3.836 0.236 7 0 "[ . ]" 1
172 1 8 DT H6 1 9 DG H8 6.000 4.800 7.200 6.727 6.679 6.801 . 0 0 "[ . ]" 1
173 1 8 DT H1' 1 9 DG H8 3.930 3.140 4.720 3.886 3.742 4.040 . 0 0 "[ . ]" 1
174 1 8 DT H3' 1 9 DG H8 5.380 4.300 6.460 4.533 4.401 4.826 . 0 0 "[ . ]" 1
175 1 8 DT H3' 1 12 DC H5 4.680 3.740 5.620 17.642 16.670 18.361 12.741 1 8 [+-******] 1
176 1 9 DG H2' 1 9 DG H8 2.280 . 2.740 2.323 2.294 2.353 . 0 0 "[ . ]" 1
177 1 9 DG H4' 1 9 DG H8 4.310 3.450 5.170 4.818 4.659 5.009 . 0 0 "[ . ]" 1
178 1 9 DG H2' 1 9 DG H4' 3.360 2.690 4.030 3.678 3.642 3.697 . 0 0 "[ . ]" 1
179 1 9 DG H1' 1 9 DG H3' 3.520 2.820 4.220 3.704 3.643 3.732 . 0 0 "[ . ]" 1
180 1 9 DG H3' 1 9 DG H4' 2.500 . 3.000 2.693 2.661 2.717 . 0 0 "[ . ]" 1
181 1 9 DG H1' 1 9 DG H8 3.630 2.900 4.360 3.875 3.843 3.897 . 0 0 "[ . ]" 1
182 1 9 DG H1' 1 9 DG H2' 2.520 2.020 3.020 3.096 3.069 3.126 0.106 7 0 "[ . ]" 1
183 1 9 DG H2'' 1 9 DG H4' 3.570 2.860 4.280 4.093 4.066 4.124 . 0 0 "[ . ]" 1
184 1 9 DG H2'' 1 9 DG H3' 2.540 2.030 3.050 2.706 2.680 2.724 . 0 0 "[ . ]" 1
185 1 9 DG H2' 1 9 DG H3' 2.330 . 2.800 2.403 2.384 2.446 . 0 0 "[ . ]" 1
186 1 9 DG H2'' 1 9 DG H8 2.790 2.230 3.350 3.564 3.463 3.696 0.346 3 0 "[ . ]" 1
187 1 9 DG H1' 1 9 DG H4' 2.810 2.250 3.370 3.301 3.246 3.338 . 0 0 "[ . ]" 1
188 1 9 DG H3' 1 9 DG H8 3.430 2.740 4.120 4.549 4.508 4.603 0.483 2 0 "[ . ]" 1
189 1 9 DG H3' 1 9 DG Q5' 2.630 2.100 3.160 2.779 2.757 2.806 . 0 0 "[ . ]" 1
190 1 9 DG Q5' 1 9 DG H8 3.490 2.790 4.190 3.689 3.488 3.939 . 0 0 "[ . ]" 1
191 1 9 DG H1' 1 9 DG H2'' 2.250 . 2.700 2.368 2.348 2.383 . 0 0 "[ . ]" 1
192 1 9 DG H8 1 11 DG H8 4.750 3.800 5.700 10.413 9.428 10.872 5.172 1 8 [+-******] 1
193 1 10 DG H1' 1 10 DG H4' 2.370 . 2.840 2.736 2.633 2.930 0.090 7 0 "[ . ]" 1
194 1 10 DG H4' 1 10 DG H8 3.990 3.190 4.790 4.870 4.575 4.953 0.163 5 0 "[ . ]" 1
195 1 10 DG Q5' 1 10 DG H8 4.150 3.320 4.980 5.417 4.887 5.815 0.835 1 4 "[+ *-. *]" 1
196 1 10 DG Q2' 1 10 DG H8 . 3.600 4.490 4.015 3.899 4.150 . 0 0 "[ . ]" 1
197 1 10 DG Q2' 1 10 DG H3' 2.330 2.060 2.800 2.336 2.324 2.350 . 0 0 "[ . ]" 1
198 1 10 DG H1' 1 10 DG H3' 3.290 2.630 3.950 3.544 3.476 3.612 . 0 0 "[ . ]" 1
199 1 10 DG H3' 1 10 DG H4' 2.490 . 2.990 2.770 2.749 2.806 . 0 0 "[ . ]" 1
200 1 10 DG H1' 1 10 DG Q2' 2.440 2.100 2.930 2.482 2.452 2.540 . 0 0 "[ . ]" 1
201 1 10 DG Q2' 1 10 DG H4' . 3.380 4.010 3.435 3.416 3.460 . 0 0 "[ . ]" 1
202 1 10 DG H1' 1 10 DG H8 2.330 . 2.800 2.529 2.469 2.609 . 0 0 "[ . ]" 1
203 1 10 DG Q5' 1 11 DG H8 6.000 4.800 7.200 6.435 6.120 6.817 . 0 0 "[ . ]" 1
204 1 10 DG H3' 1 11 DG H8 4.280 3.420 5.140 4.917 4.384 5.199 0.059 2 0 "[ . ]" 1
205 1 10 DG H4' 1 11 DG H8 5.110 4.090 6.130 6.262 5.562 6.520 0.390 8 0 "[ . ]" 1
206 1 10 DG H8 1 11 DG H4' 4.340 3.470 5.210 4.570 4.210 5.057 . 0 0 "[ . ]" 1
207 1 10 DG H8 1 11 DG H1' 3.980 3.180 4.780 4.458 4.306 4.732 . 0 0 "[ . ]" 1
208 1 10 DG Q2' 1 11 DG H8 2.510 2.300 3.010 2.544 2.478 2.580 . 0 0 "[ . ]" 1
209 1 10 DG H1' 1 11 DG H8 3.780 3.020 4.540 4.207 3.770 4.647 0.107 8 0 "[ . ]" 1
210 1 10 DG H8 1 11 DG H8 5.330 4.260 6.400 5.067 4.636 5.314 . 0 0 "[ . ]" 1
211 1 11 DG Q2' 1 11 DG H8 . 2.340 2.780 2.416 2.375 2.444 . 0 0 "[ . ]" 1
212 1 11 DG H1' 1 11 DG H3' 3.550 2.840 4.260 3.665 3.603 3.704 . 0 0 "[ . ]" 1
213 1 11 DG H3' 1 11 DG H8 3.690 2.950 4.430 4.867 4.789 4.932 0.502 4 1 "[ +. ]" 1
214 1 11 DG H4' 1 11 DG H8 5.570 4.460 6.680 5.229 5.053 5.326 . 0 0 "[ . ]" 1
215 1 11 DG H1' 1 11 DG H8 3.950 3.160 4.740 3.935 3.909 3.954 . 0 0 "[ . ]" 1
216 1 11 DG H1' 1 11 DG H4' 2.860 2.290 3.430 3.217 3.133 3.292 . 0 0 "[ . ]" 1
217 1 11 DG H1' 1 11 DG Q2' 2.700 2.160 2.820 2.293 2.281 2.311 . 0 0 "[ . ]" 1
218 1 11 DG Q2' 1 11 DG H3' 2.320 . 2.780 2.307 2.276 2.355 . 0 0 "[ . ]" 1
219 1 11 DG Q2' 1 12 DC H6 . 2.700 3.350 3.050 2.933 3.209 . 0 0 "[ . ]" 1
220 1 11 DG H8 1 12 DC H6 5.060 4.050 6.070 6.158 5.931 6.299 0.229 2 0 "[ . ]" 1
221 1 11 DG H8 1 12 DC H5 4.410 3.530 5.290 4.395 4.129 4.544 . 0 0 "[ . ]" 1
222 1 11 DG Q2' 1 12 DC H5 2.320 2.110 2.780 2.230 2.184 2.279 . 0 0 "[ . ]" 1
223 1 11 DG H3' 1 12 DC H5 3.830 3.060 4.600 4.918 4.779 5.035 0.435 5 0 "[ . ]" 1
224 1 11 DG H3' 1 12 DC H6 5.530 4.420 6.640 4.896 4.810 4.978 . 0 0 "[ . ]" 1
225 1 11 DG H1' 1 12 DC H6 3.040 2.430 3.650 3.310 3.176 3.480 . 0 0 "[ . ]" 1
226 1 12 DC Q2' 1 12 DC H5 3.360 2.690 4.030 4.188 4.163 4.230 0.200 2 0 "[ . ]" 1
227 1 12 DC H3' 1 12 DC H4' 2.360 . 2.830 2.583 2.561 2.611 . 0 0 "[ . ]" 1
228 1 12 DC H1' 1 12 DC H3' 3.680 2.940 4.420 3.851 3.740 3.975 . 0 0 "[ . ]" 1
229 1 12 DC Q2' 1 12 DC H6 2.500 . 3.000 2.217 2.150 2.324 . 0 0 "[ . ]" 1
230 1 12 DC H1' 1 12 DC H6 3.550 2.840 4.260 3.852 3.801 3.876 . 0 0 "[ . ]" 1
231 1 12 DC Q2' 1 12 DC H4' 3.250 2.600 3.900 3.418 3.356 3.480 . 0 0 "[ . ]" 1
232 1 12 DC Q2' 1 12 DC H3' 2.450 . 2.940 2.261 2.223 2.336 . 0 0 "[ . ]" 1
233 1 12 DC H1' 1 12 DC Q2' 2.500 . 3.000 2.390 2.356 2.419 . 0 0 "[ . ]" 1
234 1 12 DC H4' 1 12 DC H5 6.000 4.800 7.200 6.501 6.416 6.707 . 0 0 "[ . ]" 1
235 1 12 DC H4' 1 12 DC H6 3.490 2.790 4.190 4.524 4.309 4.890 0.700 2 1 "[ + . ]" 1
236 1 12 DC H1' 1 12 DC H4' 3.080 2.460 3.700 3.602 3.479 3.764 0.064 3 0 "[ . ]" 1
237 1 12 DC H3' 1 12 DC H6 3.310 2.650 3.970 4.354 4.243 4.520 0.550 2 2 "[-+ . ]" 1
238 1 3 DG H1 1 9 DG H1 5.000 4.000 6.000 4.188 4.054 4.421 . 0 0 "[ . ]" 1
239 1 1 DG H1 1 11 DG H1 5.000 4.000 6.000 4.102 3.970 4.252 0.030 1 0 "[ . ]" 1
240 1 3 DG H22 1 9 DG H1 5.000 4.000 6.000 4.458 4.150 4.678 . 0 0 "[ . ]" 1
241 1 1 DG H1 1 11 DG H22 5.000 4.000 6.000 4.111 4.042 4.247 . 0 0 "[ . ]" 1
242 1 9 DG H1 1 10 DG H8 6.000 4.800 7.200 5.271 4.858 5.604 . 0 0 "[ . ]" 1
243 1 7 DT H6 1 9 DG H1 6.000 4.800 7.200 7.264 7.221 7.320 0.120 4 0 "[ . ]" 1
244 1 4 DC H1' 1 9 DG H1 6.000 4.800 7.200 4.806 4.747 4.922 0.053 3 0 "[ . ]" 1
245 1 5 DT H1' 1 9 DG H1 6.000 4.800 7.200 6.515 6.006 7.034 . 0 0 "[ . ]" 1
246 1 6 DT H1' 1 9 DG H1 6.000 4.800 7.200 4.955 4.785 5.391 0.015 6 0 "[ . ]" 1
247 1 3 DG H21 1 9 DG H1 5.000 4.000 6.000 3.991 3.923 4.102 0.077 3 0 "[ . ]" 1
248 1 7 DT H1' 1 9 DG H1 6.000 4.800 7.200 6.357 5.948 6.900 . 0 0 "[ . ]" 1
249 1 4 DC H5 1 9 DG H1 6.000 4.800 7.200 5.155 5.069 5.240 . 0 0 "[ . ]" 1
250 1 1 DG H1 1 8 DT Q2' 6.000 4.800 7.200 12.968 12.282 13.518 6.318 3 8 [*-+*****] 1
251 1 1 DG H1 1 8 DT M7 6.000 4.800 7.200 13.987 13.517 14.227 7.027 1 8 [+-******] 1
252 1 1 DG H1 1 12 DC H5 5.000 4.000 6.000 5.342 5.267 5.438 . 0 0 "[ . ]" 1
253 1 3 DG H1 1 4 DC H41 4.000 3.200 4.800 4.023 3.695 4.324 . 0 0 "[ . ]" 1
254 1 11 DG H1 1 12 DC Q4 4.000 3.200 4.800 3.307 3.099 3.782 0.101 2 0 "[ . ]" 1
255 1 2 DG H1 1 3 DG H8 5.000 4.000 6.000 6.968 6.378 7.881 1.881 2 6 "[*+ *.*-*]" 1
256 1 10 DG H1 1 11 DG H8 5.000 4.000 6.000 7.329 6.448 8.087 2.087 3 7 "[* +****-]" 1
257 1 9 DG H8 1 10 DG H1 4.000 3.200 4.800 4.405 4.221 4.636 . 0 0 "[ . ]" 1
258 1 1 DG H8 1 2 DG H1 4.000 3.200 4.800 4.651 4.457 4.849 0.049 4 0 "[ . ]" 1
259 1 3 DG H1 1 10 DG H8 6.000 4.800 7.200 5.506 5.296 5.756 . 0 0 "[ . ]" 1
260 1 2 DG H8 1 11 DG H1 5.000 4.000 6.000 5.493 5.399 5.633 . 0 0 "[ . ]" 1
261 1 3 DG H1 1 4 DC H42 5.000 4.000 6.000 4.843 4.401 5.335 . 0 0 "[ . ]" 1
262 1 1 DG H1' 1 2 DG H1 6.000 4.800 7.200 5.824 5.625 5.976 . 0 0 "[ . ]" 1
263 1 9 DG H1' 1 10 DG H1 6.000 4.800 7.200 5.454 5.137 5.824 . 0 0 "[ . ]" 1
264 1 9 DG H2'' 1 10 DG H1 5.000 4.000 6.000 4.732 4.543 4.877 . 0 0 "[ . ]" 1
265 1 1 DG H2'' 1 2 DG H1 5.000 4.000 6.000 5.104 4.775 5.324 . 0 0 "[ . ]" 1
266 1 1 DG H2' 1 2 DG H1 5.000 4.000 6.000 5.733 5.377 5.982 . 0 0 "[ . ]" 1
267 1 9 DG H2' 1 10 DG H1 5.000 4.000 6.000 5.078 4.930 5.218 . 0 0 "[ . ]" 1
268 1 3 DG H21 1 10 DG H8 4.000 3.200 4.800 3.436 3.225 3.682 . 0 0 "[ . ]" 1
269 1 2 DG H8 1 11 DG H21 4.000 3.200 4.800 3.427 3.278 3.539 . 0 0 "[ . ]" 1
270 1 9 DG H8 1 10 DG Q2 4.000 3.200 4.800 3.594 3.417 3.767 . 0 0 "[ . ]" 1
271 1 10 DG Q2 1 11 DG H8 5.000 4.000 6.000 6.183 5.352 6.924 0.924 3 2 "[- + . ]" 1
272 1 2 DG Q2 1 3 DG H8 5.000 4.000 6.000 5.837 5.120 6.930 0.930 2 1 "[ + . ]" 1
273 1 1 DG H8 1 2 DG Q2 4.000 3.200 4.800 4.036 3.879 4.137 . 0 0 "[ . ]" 1
274 1 9 DG H1' 1 10 DG Q2 5.000 4.000 6.000 4.055 3.864 4.404 0.136 1 0 "[ . ]" 1
275 1 1 DG H1' 1 2 DG Q2 5.000 4.000 6.000 4.378 4.077 4.608 . 0 0 "[ . ]" 1
276 1 9 DG H2'' 1 10 DG Q2 3.000 2.400 3.600 2.350 2.292 2.506 0.108 8 0 "[ . ]" 1
277 1 1 DG H2'' 1 2 DG Q2 . 3.200 3.600 2.970 2.952 2.988 0.248 2 0 "[ . ]" 1
278 1 9 DG H2' 1 10 DG Q2 . 3.200 3.600 3.111 2.850 3.261 0.350 3 0 "[ . ]" 1
279 1 1 DG H2' 1 2 DG Q2 4.000 3.200 4.800 3.984 3.879 4.091 . 0 0 "[ . ]" 1
280 1 8 DT Q2' 1 12 DC Q4 . 3.200 3.600 10.881 10.081 11.138 7.538 1 8 [+-******] 1
281 1 8 DT H4' 1 12 DC Q4 6.000 4.800 7.200 13.127 12.289 13.484 6.284 1 8 [+-******] 1
282 1 8 DT H3' 1 12 DC Q4 5.000 4.800 6.000 13.871 13.029 14.261 8.261 1 8 [+-******] 1
283 1 8 DT H1' 1 12 DC Q4 5.000 4.000 6.000 11.638 10.984 12.019 6.019 1 8 [+-******] 1
284 2 1 DG H3' 2 1 DG Q5' 2.860 2.290 3.430 2.898 2.794 3.038 . 0 0 "[ . ]" 1
285 2 1 DG H4' 2 1 DG H8 4.130 3.300 4.960 5.141 5.066 5.193 0.233 4 0 "[ . ]" 1
286 2 1 DG H2'' 2 1 DG H8 2.900 2.320 3.480 3.435 3.369 3.512 0.032 1 0 "[ . ]" 1
287 2 1 DG H1' 2 1 DG H3' 3.510 2.810 4.210 3.572 3.516 3.679 . 0 0 "[ . ]" 1
288 2 1 DG H1' 2 1 DG H2' 2.560 2.050 3.070 3.088 3.074 3.104 0.034 4 0 "[ . ]" 1
289 2 1 DG H2' 2 1 DG H8 2.280 . 2.740 2.420 2.386 2.478 . 0 0 "[ . ]" 1
290 2 1 DG H1' 2 1 DG H2'' 2.250 . 2.700 2.412 2.394 2.442 . 0 0 "[ . ]" 1
291 2 1 DG H1' 2 1 DG H8 3.500 2.800 4.200 3.877 3.860 3.901 . 0 0 "[ . ]" 1
292 2 1 DG H2' 2 1 DG H4' 3.510 2.810 4.210 3.665 3.643 3.707 . 0 0 "[ . ]" 1
293 2 1 DG H3' 2 1 DG H4' 2.430 . 2.920 2.747 2.714 2.782 . 0 0 "[ . ]" 1
294 2 1 DG H2'' 2 1 DG H4' 3.320 2.660 3.980 4.070 4.050 4.087 0.107 2 0 "[ . ]" 1
295 2 1 DG H1' 2 1 DG H4' 2.850 2.280 3.420 3.111 3.073 3.157 . 0 0 "[ . ]" 1
296 2 1 DG H2' 2 1 DG H3' 2.190 . 2.630 2.441 2.375 2.488 . 0 0 "[ . ]" 1
297 2 1 DG Q5' 2 1 DG H8 2.290 . 2.950 3.500 3.437 3.557 0.607 7 7 [-***.*+*] 1
298 2 1 DG H2'' 2 1 DG H3' 2.450 . 2.940 2.631 2.577 2.679 . 0 0 "[ . ]" 1
299 2 1 DG H3' 2 1 DG H8 3.480 2.780 4.180 4.801 4.710 4.898 0.718 2 8 [*+*-****] 1
300 2 1 DG H3' 2 3 DG H8 6.000 4.800 7.200 10.698 9.887 11.668 4.468 2 8 [*+**-***] 1
301 2 1 DG H8 2 3 DG H8 4.740 3.790 5.690 10.424 9.635 11.438 5.748 2 8 [*+-*****] 1
302 2 1 DG H8 2 8 DT M7 4.500 3.600 5.400 13.941 13.499 14.209 8.809 1 8 [+*-*****] 1
303 2 1 DG H1' 2 8 DT M7 4.570 3.660 5.480 14.402 14.153 14.839 9.359 8 8 [***-***+] 1
304 2 1 DG H4' 2 8 DT M7 5.220 4.180 6.260 16.526 16.365 16.903 10.643 8 8 [**-****+] 1
305 2 2 DG H4' 2 2 DG H8 4.370 3.500 5.240 5.211 4.892 5.416 0.176 4 0 "[ . ]" 1
306 2 2 DG Q5' 2 2 DG H8 3.740 2.990 4.490 5.150 4.767 5.441 0.951 2 5 "[*+-*.* ]" 1
307 2 2 DG Q2' 2 2 DG H4' 3.720 3.130 4.460 3.472 3.459 3.487 . 0 0 "[ . ]" 1
308 2 2 DG Q2' 2 2 DG H8 4.430 3.540 4.480 3.870 3.696 4.110 . 0 0 "[ . ]" 1
309 2 2 DG H1' 2 2 DG H4' 2.690 2.150 3.230 3.169 3.105 3.242 0.012 7 0 "[ . ]" 1
310 2 2 DG Q2' 2 2 DG H3' 2.450 . 2.660 2.272 2.241 2.292 . 0 0 "[ . ]" 1
311 2 2 DG H1' 2 2 DG H8 2.170 . 2.600 2.447 2.423 2.489 . 0 0 "[ . ]" 1
312 2 2 DG H1' 2 2 DG H3' 3.340 2.670 4.010 3.629 3.540 3.737 . 0 0 "[ . ]" 1
313 2 2 DG H3' 2 2 DG H4' 2.530 2.020 3.040 2.746 2.739 2.758 . 0 0 "[ . ]" 1
314 2 2 DG H1' 2 2 DG Q2' 2.590 2.070 2.740 2.394 2.380 2.419 . 0 0 "[ . ]" 1
315 2 2 DG H3' 2 2 DG H8 5.640 4.510 6.770 5.914 5.799 6.012 . 0 0 "[ . ]" 1
316 2 2 DG H3' 2 3 DG H8 4.280 3.420 5.140 4.907 4.660 5.191 0.051 5 0 "[ . ]" 1
317 2 2 DG H8 2 3 DG H1' 4.200 3.360 5.040 4.394 4.220 4.578 . 0 0 "[ . ]" 1
318 2 2 DG H8 2 3 DG H8 5.920 4.740 7.100 5.194 4.785 5.480 . 0 0 "[ . ]" 1
319 2 2 DG H1' 2 3 DG H8 4.080 3.260 4.900 4.430 4.207 4.650 . 0 0 "[ . ]" 1
320 2 2 DG Q2' 2 3 DG H8 2.510 2.220 3.010 2.532 2.500 2.576 . 0 0 "[ . ]" 1
321 2 2 DG H8 2 3 DG H4' 4.080 3.260 4.900 4.230 4.126 4.377 . 0 0 "[ . ]" 1
322 2 3 DG H1' 2 3 DG H3' 3.400 2.720 4.080 3.689 3.621 3.790 . 0 0 "[ . ]" 1
323 2 3 DG H2' 2 3 DG H3' 2.160 . 2.590 2.337 2.241 2.408 . 0 0 "[ . ]" 1
324 2 3 DG H2'' 2 3 DG H3' 2.380 . 2.860 2.679 2.597 2.800 . 0 0 "[ . ]" 1
325 2 3 DG H1' 2 3 DG H4' 2.820 2.260 3.380 3.173 2.981 3.306 . 0 0 "[ . ]" 1
326 2 3 DG H1' 2 3 DG H2'' 2.350 . 2.820 2.433 2.337 2.529 . 0 0 "[ . ]" 1
327 2 3 DG H4' 2 3 DG H8 6.000 4.800 7.200 5.160 5.042 5.281 . 0 0 "[ . ]" 1
328 2 3 DG H3' 2 3 DG H8 3.530 2.820 4.240 4.749 4.572 4.872 0.632 2 4 "[ + .**-]" 1
329 2 3 DG H1' 2 3 DG H8 3.890 3.110 4.670 3.981 3.921 4.028 . 0 0 "[ . ]" 1
330 2 3 DG H1' 2 3 DG H2' 2.660 2.130 3.190 3.082 3.058 3.112 . 0 0 "[ . ]" 1
331 2 3 DG H2'' 2 3 DG H8 2.780 2.220 3.340 3.753 3.509 3.984 0.644 5 2 "[ -+ ]" 1
332 2 3 DG H4' 2 4 DC H6 5.200 4.160 6.240 5.512 5.186 5.848 . 0 0 "[ . ]" 1
333 2 3 DG H2'' 2 4 DC H6 2.790 2.230 3.350 2.681 2.475 2.952 . 0 0 "[ . ]" 1
334 2 3 DG H8 2 4 DC H5 4.360 3.490 5.230 4.448 4.074 4.719 . 0 0 "[ . ]" 1
335 2 3 DG H3' 2 4 DC H6 4.320 3.460 5.180 4.742 4.615 4.899 . 0 0 "[ . ]" 1
336 2 3 DG H8 2 4 DC H6 5.620 4.500 6.740 5.869 5.659 6.096 . 0 0 "[ . ]" 1
337 2 3 DG H1' 2 4 DC H6 2.890 2.310 3.470 3.098 2.972 3.331 . 0 0 "[ . ]" 1
338 2 3 DG H3' 2 4 DC H5 4.150 3.320 4.980 5.162 5.022 5.232 0.252 1 0 "[ . ]" 1
339 2 3 DG H2'' 2 4 DC H5 2.330 . 2.800 2.528 2.406 2.630 . 0 0 "[ . ]" 1
340 2 3 DG H2' 2 4 DC H5 2.810 2.250 3.370 3.686 3.335 4.091 0.721 8 3 "[- . *+]" 1
341 2 4 DC H2' 2 4 DC H6 2.200 . 2.640 2.162 2.059 2.254 . 0 0 "[ . ]" 1
342 2 4 DC H1' 2 4 DC H2' 2.700 2.160 3.240 3.102 3.077 3.126 . 0 0 "[ . ]" 1
343 2 4 DC H3' 2 4 DC H4' 2.520 2.020 3.020 2.595 2.563 2.643 . 0 0 "[ . ]" 1
344 2 4 DC H1' 2 4 DC H2'' 2.320 . 2.780 2.431 2.416 2.454 . 0 0 "[ . ]" 1
345 2 4 DC H1' 2 4 DC H3' 3.550 2.840 4.260 3.600 3.552 3.679 . 0 0 "[ . ]" 1
346 2 4 DC H2'' 2 4 DC H3' 2.480 . 2.980 2.699 2.676 2.716 . 0 0 "[ . ]" 1
347 2 4 DC H2' 2 4 DC H3' 2.320 . 2.780 2.424 2.371 2.463 . 0 0 "[ . ]" 1
348 2 4 DC H4' 2 4 DC H6 4.230 3.380 5.080 4.734 4.539 4.865 . 0 0 "[ . ]" 1
349 2 4 DC H2' 2 4 DC H4' 3.340 2.670 4.010 3.618 3.584 3.645 . 0 0 "[ . ]" 1
350 2 4 DC H2'' 2 4 DC H5 4.080 3.260 4.900 5.315 5.186 5.397 0.497 5 0 "[ . ]" 1
351 2 4 DC H3' 2 4 DC H6 3.320 2.660 3.980 4.452 4.265 4.571 0.591 8 4 "[-* . *+]" 1
352 2 4 DC H2'' 2 4 DC H4' 3.210 2.570 3.850 4.164 4.118 4.193 0.343 1 0 "[ . ]" 1
353 2 4 DC H2'' 2 4 DC H6 2.560 2.050 3.070 3.315 3.158 3.441 0.371 7 0 "[ . ]" 1
354 2 4 DC H1' 2 4 DC H4' 3.140 2.510 3.770 3.359 3.211 3.452 . 0 0 "[ . ]" 1
355 2 4 DC H1' 2 4 DC H6 3.500 2.800 4.200 3.732 3.703 3.767 . 0 0 "[ . ]" 1
356 2 4 DC H1' 2 5 DT H3' 4.730 3.780 5.680 5.459 4.644 6.137 0.457 5 0 "[ . ]" 1
357 2 4 DC H1' 2 5 DT H1' 4.000 3.200 4.800 4.796 4.617 4.969 0.169 7 0 "[ . ]" 1
358 2 4 DC H1' 2 5 DT H4' 5.140 4.110 6.170 4.472 4.301 4.618 . 0 0 "[ . ]" 1
359 2 4 DC H3' 2 5 DT H6 3.230 2.580 3.880 3.441 3.202 3.669 . 0 0 "[ . ]" 1
360 2 4 DC H4' 2 5 DT H6 4.070 3.260 4.880 4.912 4.783 4.995 0.115 4 0 "[ . ]" 1
361 2 4 DC H1' 2 5 DT H6 3.360 2.690 4.030 3.827 3.549 4.113 0.083 8 0 "[ . ]" 1
362 2 4 DC H3' 2 6 DT M7 3.890 3.110 4.670 4.778 4.679 5.071 0.401 3 0 "[ . ]" 1
363 2 4 DC H5 2 6 DT M7 4.040 3.230 4.850 4.346 4.051 4.855 0.005 3 0 "[ . ]" 1
364 2 4 DC H1' 2 6 DT M7 4.290 3.430 5.150 2.769 2.643 2.966 0.787 1 7 "[+-***** ]" 1
365 2 4 DC H1' 2 7 DT M7 5.340 4.270 6.410 6.479 6.266 6.593 0.183 8 0 "[ . ]" 1
366 2 5 DT H2'' 2 5 DT H4' 3.120 2.500 3.740 3.544 3.178 4.027 0.287 3 0 "[ . ]" 1
367 2 5 DT Q5' 2 5 DT H6 3.460 2.770 4.150 3.851 3.506 4.199 0.049 6 0 "[ . ]" 1
368 2 5 DT H2' 2 5 DT H6 2.360 . 2.830 2.418 2.214 2.653 . 0 0 "[ . ]" 1
369 2 5 DT H6 2 5 DT M7 2.910 2.330 3.490 2.362 2.273 2.494 0.057 1 0 "[ . ]" 1
370 2 5 DT H1' 2 5 DT M7 4.780 3.820 5.740 5.185 5.138 5.220 . 0 0 "[ . ]" 1
371 2 5 DT H3' 2 5 DT M7 4.220 3.380 5.060 5.034 4.521 5.803 0.743 7 2 "[ - . + ]" 1
372 2 5 DT H1' 2 5 DT H4' 2.850 2.280 3.420 2.929 2.766 3.164 . 0 0 "[ . ]" 1
373 2 5 DT H4' 2 5 DT H6 3.700 2.960 4.440 4.431 4.361 4.531 0.091 3 0 "[ . ]" 1
374 2 5 DT H3' 2 5 DT H4' 2.590 2.070 3.110 2.834 2.650 2.962 . 0 0 "[ . ]" 1
375 2 5 DT H3' 2 5 DT H6 2.960 2.370 3.550 3.456 2.906 4.313 0.763 3 3 "[ + - * ]" 1
376 2 5 DT H1' 2 5 DT H2'' 2.350 . 2.820 2.393 2.319 2.492 . 0 0 "[ . ]" 1
377 2 5 DT H2'' 2 5 DT H3' 2.450 . 2.940 2.867 2.622 3.005 0.065 2 0 "[ . ]" 1
378 2 5 DT H2' 2 5 DT H3' 2.300 . 2.760 2.290 2.251 2.337 . 0 0 "[ . ]" 1
379 2 5 DT H1' 2 5 DT H2' 2.740 2.190 3.290 3.021 2.934 3.146 . 0 0 "[ . ]" 1
380 2 5 DT H1' 2 5 DT H3' 3.530 2.820 4.240 3.803 3.637 3.891 . 0 0 "[ . ]" 1
381 2 5 DT H3' 2 5 DT Q5' 2.580 2.060 3.100 2.681 2.635 2.730 . 0 0 "[ . ]" 1
382 2 5 DT H1' 2 5 DT H6 3.170 2.540 3.800 3.670 3.637 3.725 . 0 0 "[ . ]" 1
383 2 5 DT H2' 2 5 DT H4' 3.350 2.680 4.020 3.786 3.617 3.881 . 0 0 "[ . ]" 1
384 2 5 DT H3' 2 6 DT M7 5.670 4.540 6.800 5.052 4.886 5.414 . 0 0 "[ . ]" 1
385 2 5 DT H2'' 2 6 DT M7 3.730 2.980 4.480 4.375 4.191 4.613 0.133 6 0 "[ . ]" 1
386 2 5 DT H1' 2 6 DT Q2' 3.320 3.180 3.980 3.716 3.537 4.030 0.050 3 0 "[ . ]" 1
387 2 5 DT H3' 2 6 DT Q5' 3.100 2.480 3.720 3.868 3.491 4.047 0.327 1 0 "[ . ]" 1
388 2 5 DT H3' 2 7 DT M7 4.110 3.290 4.930 6.191 5.835 6.496 1.566 7 8 [****-*+*] 1
389 2 5 DT H2'' 2 7 DT M7 3.470 2.780 4.160 4.286 3.931 4.689 0.529 7 1 "[ . + ]" 1
390 2 5 DT H1' 2 7 DT H6 5.770 4.620 6.920 5.657 5.512 5.880 . 0 0 "[ . ]" 1
391 2 5 DT H4' 2 7 DT M7 4.760 3.810 5.710 5.217 4.880 6.017 0.307 7 0 "[ . ]" 1
392 2 5 DT H1' 2 7 DT M7 4.300 3.440 5.160 3.137 2.957 3.482 0.483 5 0 "[ . ]" 1
393 2 6 DT Q2' 2 6 DT H4' 2.990 2.780 3.590 3.265 3.245 3.316 . 0 0 "[ . ]" 1
394 2 6 DT H1' 2 6 DT Q2' 2.750 2.200 2.750 2.350 2.321 2.395 . 0 0 "[ . ]" 1
395 2 6 DT H1' 2 6 DT H3' 3.950 3.160 4.740 3.909 3.846 4.007 . 0 0 "[ . ]" 1
396 2 6 DT H3' 2 6 DT H6 3.340 2.670 4.010 4.427 4.318 4.547 0.537 3 2 "[ -+ . ]" 1
397 2 6 DT H1' 2 6 DT H4' 3.010 2.410 3.610 2.936 2.876 3.087 . 0 0 "[ . ]" 1
398 2 6 DT H6 2 6 DT M7 2.940 2.350 3.530 2.431 2.369 2.468 . 0 0 "[ . ]" 1
399 2 6 DT Q2' 2 6 DT H3' 2.610 2.090 2.780 2.241 2.209 2.266 . 0 0 "[ . ]" 1
400 2 6 DT H3' 2 6 DT H4' 2.530 2.020 3.040 2.743 2.673 2.818 . 0 0 "[ . ]" 1
401 2 6 DT H4' 2 6 DT H6 3.650 2.920 4.380 4.398 4.327 4.469 0.089 7 0 "[ . ]" 1
402 2 6 DT Q2' 2 6 DT H6 2.870 2.300 2.890 2.413 2.359 2.474 . 0 0 "[ . ]" 1
403 2 6 DT Q5' 2 6 DT H6 3.630 2.900 4.360 3.642 3.539 3.899 . 0 0 "[ . ]" 1
404 2 6 DT H3' 2 6 DT Q5' 2.590 2.070 3.110 2.689 2.623 2.789 . 0 0 "[ . ]" 1
405 2 6 DT H1' 2 6 DT H6 3.070 2.460 3.680 3.595 3.550 3.676 . 0 0 "[ . ]" 1
406 2 6 DT Q2' 2 7 DT M7 4.280 3.420 5.140 2.598 2.457 2.771 0.963 3 8 [**+-****] 1
407 2 6 DT H6 2 7 DT M7 4.280 3.420 5.140 3.282 3.046 3.536 0.374 3 0 "[ . ]" 1
408 2 6 DT H4' 2 7 DT H6 4.570 3.660 5.480 6.464 6.399 6.628 1.148 5 8 [****+*-*] 1
409 2 6 DT H3' 2 7 DT M7 3.630 2.900 4.360 4.190 3.954 4.467 0.107 5 0 "[ . ]" 1
410 2 6 DT Q2' 2 7 DT H6 3.340 2.670 3.420 2.723 2.695 2.777 . 0 0 "[ . ]" 1
411 2 6 DT H3' 2 7 DT H6 3.600 2.880 4.320 4.738 4.569 5.023 0.703 5 2 "[- + ]" 1
412 2 6 DT H6 2 7 DT H6 4.430 3.540 5.320 4.545 4.447 4.604 . 0 0 "[ . ]" 1
413 2 6 DT H1' 2 7 DT H6 4.670 3.740 5.600 5.001 4.771 5.168 . 0 0 "[ . ]" 1
414 2 6 DT H4' 2 7 DT M7 4.390 3.510 5.270 5.759 5.610 5.941 0.671 5 3 "[ * -+ ]" 1
415 2 6 DT H1' 2 7 DT M7 4.770 3.820 5.720 5.227 5.013 5.455 . 0 0 "[ . ]" 1
416 2 7 DT Q2' 2 7 DT H4' 2.980 2.390 3.580 2.975 2.756 3.182 . 0 0 "[ . ]" 1
417 2 7 DT Q2' 2 7 DT H3' 2.320 . 2.740 2.187 2.136 2.249 . 0 0 "[ . ]" 1
418 2 7 DT H1' 2 7 DT H6 3.060 2.450 3.670 3.628 3.539 3.735 0.065 3 0 "[ . ]" 1
419 2 7 DT H6 2 7 DT M7 2.890 2.310 3.470 2.390 2.325 2.434 . 0 0 "[ . ]" 1
420 2 7 DT H1' 2 7 DT M7 6.000 4.800 7.200 5.126 5.065 5.183 . 0 0 "[ . ]" 1
421 2 7 DT H5' 2 7 DT H6 3.960 3.170 4.750 4.451 4.315 4.687 . 0 0 "[ . ]" 1
422 2 7 DT H3' 2 7 DT M7 5.730 4.580 6.880 4.955 4.592 5.445 . 0 0 "[ . ]" 1
423 2 7 DT H3' 2 7 DT H4' 2.190 . 2.630 2.662 2.506 2.752 0.122 5 0 "[ . ]" 1
424 2 7 DT Q2' 2 7 DT H6 2.440 . 2.930 2.531 2.236 2.743 . 0 0 "[ . ]" 1
425 2 7 DT H3' 2 7 DT H6 2.970 2.380 3.560 3.334 2.992 3.871 0.311 3 0 "[ . ]" 1
426 2 7 DT H1' 2 7 DT H3' 3.550 2.840 4.260 3.908 3.863 3.960 . 0 0 "[ . ]" 1
427 2 7 DT H1' 2 7 DT H4' 2.980 2.380 3.580 2.923 2.877 2.996 . 0 0 "[ . ]" 1
428 2 7 DT H1' 2 7 DT Q2' 2.700 2.160 2.820 2.323 2.306 2.336 . 0 0 "[ . ]" 1
429 2 7 DT H1' 2 8 DT H4' 4.260 3.410 5.110 4.524 4.204 4.748 . 0 0 "[ . ]" 1
430 2 7 DT H4' 2 8 DT H6 4.800 3.840 5.760 5.980 5.662 6.317 0.557 5 1 "[ + ]" 1
431 2 7 DT Q2' 2 8 DT H4' 3.870 3.100 4.640 5.095 4.761 5.384 0.744 3 4 "[* + . -*]" 1
432 2 7 DT H1' 2 8 DT M7 4.380 3.500 5.260 5.474 5.276 5.779 0.519 1 1 "[+ . ]" 1
433 2 7 DT H4' 2 8 DT Q5' 2.910 2.330 3.490 3.186 3.059 3.392 . 0 0 "[ . ]" 1
434 2 7 DT H1' 2 8 DT H6 4.840 3.870 5.810 5.141 4.781 5.494 . 0 0 "[ . ]" 1
435 2 7 DT H4' 2 8 DT H1' 5.420 4.340 6.500 4.405 4.149 4.658 0.191 2 0 "[ . ]" 1
436 2 8 DT Q5' 2 8 DT H6 3.320 2.660 3.980 3.925 3.836 4.070 0.090 2 0 "[ . ]" 1
437 2 8 DT Q2' 2 8 DT H4' 3.340 2.730 4.010 3.347 3.294 3.421 . 0 0 "[ . ]" 1
438 2 8 DT H4' 2 8 DT H6 4.370 3.500 5.240 5.010 4.883 5.093 . 0 0 "[ . ]" 1
439 2 8 DT H3' 2 8 DT H6 3.060 2.450 3.670 3.943 3.602 4.204 0.534 7 1 "[ . + ]" 1
440 2 8 DT H4' 2 8 DT Q5' 2.480 . 2.980 2.533 2.510 2.556 . 0 0 "[ . ]" 1
441 2 8 DT H1' 2 8 DT Q2' 2.380 2.210 2.860 2.327 2.312 2.343 . 0 0 "[ . ]" 1
442 2 8 DT H3' 2 8 DT H4' 2.570 2.060 3.080 2.931 2.881 3.007 . 0 0 "[ . ]" 1
443 2 8 DT Q2' 2 8 DT H3' 2.570 2.060 2.820 2.226 2.211 2.261 . 0 0 "[ . ]" 1
444 2 8 DT Q2' 2 8 DT H6 . 2.210 2.690 2.199 2.178 2.232 0.032 2 0 "[ . ]" 1
445 2 8 DT H1' 2 8 DT H3' 3.740 2.990 4.490 4.059 4.034 4.074 . 0 0 "[ . ]" 1
446 2 8 DT H1' 2 8 DT H6 3.320 2.660 3.980 3.725 3.709 3.739 . 0 0 "[ . ]" 1
447 2 8 DT Q2' 2 8 DT Q5' 3.670 2.940 4.400 3.578 3.383 3.744 . 0 0 "[ . ]" 1
448 2 8 DT H3' 2 8 DT M7 6.000 4.800 7.200 5.526 5.196 5.794 . 0 0 "[ . ]" 1
449 2 8 DT H6 2 8 DT M7 3.020 2.420 3.620 2.333 2.247 2.394 0.173 2 0 "[ . ]" 1
450 2 8 DT H1' 2 8 DT H4' 3.100 2.480 3.720 3.039 2.986 3.132 . 0 0 "[ . ]" 1
451 2 8 DT H3' 2 8 DT Q5' 2.670 2.140 3.200 2.615 2.589 2.661 . 0 0 "[ . ]" 1
452 2 8 DT Q2' 2 9 DG H8 . 3.510 4.010 3.284 3.189 3.370 0.321 1 0 "[ . ]" 1
453 2 8 DT Q5' 2 9 DG H8 4.340 3.470 5.210 5.482 5.290 5.594 0.384 7 0 "[ . ]" 1
454 2 8 DT H4' 2 9 DG H8 3.000 2.400 3.600 3.721 3.534 3.818 0.218 7 0 "[ . ]" 1
455 2 8 DT H6 2 9 DG H8 6.000 4.800 7.200 6.731 6.681 6.799 . 0 0 "[ . ]" 1
456 2 8 DT H1' 2 9 DG H8 3.930 3.140 4.720 3.890 3.755 4.048 . 0 0 "[ . ]" 1
457 2 8 DT H3' 2 9 DG H8 5.380 4.300 6.460 4.532 4.403 4.826 . 0 0 "[ . ]" 1
458 2 8 DT H3' 2 12 DC H5 4.680 3.740 5.620 17.614 16.630 18.342 12.722 1 8 [+-******] 1
459 2 9 DG H2' 2 9 DG H8 2.280 . 2.740 2.316 2.290 2.343 . 0 0 "[ . ]" 1
460 2 9 DG H4' 2 9 DG H8 4.310 3.450 5.170 4.817 4.657 5.007 . 0 0 "[ . ]" 1
461 2 9 DG H2' 2 9 DG H4' 3.360 2.690 4.030 3.675 3.625 3.700 . 0 0 "[ . ]" 1
462 2 9 DG H1' 2 9 DG H3' 3.520 2.820 4.220 3.704 3.644 3.731 . 0 0 "[ . ]" 1
463 2 9 DG H3' 2 9 DG H4' 2.500 . 3.000 2.692 2.661 2.718 . 0 0 "[ . ]" 1
464 2 9 DG H1' 2 9 DG H8 3.630 2.900 4.360 3.873 3.835 3.901 . 0 0 "[ . ]" 1
465 2 9 DG H1' 2 9 DG H2' 2.520 2.020 3.020 3.095 3.068 3.128 0.108 7 0 "[ . ]" 1
466 2 9 DG H2'' 2 9 DG H4' 3.570 2.860 4.280 4.096 4.069 4.122 . 0 0 "[ . ]" 1
467 2 9 DG H2'' 2 9 DG H3' 2.540 2.030 3.050 2.708 2.679 2.724 . 0 0 "[ . ]" 1
468 2 9 DG H2' 2 9 DG H3' 2.330 . 2.800 2.403 2.381 2.447 . 0 0 "[ . ]" 1
469 2 9 DG H2'' 2 9 DG H8 2.790 2.230 3.350 3.556 3.459 3.687 0.337 3 0 "[ . ]" 1
470 2 9 DG H1' 2 9 DG H4' 2.810 2.250 3.370 3.303 3.250 3.338 . 0 0 "[ . ]" 1
471 2 9 DG H3' 2 9 DG H8 3.430 2.740 4.120 4.545 4.506 4.601 0.481 2 0 "[ . ]" 1
472 2 9 DG H3' 2 9 DG Q5' 2.630 2.100 3.160 2.781 2.762 2.812 . 0 0 "[ . ]" 1
473 2 9 DG Q5' 2 9 DG H8 3.490 2.790 4.190 3.688 3.486 3.936 . 0 0 "[ . ]" 1
474 2 9 DG H1' 2 9 DG H2'' 2.250 . 2.700 2.371 2.353 2.401 . 0 0 "[ . ]" 1
475 2 9 DG H8 2 11 DG H8 4.750 3.800 5.700 10.353 9.360 10.819 5.119 1 8 [+-******] 1
476 2 10 DG H1' 2 10 DG H4' 2.370 . 2.840 2.746 2.632 2.925 0.085 5 0 "[ . ]" 1
477 2 10 DG H4' 2 10 DG H8 3.990 3.190 4.790 4.878 4.573 5.004 0.214 5 0 "[ . ]" 1
478 2 10 DG Q5' 2 10 DG H8 4.150 3.320 4.980 5.414 4.888 5.785 0.805 1 4 "[+ *-. *]" 1
479 2 10 DG Q2' 2 10 DG H8 . 3.600 4.490 4.016 3.896 4.149 . 0 0 "[ . ]" 1
480 2 10 DG Q2' 2 10 DG H3' 2.330 2.060 2.800 2.338 2.324 2.350 . 0 0 "[ . ]" 1
481 2 10 DG H1' 2 10 DG H3' 3.290 2.630 3.950 3.545 3.477 3.594 . 0 0 "[ . ]" 1
482 2 10 DG H3' 2 10 DG H4' 2.490 . 2.990 2.766 2.741 2.800 . 0 0 "[ . ]" 1
483 2 10 DG H1' 2 10 DG Q2' 2.440 2.100 2.930 2.480 2.456 2.544 . 0 0 "[ . ]" 1
484 2 10 DG Q2' 2 10 DG H4' . 3.380 4.010 3.438 3.416 3.455 . 0 0 "[ . ]" 1
485 2 10 DG H1' 2 10 DG H8 2.330 . 2.800 2.530 2.473 2.612 . 0 0 "[ . ]" 1
486 2 10 DG Q5' 2 11 DG H8 6.000 4.800 7.200 6.411 6.079 6.804 . 0 0 "[ . ]" 1
487 2 10 DG H3' 2 11 DG H8 4.280 3.420 5.140 4.895 4.352 5.181 0.041 2 0 "[ . ]" 1
488 2 10 DG H4' 2 11 DG H8 5.110 4.090 6.130 6.263 5.555 6.524 0.394 8 0 "[ . ]" 1
489 2 10 DG H8 2 11 DG H4' 4.340 3.470 5.210 4.569 4.211 5.052 . 0 0 "[ . ]" 1
490 2 10 DG H8 2 11 DG H1' 3.980 3.180 4.780 4.439 4.294 4.718 . 0 0 "[ . ]" 1
491 2 10 DG Q2' 2 11 DG H8 2.510 2.300 3.010 2.511 2.448 2.552 . 0 0 "[ . ]" 1
492 2 10 DG H1' 2 11 DG H8 3.780 3.020 4.540 4.212 3.768 4.670 0.130 8 0 "[ . ]" 1
493 2 10 DG H8 2 11 DG H8 5.330 4.260 6.400 5.087 4.646 5.334 . 0 0 "[ . ]" 1
494 2 11 DG Q2' 2 11 DG H8 . 2.340 2.780 2.601 2.550 2.645 . 0 0 "[ . ]" 1
495 2 11 DG H1' 2 11 DG H3' 3.550 2.840 4.260 3.668 3.612 3.707 . 0 0 "[ . ]" 1
496 2 11 DG H3' 2 11 DG H8 3.690 2.950 4.430 4.961 4.875 5.034 0.604 2 6 "[ +**.-**]" 1
497 2 11 DG H4' 2 11 DG H8 5.570 4.460 6.680 5.305 5.130 5.406 . 0 0 "[ . ]" 1
498 2 11 DG H1' 2 11 DG H8 3.950 3.160 4.740 3.997 3.975 4.019 . 0 0 "[ . ]" 1
499 2 11 DG H1' 2 11 DG H4' 2.860 2.290 3.430 3.208 3.121 3.276 . 0 0 "[ . ]" 1
500 2 11 DG H1' 2 11 DG Q2' 2.700 2.160 2.820 2.510 2.497 2.524 . 0 0 "[ . ]" 1
501 2 11 DG Q2' 2 11 DG H3' 2.320 . 2.780 2.203 2.171 2.258 . 0 0 "[ . ]" 1
502 2 11 DG Q2' 2 12 DC H6 . 2.700 3.350 3.380 3.248 3.568 0.218 2 0 "[ . ]" 1
503 2 11 DG H8 2 12 DC H6 5.060 4.050 6.070 6.316 6.077 6.483 0.413 2 0 "[ . ]" 1
504 2 11 DG H8 2 12 DC H5 4.410 3.530 5.290 4.428 4.152 4.577 . 0 0 "[ . ]" 1
505 2 11 DG Q2' 2 12 DC H5 2.320 2.110 2.780 2.435 2.378 2.496 . 0 0 "[ . ]" 1
506 2 11 DG H3' 2 12 DC H5 3.830 3.060 4.600 4.944 4.801 5.073 0.473 3 0 "[ . ]" 1
507 2 11 DG H3' 2 12 DC H6 5.530 4.420 6.640 4.945 4.855 5.037 . 0 0 "[ . ]" 1
508 2 11 DG H1' 2 12 DC H6 3.040 2.430 3.650 3.387 3.261 3.560 . 0 0 "[ . ]" 1
509 2 12 DC Q2' 2 12 DC H5 3.360 2.690 4.030 4.232 4.187 4.302 0.272 2 0 "[ . ]" 1
510 2 12 DC H3' 2 12 DC H4' 2.360 . 2.830 2.578 2.547 2.608 . 0 0 "[ . ]" 1
511 2 12 DC H1' 2 12 DC H3' 3.680 2.940 4.420 3.850 3.743 3.973 . 0 0 "[ . ]" 1
512 2 12 DC Q2' 2 12 DC H6 2.500 . 3.000 2.144 2.077 2.222 . 0 0 "[ . ]" 1
513 2 12 DC H1' 2 12 DC H6 3.550 2.840 4.260 3.767 3.710 3.800 . 0 0 "[ . ]" 1
514 2 12 DC Q2' 2 12 DC H4' 3.250 2.600 3.900 3.416 3.349 3.474 . 0 0 "[ . ]" 1
515 2 12 DC Q2' 2 12 DC H3' 2.450 . 2.940 2.253 2.206 2.332 . 0 0 "[ . ]" 1
516 2 12 DC H1' 2 12 DC Q2' 2.500 . 3.000 2.393 2.360 2.421 . 0 0 "[ . ]" 1
517 2 12 DC H4' 2 12 DC H5 6.000 4.800 7.200 6.537 6.444 6.744 . 0 0 "[ . ]" 1
518 2 12 DC H4' 2 12 DC H6 3.490 2.790 4.190 4.442 4.224 4.785 0.595 2 1 "[ + . ]" 1
519 2 12 DC H1' 2 12 DC H4' 3.080 2.460 3.700 3.590 3.476 3.760 0.060 3 0 "[ . ]" 1
520 2 12 DC H3' 2 12 DC H6 3.310 2.650 3.970 4.261 4.160 4.408 0.438 2 0 "[ . ]" 1
521 2 3 DG H1 2 9 DG H1 5.000 4.000 6.000 4.188 4.052 4.422 . 0 0 "[ . ]" 1
522 2 1 DG H1 2 11 DG H1 5.000 4.000 6.000 4.102 3.971 4.251 0.029 1 0 "[ . ]" 1
523 2 3 DG H22 2 9 DG H1 5.000 4.000 6.000 4.456 4.150 4.671 . 0 0 "[ . ]" 1
524 2 1 DG H1 2 11 DG H22 5.000 4.000 6.000 4.111 4.038 4.250 . 0 0 "[ . ]" 1
525 2 9 DG H1 2 10 DG H8 6.000 4.800 7.200 5.270 4.857 5.603 . 0 0 "[ . ]" 1
526 2 7 DT H6 2 9 DG H1 6.000 4.800 7.200 7.264 7.222 7.320 0.120 4 0 "[ . ]" 1
527 2 4 DC H1' 2 9 DG H1 6.000 4.800 7.200 4.808 4.749 4.930 0.051 3 0 "[ . ]" 1
528 2 5 DT H1' 2 9 DG H1 6.000 4.800 7.200 6.516 6.003 7.033 . 0 0 "[ . ]" 1
529 2 6 DT H1' 2 9 DG H1 6.000 4.800 7.200 4.955 4.782 5.393 0.018 6 0 "[ . ]" 1
530 2 3 DG H21 2 9 DG H1 5.000 4.000 6.000 3.992 3.927 4.108 0.073 3 0 "[ . ]" 1
531 2 7 DT H1' 2 9 DG H1 6.000 4.800 7.200 6.359 5.949 6.901 . 0 0 "[ . ]" 1
532 2 4 DC H5 2 9 DG H1 6.000 4.800 7.200 5.173 5.107 5.243 . 0 0 "[ . ]" 1
533 2 1 DG H1 2 8 DT Q2' 6.000 4.800 7.200 12.963 12.298 13.516 6.316 3 8 [*-+*****] 1
534 2 1 DG H1 2 8 DT M7 6.000 4.800 7.200 13.984 13.512 14.228 7.028 1 8 [+-******] 1
535 2 1 DG H1 2 12 DC H5 5.000 4.000 6.000 5.323 5.251 5.421 . 0 0 "[ . ]" 1
536 2 3 DG H1 2 4 DC H41 4.000 3.200 4.800 4.024 3.691 4.327 . 0 0 "[ . ]" 1
537 2 11 DG H1 2 12 DC Q4 4.000 3.200 4.800 3.300 3.108 3.755 0.092 2 0 "[ . ]" 1
538 2 2 DG H1 2 3 DG H8 5.000 4.000 6.000 6.972 6.380 7.883 1.883 2 6 "[*+ *.*-*]" 1
539 2 10 DG H1 2 11 DG H8 5.000 4.000 6.000 7.275 6.390 8.031 2.031 3 7 "[* +****-]" 1
540 2 9 DG H8 2 10 DG H1 4.000 3.200 4.800 4.404 4.221 4.633 . 0 0 "[ . ]" 1
541 2 1 DG H8 2 2 DG H1 4.000 3.200 4.800 4.651 4.456 4.850 0.050 4 0 "[ . ]" 1
542 2 3 DG H1 2 10 DG H8 6.000 4.800 7.200 5.505 5.294 5.758 . 0 0 "[ . ]" 1
543 2 2 DG H8 2 11 DG H1 5.000 4.000 6.000 5.493 5.398 5.634 . 0 0 "[ . ]" 1
544 2 3 DG H1 2 4 DC H42 5.000 4.000 6.000 4.841 4.403 5.325 . 0 0 "[ . ]" 1
545 2 1 DG H1' 2 2 DG H1 6.000 4.800 7.200 5.822 5.625 5.974 . 0 0 "[ . ]" 1
546 2 9 DG H1' 2 10 DG H1 6.000 4.800 7.200 5.453 5.135 5.815 . 0 0 "[ . ]" 1
547 2 9 DG H2'' 2 10 DG H1 5.000 4.000 6.000 4.727 4.541 4.872 . 0 0 "[ . ]" 1
548 2 1 DG H2'' 2 2 DG H1 5.000 4.000 6.000 5.099 4.774 5.322 . 0 0 "[ . ]" 1
549 2 1 DG H2' 2 2 DG H1 5.000 4.000 6.000 5.730 5.372 5.979 . 0 0 "[ . ]" 1
550 2 9 DG H2' 2 10 DG H1 5.000 4.000 6.000 5.080 4.933 5.236 . 0 0 "[ . ]" 1
551 2 3 DG H21 2 10 DG H8 4.000 3.200 4.800 3.435 3.224 3.683 . 0 0 "[ . ]" 1
552 2 2 DG H8 2 11 DG H21 4.000 3.200 4.800 3.426 3.282 3.541 . 0 0 "[ . ]" 1
553 2 9 DG H8 2 10 DG Q2 4.000 3.200 4.800 3.585 3.410 3.761 . 0 0 "[ . ]" 1
554 2 10 DG Q2 2 11 DG H8 5.000 4.000 6.000 6.114 5.276 6.858 0.858 3 1 "[ + . ]" 1
555 2 2 DG Q2 2 3 DG H8 5.000 4.000 6.000 5.841 5.116 6.935 0.935 2 1 "[ + . ]" 1
556 2 1 DG H8 2 2 DG Q2 4.000 3.200 4.800 4.037 3.874 4.148 . 0 0 "[ . ]" 1
557 2 9 DG H1' 2 10 DG Q2 5.000 4.000 6.000 4.060 3.872 4.418 0.128 1 0 "[ . ]" 1
558 2 1 DG H1' 2 2 DG Q2 5.000 4.000 6.000 4.377 4.068 4.602 . 0 0 "[ . ]" 1
559 2 9 DG H2'' 2 10 DG Q2 3.000 2.400 3.600 2.357 2.301 2.525 0.099 8 0 "[ . ]" 1
560 2 1 DG H2'' 2 2 DG Q2 . 3.200 3.600 2.968 2.949 2.990 0.251 2 0 "[ . ]" 1
561 2 9 DG H2' 2 10 DG Q2 . 3.200 3.600 3.117 2.859 3.261 0.341 3 0 "[ . ]" 1
562 2 1 DG H2' 2 2 DG Q2 4.000 3.200 4.800 3.981 3.877 4.085 . 0 0 "[ . ]" 1
563 2 8 DT Q2' 2 12 DC Q4 . 3.200 3.600 10.875 10.105 11.127 7.527 1 8 [+-******] 1
564 2 8 DT H4' 2 12 DC Q4 6.000 4.800 7.200 13.128 12.303 13.486 6.286 1 8 [+-******] 1
565 2 8 DT H3' 2 12 DC Q4 5.000 4.800 6.000 13.868 13.027 14.255 8.255 1 8 [+-******] 1
566 2 8 DT H1' 2 12 DC Q4 5.000 4.000 6.000 11.639 10.981 12.024 6.024 1 8 [+-******] 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 56
_Distance_constraint_stats_list.Viol_count 273
_Distance_constraint_stats_list.Viol_total 64.927
_Distance_constraint_stats_list.Viol_max 0.064
_Distance_constraint_stats_list.Viol_rms 0.0186
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0181
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_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 DG 0.655 0.064 3 0 "[ . ]"
1 2 DG 1.311 0.054 1 0 "[ . ]"
1 3 DG 1.570 0.059 7 0 "[ . ]"
1 4 DC 0.602 0.061 3 0 "[ . ]"
1 9 DG 0.602 0.061 3 0 "[ . ]"
1 10 DG 1.490 0.059 7 0 "[ . ]"
1 11 DG 1.242 0.054 1 0 "[ . ]"
1 12 DC 0.655 0.064 3 0 "[ . ]"
2 1 DG 0.659 0.064 3 0 "[ . ]"
2 2 DG 1.344 0.055 1 0 "[ . ]"
2 3 DG 1.514 0.058 7 0 "[ . ]"
2 4 DC 0.610 0.061 3 0 "[ . ]"
2 9 DG 0.610 0.061 3 0 "[ . ]"
2 10 DG 1.445 0.058 7 0 "[ . ]"
2 11 DG 1.264 0.055 1 0 "[ . ]"
2 12 DC 0.659 0.064 3 0 "[ . ]"
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 H21 1 12 DC O2 1.950 . 2.050 1.878 1.842 1.918 0.008 1 0 "[ . ]" 2
2 1 1 DG N2 1 12 DC O2 2.950 2.850 3.050 2.817 2.794 2.835 0.056 4 0 "[ . ]" 2
3 1 1 DG H1 1 12 DC N3 1.990 . 2.090 1.958 1.894 2.042 . 0 0 "[ . ]" 2
4 1 1 DG N1 1 12 DC N3 2.900 2.800 3.000 2.829 2.797 2.876 0.003 8 0 "[ . ]" 2
5 1 1 DG O6 1 12 DC Q4 1.950 . 2.050 1.889 1.834 1.942 0.016 3 0 "[ . ]" 2
6 1 1 DG O6 1 12 DC N4 2.950 2.850 3.050 2.805 2.786 2.830 0.064 3 0 "[ . ]" 2
7 2 4 DC O2 2 9 DG H21 1.950 . 2.050 1.826 1.813 1.838 0.037 2 0 "[ . ]" 2
8 2 4 DC O2 2 9 DG N2 2.950 2.850 3.050 2.810 2.789 2.820 0.061 3 0 "[ . ]" 2
9 2 4 DC N3 2 9 DG H1 1.990 . 2.090 1.893 1.870 1.932 0.020 7 0 "[ . ]" 2
10 2 4 DC N3 2 9 DG N1 2.900 2.800 3.000 2.881 2.857 2.913 . 0 0 "[ . ]" 2
11 2 4 DC H41 2 9 DG O6 1.950 . 2.050 1.876 1.837 1.919 0.013 7 0 "[ . ]" 2
12 2 4 DC N4 2 9 DG O6 2.950 2.850 3.050 2.870 2.836 2.912 0.014 7 0 "[ . ]" 2
13 1 3 DG H21 1 10 DG N7 1.990 . 2.090 1.956 1.892 2.087 . 0 0 "[ . ]" 2
14 1 3 DG N2 1 10 DG N7 2.900 2.800 3.000 2.903 2.842 3.011 0.011 8 0 "[ . ]" 2
15 1 3 DG H1 1 10 DG O6 1.950 . 2.050 1.824 1.804 1.854 0.046 2 0 "[ . ]" 2
16 1 3 DG N1 1 10 DG O6 2.950 2.850 3.050 2.805 2.791 2.829 0.059 7 0 "[ . ]" 2
17 1 10 DG Q2 2 11 DG N7 1.990 . 2.090 2.120 2.112 2.128 0.038 5 0 "[ . ]" 2
18 1 10 DG N2 2 11 DG N7 2.900 2.800 3.000 3.002 2.983 3.037 0.037 5 0 "[ . ]" 2
19 1 10 DG H1 2 11 DG O6 1.950 . 2.050 1.821 1.810 1.828 0.040 5 0 "[ . ]" 2
20 1 10 DG N1 2 11 DG O6 2.950 2.850 3.050 2.806 2.799 2.816 0.051 5 0 "[ . ]" 2
21 2 2 DG N7 2 11 DG H21 1.990 . 2.090 1.955 1.882 1.994 0.008 2 0 "[ . ]" 2
22 2 2 DG N7 2 11 DG N2 2.900 2.800 3.000 2.910 2.839 2.964 . 0 0 "[ . ]" 2
23 2 2 DG O6 2 11 DG H1 1.950 . 2.050 1.854 1.832 1.884 0.018 8 0 "[ . ]" 2
24 2 2 DG O6 2 11 DG N1 2.950 2.850 3.050 2.813 2.795 2.828 0.055 1 0 "[ . ]" 2
25 1 3 DG N7 2 2 DG Q2 1.990 . 2.090 2.117 2.109 2.126 0.036 4 0 "[ . ]" 2
26 1 3 DG N7 2 2 DG N2 2.900 2.800 3.000 3.019 3.002 3.052 0.052 2 0 "[ . ]" 2
27 1 3 DG O6 2 2 DG H1 1.950 . 2.050 1.815 1.801 1.824 0.049 2 0 "[ . ]" 2
28 1 3 DG O6 2 2 DG N1 2.950 2.850 3.050 2.809 2.798 2.817 0.052 2 0 "[ . ]" 2
29 2 1 DG H21 2 12 DC O2 1.950 . 2.050 1.877 1.843 1.920 0.007 1 0 "[ . ]" 2
30 2 1 DG N2 2 12 DC O2 2.950 2.850 3.050 2.817 2.795 2.833 0.055 4 0 "[ . ]" 2
31 2 1 DG H1 2 12 DC N3 1.990 . 2.090 1.957 1.894 2.040 . 0 0 "[ . ]" 2
32 2 1 DG N1 2 12 DC N3 2.900 2.800 3.000 2.828 2.797 2.877 0.003 8 0 "[ . ]" 2
33 2 1 DG O6 2 12 DC Q4 1.950 . 2.050 1.885 1.831 1.957 0.019 3 0 "[ . ]" 2
34 2 1 DG O6 2 12 DC N4 2.950 2.850 3.050 2.805 2.786 2.831 0.064 3 0 "[ . ]" 2
35 1 4 DC O2 1 9 DG H21 1.950 . 2.050 1.827 1.814 1.841 0.036 2 0 "[ . ]" 2
36 1 4 DC O2 1 9 DG N2 2.950 2.850 3.050 2.810 2.789 2.821 0.061 3 0 "[ . ]" 2
37 1 4 DC N3 1 9 DG H1 1.990 . 2.090 1.892 1.870 1.931 0.020 7 0 "[ . ]" 2
38 1 4 DC N3 1 9 DG N1 2.900 2.800 3.000 2.881 2.858 2.912 . 0 0 "[ . ]" 2
39 1 4 DC H41 1 9 DG O6 1.950 . 2.050 1.876 1.838 1.917 0.012 7 0 "[ . ]" 2
40 1 4 DC N4 1 9 DG O6 2.950 2.850 3.050 2.869 2.836 2.910 0.014 6 0 "[ . ]" 2
41 2 3 DG H21 2 10 DG N7 1.990 . 2.090 1.956 1.894 2.086 . 0 0 "[ . ]" 2
42 2 3 DG N2 2 10 DG N7 2.900 2.800 3.000 2.903 2.841 3.009 0.009 8 0 "[ . ]" 2
43 2 3 DG H1 2 10 DG O6 1.950 . 2.050 1.825 1.804 1.854 0.046 2 0 "[ . ]" 2
44 2 3 DG N1 2 10 DG O6 2.950 2.850 3.050 2.805 2.792 2.827 0.058 7 0 "[ . ]" 2
45 1 11 DG N7 2 10 DG Q2 1.990 . 2.090 2.116 2.106 2.124 0.034 5 0 "[ . ]" 2
46 1 11 DG N7 2 10 DG N2 2.900 2.800 3.000 3.004 2.984 3.037 0.037 5 0 "[ . ]" 2
47 1 11 DG O6 2 10 DG H1 1.950 . 2.050 1.820 1.809 1.830 0.041 5 0 "[ . ]" 2
48 1 11 DG O6 2 10 DG N1 2.950 2.850 3.050 2.806 2.798 2.812 0.052 6 0 "[ . ]" 2
49 1 2 DG N7 1 11 DG H21 1.990 . 2.090 1.956 1.881 1.990 0.009 2 0 "[ . ]" 2
50 1 2 DG N7 1 11 DG N2 2.900 2.800 3.000 2.910 2.838 2.965 . 0 0 "[ . ]" 2
51 1 2 DG O6 1 11 DG H1 1.950 . 2.050 1.854 1.831 1.885 0.019 8 0 "[ . ]" 2
52 1 2 DG O6 1 11 DG N1 2.950 2.850 3.050 2.813 2.796 2.828 0.054 1 0 "[ . ]" 2
53 1 2 DG Q2 2 3 DG N7 1.990 . 2.090 2.114 2.108 2.125 0.035 4 0 "[ . ]" 2
54 1 2 DG N2 2 3 DG N7 2.900 2.800 3.000 3.018 2.998 3.051 0.051 2 0 "[ . ]" 2
55 1 2 DG H1 2 3 DG O6 1.950 . 2.050 1.815 1.805 1.826 0.045 2 0 "[ . ]" 2
56 1 2 DG N1 2 3 DG O6 2.950 2.850 3.050 2.809 2.802 2.821 0.048 2 0 "[ . ]" 2
stop_
save_