NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
371196 |
1cfl   |
4488 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cfl
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 308
_Distance_constraint_stats_list.Viol_count 174
_Distance_constraint_stats_list.Viol_total 19.031
_Distance_constraint_stats_list.Viol_max 1.057
_Distance_constraint_stats_list.Viol_rms 0.1211
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0618
_Distance_constraint_stats_list.Viol_average_violations_only 0.1094
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 0.643 0.145 1 0 "[ ]"
1 2 DG 0.214 0.066 1 0 "[ ]"
1 3 DC 1.287 0.205 1 0 "[ ]"
1 4 DA 0.816 0.205 1 0 "[ ]"
1 5 64T 0.218 0.099 1 0 "[ ]"
1 6 DT 1.211 0.298 1 0 "[ ]"
1 7 DA 2.203 0.307 1 0 "[ ]"
1 8 DC 1.818 0.293 1 0 "[ ]"
1 9 DG 1.011 0.158 1 0 "[ ]"
1 10 DC 0.577 0.222 1 0 "[ ]"
2 1 DG 0.345 0.140 1 0 "[ ]"
2 2 DC 0.914 0.146 1 0 "[ ]"
2 3 DG 2.237 0.977 1 1 [+]
2 4 DT 3.042 0.977 1 1 [+]
2 5 DG 1.440 0.215 1 0 "[ ]"
2 6 DA 3.465 1.057 1 1 [+]
2 7 DT 3.819 1.057 1 1 [+]
2 8 DG 0.763 0.158 1 0 "[ ]"
2 9 DC 1.036 0.196 1 0 "[ ]"
2 10 DG 0.351 0.097 1 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 DC H1' 1 1 DC H6 2.810 2.610 3.160 3.294 3.294 3.294 0.134 1 0 "[ ]" 1
2 1 2 DG H1' 1 2 DG H8 3.190 2.990 3.540 3.554 3.554 3.554 0.014 1 0 "[ ]" 1
3 1 3 DC H1' 1 3 DC H6 3.480 3.280 3.830 3.650 3.650 3.650 . 0 0 "[ ]" 1
4 1 4 DA H1' 1 4 DA H8 3.300 3.100 3.600 3.632 3.632 3.632 0.032 1 0 "[ ]" 1
5 1 6 DT H1' 1 6 DT H6 3.320 3.120 3.620 3.494 3.494 3.494 . 0 0 "[ ]" 1
6 1 7 DA H1' 1 7 DA H8 3.310 3.110 3.660 3.504 3.504 3.504 . 0 0 "[ ]" 1
7 1 8 DC H1' 1 8 DC H6 3.670 3.370 4.020 3.493 3.493 3.493 . 0 0 "[ ]" 1
8 1 9 DG H1' 1 9 DG H8 3.140 2.940 3.440 3.494 3.494 3.494 0.054 1 0 "[ ]" 1
9 1 10 DC H1' 1 10 DC H6 3.670 3.370 4.020 3.497 3.497 3.497 . 0 0 "[ ]" 1
10 2 2 DC H1' 2 2 DC H6 3.230 3.030 3.530 3.542 3.542 3.542 0.012 1 0 "[ ]" 1
11 2 4 DT H1' 2 4 DT H6 3.320 3.120 3.620 3.381 3.381 3.381 . 0 0 "[ ]" 1
12 2 5 DG H1' 2 5 DG H8 3.460 3.210 3.810 3.577 3.577 3.577 . 0 0 "[ ]" 1
13 2 6 DA H1' 2 6 DA H8 3.110 2.910 3.360 3.462 3.462 3.462 0.102 1 0 "[ ]" 1
14 2 7 DT H1' 2 7 DT H6 2.980 2.780 3.230 3.262 3.262 3.262 0.032 1 0 "[ ]" 1
15 2 8 DG H1' 2 8 DG H8 3.390 3.190 3.690 3.702 3.702 3.702 0.012 1 0 "[ ]" 1
16 2 9 DC H1' 2 9 DC H6 3.290 3.090 3.590 3.474 3.474 3.474 . 0 0 "[ ]" 1
17 2 10 DG H1' 2 10 DG H8 3.060 2.760 3.410 3.497 3.497 3.497 0.087 1 0 "[ ]" 1
18 1 2 DG H1' 1 3 DC H6 3.020 2.820 3.220 3.250 3.250 3.250 0.030 1 0 "[ ]" 1
19 1 3 DC H1' 1 4 DA H8 3.200 3.000 3.450 3.563 3.563 3.563 0.113 1 0 "[ ]" 1
20 1 6 DT H1' 1 7 DA H8 3.380 3.180 3.580 3.124 3.124 3.124 0.056 1 0 "[ ]" 1
21 1 7 DA H1' 1 8 DC H6 3.170 2.970 3.370 3.061 3.061 3.061 . 0 0 "[ ]" 1
22 1 8 DC H1' 1 9 DG H8 3.080 2.880 3.280 3.369 3.369 3.369 0.089 1 0 "[ ]" 1
23 1 9 DG H1' 1 10 DC H6 3.090 2.890 3.340 3.255 3.255 3.255 . 0 0 "[ ]" 1
24 2 1 DG H1' 2 2 DC H6 2.870 2.670 3.170 2.991 2.991 2.991 . 0 0 "[ ]" 1
25 2 3 DG H1' 2 4 DT H6 3.100 2.900 3.300 3.266 3.266 3.266 . 0 0 "[ ]" 1
26 2 4 DT H1' 2 5 DG H8 3.110 2.910 3.360 3.343 3.343 3.343 . 0 0 "[ ]" 1
27 2 5 DG H1' 2 6 DA H8 3.330 3.080 3.580 3.279 3.279 3.279 . 0 0 "[ ]" 1
28 2 6 DA H1' 2 7 DT H6 3.330 3.080 3.530 3.256 3.256 3.256 . 0 0 "[ ]" 1
29 2 7 DT H1' 2 8 DG H8 3.420 3.170 3.620 3.145 3.145 3.145 0.025 1 0 "[ ]" 1
30 2 8 DG H1' 2 9 DC H6 2.950 2.750 3.150 2.922 2.922 2.922 . 0 0 "[ ]" 1
31 2 9 DC H1' 2 10 DG H8 3.450 3.150 3.700 3.595 3.595 3.595 . 0 0 "[ ]" 1
32 1 1 DC H6 1 2 DG H8 4.790 4.290 5.090 4.324 4.324 4.324 . 0 0 "[ ]" 1
33 1 2 DG H8 1 3 DC H6 4.710 4.210 5.010 5.043 5.043 5.043 0.033 1 0 "[ ]" 1
34 1 3 DC H6 1 4 DA H8 4.960 4.460 5.160 5.221 5.221 5.221 0.061 1 0 "[ ]" 1
35 1 6 DT H6 1 7 DA H8 4.970 4.470 5.170 4.955 4.955 4.955 . 0 0 "[ ]" 1
36 1 7 DA H8 1 8 DC H6 4.590 4.090 4.790 4.353 4.353 4.353 . 0 0 "[ ]" 1
37 1 8 DC H6 1 9 DG H8 4.440 3.940 4.740 4.787 4.787 4.787 0.047 1 0 "[ ]" 1
38 1 9 DG H8 1 10 DC H6 5.020 4.520 5.320 4.780 4.780 4.780 . 0 0 "[ ]" 1
39 2 3 DG H8 2 4 DT H6 4.730 4.230 5.030 4.794 4.794 4.794 . 0 0 "[ ]" 1
40 2 4 DT H6 2 5 DG H8 4.650 4.150 4.950 5.072 5.072 5.072 0.122 1 0 "[ ]" 1
41 2 5 DG H8 2 6 DA H8 4.860 4.360 5.160 5.315 5.315 5.315 0.155 1 0 "[ ]" 1
42 2 6 DA H8 2 7 DT H6 4.820 4.320 5.120 4.606 4.606 4.606 . 0 0 "[ ]" 1
43 2 7 DT H6 2 8 DG H8 4.940 4.440 5.140 5.298 5.298 5.298 0.158 1 0 "[ ]" 1
44 2 8 DG H8 2 9 DC H6 4.440 3.940 4.740 4.776 4.776 4.776 0.036 1 0 "[ ]" 1
45 1 1 DC H2' 1 1 DC H6 2.560 2.210 2.810 2.065 2.065 2.065 0.145 1 0 "[ ]" 1
46 1 3 DC H2' 1 3 DC H6 2.720 2.420 2.920 2.260 2.260 2.260 0.160 1 0 "[ ]" 1
47 1 7 DA H2' 1 7 DA H8 2.660 2.360 2.860 2.188 2.188 2.188 0.172 1 0 "[ ]" 1
48 1 8 DC H2' 1 8 DC H6 2.640 2.340 2.840 2.126 2.126 2.126 0.214 1 0 "[ ]" 1
49 1 9 DG H2' 1 9 DG H8 2.500 2.200 2.700 2.128 2.128 2.128 0.072 1 0 "[ ]" 1
50 1 10 DC H2' 1 10 DC H6 2.790 2.440 3.040 2.348 2.348 2.348 0.092 1 0 "[ ]" 1
51 2 2 DC H2' 2 2 DC H6 2.460 2.160 2.710 2.067 2.067 2.067 0.093 1 0 "[ ]" 1
52 2 4 DT H2' 2 4 DT H6 2.730 2.380 2.980 2.166 2.166 2.166 0.214 1 0 "[ ]" 1
53 2 5 DG H2' 2 5 DG H8 2.730 2.430 2.930 2.290 2.290 2.290 0.140 1 0 "[ ]" 1
54 2 6 DA Q2' 2 6 DA H8 2.630 2.550 2.830 2.083 2.083 2.083 0.467 1 0 "[ ]" 1
55 2 7 DT H2' 2 7 DT H6 2.740 2.390 2.940 2.176 2.176 2.176 0.214 1 0 "[ ]" 1
56 2 9 DC H2' 2 9 DC H6 2.500 2.200 2.750 2.054 2.054 2.054 0.146 1 0 "[ ]" 1
57 1 1 DC H2'' 1 1 DC H6 2.830 2.530 3.130 3.263 3.263 3.263 0.133 1 0 "[ ]" 1
58 1 3 DC H2'' 1 3 DC H6 3.100 2.800 3.350 3.470 3.470 3.470 0.120 1 0 "[ ]" 1
59 1 6 DT H2'' 1 6 DT H6 2.770 2.470 3.020 2.683 2.683 2.683 . 0 0 "[ ]" 1
60 1 7 DA H2'' 1 7 DA H8 2.870 2.570 3.120 3.427 3.427 3.427 0.307 1 0 "[ ]" 1
61 1 8 DC H2'' 1 8 DC H6 3.000 2.700 3.250 3.362 3.362 3.362 0.112 1 0 "[ ]" 1
62 1 9 DG H2'' 1 9 DG H8 2.900 2.600 3.150 3.308 3.308 3.308 0.158 1 0 "[ ]" 1
63 1 10 DC H2'' 1 10 DC H6 2.920 2.670 3.170 3.392 3.392 3.392 0.222 1 0 "[ ]" 1
64 2 2 DC H2'' 2 2 DC H6 3.150 2.800 3.400 3.299 3.299 3.299 . 0 0 "[ ]" 1
65 2 4 DT H2'' 2 4 DT H6 2.900 2.650 3.150 2.702 2.702 2.702 . 0 0 "[ ]" 1
66 2 5 DG H2'' 2 5 DG H8 3.170 2.770 3.420 3.470 3.470 3.470 0.050 1 0 "[ ]" 1
67 2 7 DT H2'' 2 7 DT H6 3.090 2.790 3.340 2.836 2.836 2.836 . 0 0 "[ ]" 1
68 2 9 DC H2'' 2 9 DC H6 2.860 2.560 3.110 3.306 3.306 3.306 0.196 1 0 "[ ]" 1
69 1 2 DG H2' 1 3 DC H6 3.210 2.960 3.610 3.660 3.660 3.660 0.050 1 0 "[ ]" 1
70 1 3 DC H2' 1 4 DA H8 3.350 3.150 3.650 3.260 3.260 3.260 . 0 0 "[ ]" 1
71 1 6 DT H2' 1 7 DA H8 3.660 3.410 3.960 4.258 4.258 4.258 0.298 1 0 "[ ]" 1
72 1 7 DA H2' 1 8 DC H6 3.220 2.970 3.520 3.039 3.039 3.039 . 0 0 "[ ]" 1
73 1 8 DC H2' 1 9 DG H8 3.160 2.960 3.460 3.507 3.507 3.507 0.047 1 0 "[ ]" 1
74 1 9 DG H2' 1 10 DC H6 3.400 3.200 3.700 3.776 3.776 3.776 0.076 1 0 "[ ]" 1
75 2 1 DG H2' 2 2 DC H6 2.990 2.690 3.340 3.480 3.480 3.480 0.140 1 0 "[ ]" 1
76 2 2 DC H2' 2 3 DG H8 3.410 3.060 3.710 3.783 3.783 3.783 0.073 1 0 "[ ]" 1
77 2 3 DG Q2' 2 4 DT H6 . 3.300 3.350 2.558 2.558 2.558 0.742 1 1 [+] 1
78 2 4 DT H2' 2 5 DG H8 3.400 3.100 3.800 3.596 3.596 3.596 . 0 0 "[ ]" 1
79 2 5 DG H2' 2 6 DA H8 3.450 3.200 3.750 3.776 3.776 3.776 0.026 1 0 "[ ]" 1
80 2 6 DA Q2' 2 7 DT H6 . 3.320 3.450 2.691 2.691 2.691 0.629 1 1 [+] 1
81 2 7 DT H2' 2 8 DG H8 3.700 3.400 4.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
82 2 8 DG H2' 2 9 DC H6 2.990 2.740 3.290 3.409 3.409 3.409 0.119 1 0 "[ ]" 1
83 1 3 DC H2'' 1 4 DA H8 3.120 2.720 3.320 2.515 2.515 2.515 0.205 1 0 "[ ]" 1
84 1 6 DT H2'' 1 7 DA H8 3.480 3.080 3.830 2.818 2.818 2.818 0.262 1 0 "[ ]" 1
85 1 7 DA H2'' 1 8 DC H6 2.910 2.510 3.110 2.395 2.395 2.395 0.115 1 0 "[ ]" 1
86 1 8 DC H2'' 1 9 DG H8 2.870 2.470 3.070 2.332 2.332 2.332 0.138 1 0 "[ ]" 1
87 2 1 DG H2'' 2 2 DC H6 2.940 2.540 3.140 2.473 2.473 2.473 0.067 1 0 "[ ]" 1
88 2 4 DT H2'' 2 5 DG H8 2.880 2.480 3.080 2.420 2.420 2.420 0.060 1 0 "[ ]" 1
89 2 7 DT H2'' 2 8 DG H8 3.110 2.710 3.310 2.622 2.622 2.622 0.088 1 0 "[ ]" 1
90 2 8 DG H2'' 2 9 DC H6 2.870 2.470 3.070 2.414 2.414 2.414 0.056 1 0 "[ ]" 1
91 1 1 DC H3' 1 1 DC H6 3.080 2.830 3.380 3.396 3.396 3.396 0.016 1 0 "[ ]" 1
92 1 3 DC H3' 1 3 DC H6 3.390 3.190 3.640 3.581 3.581 3.581 . 0 0 "[ ]" 1
93 1 4 DA H3' 1 4 DA H8 3.520 3.320 3.770 3.293 3.293 3.293 0.027 1 0 "[ ]" 1
94 1 7 DA H3' 1 7 DA H8 3.270 3.070 3.570 3.403 3.403 3.403 . 0 0 "[ ]" 1
95 1 8 DC H3' 1 8 DC H6 3.300 3.100 3.550 3.607 3.607 3.607 0.057 1 0 "[ ]" 1
96 1 9 DG H3' 1 9 DG H8 3.250 3.050 3.550 3.622 3.622 3.622 0.072 1 0 "[ ]" 1
97 1 10 DC H3' 1 10 DC H6 3.370 3.120 3.670 3.726 3.726 3.726 0.056 1 0 "[ ]" 1
98 2 2 DC H3' 2 2 DC H6 3.130 2.930 3.480 3.585 3.585 3.585 0.105 1 0 "[ ]" 1
99 2 4 DT H3' 2 4 DT H6 3.280 3.080 3.530 3.279 3.279 3.279 . 0 0 "[ ]" 1
100 2 5 DG H3' 2 5 DG H8 3.260 3.060 3.510 3.725 3.725 3.725 0.215 1 0 "[ ]" 1
101 2 6 DA H3' 2 6 DA H8 3.440 3.140 3.740 3.781 3.781 3.781 0.041 1 0 "[ ]" 1
102 2 7 DT H3' 2 7 DT H6 3.340 3.140 3.590 3.555 3.555 3.555 . 0 0 "[ ]" 1
103 2 9 DC H3' 2 9 DC H6 2.900 2.700 3.250 3.302 3.302 3.302 0.052 1 0 "[ ]" 1
104 1 3 DC H3' 1 4 DA H8 4.090 3.790 4.490 4.676 4.676 4.676 0.186 1 0 "[ ]" 1
105 1 5 64T H3' 1 6 DT H6 4.690 4.290 4.990 5.089 5.089 5.089 0.099 1 0 "[ ]" 1
106 1 6 DT H3' 1 7 DA H8 5.050 4.650 5.350 5.190 5.190 5.190 . 0 0 "[ ]" 1
107 1 7 DA H3' 1 8 DC H6 4.150 3.850 4.450 4.743 4.743 4.743 0.293 1 0 "[ ]" 1
108 1 8 DC H3' 1 9 DG H8 4.120 3.820 4.520 4.654 4.654 4.654 0.134 1 0 "[ ]" 1
109 2 2 DC H3' 2 3 DG H8 4.250 3.950 4.550 4.566 4.566 4.566 0.016 1 0 "[ ]" 1
110 2 3 DG H3' 2 4 DT H6 4.500 4.150 4.800 4.805 4.805 4.805 0.005 1 0 "[ ]" 1
111 2 4 DT H3' 2 5 DG H8 3.960 3.710 4.310 4.482 4.482 4.482 0.172 1 0 "[ ]" 1
112 2 5 DG H3' 2 6 DA H8 4.200 3.900 4.500 4.678 4.678 4.678 0.178 1 0 "[ ]" 1
113 2 6 DA H3' 2 7 DT H6 4.430 4.080 4.730 4.890 4.890 4.890 0.160 1 0 "[ ]" 1
114 2 7 DT H3' 2 8 DG H8 4.130 3.880 4.430 4.460 4.460 4.460 0.030 1 0 "[ ]" 1
115 2 8 DG H3' 2 9 DC H6 4.190 3.890 4.490 4.575 4.575 4.575 0.085 1 0 "[ ]" 1
116 1 1 DC H4' 1 1 DC H6 3.780 3.480 4.080 4.133 4.133 4.133 0.053 1 0 "[ ]" 1
117 1 2 DG H4' 1 2 DG H8 4.040 3.790 4.390 4.406 4.406 4.406 0.016 1 0 "[ ]" 1
118 1 3 DC H4' 1 3 DC H6 3.800 3.550 4.050 4.109 4.109 4.109 0.059 1 0 "[ ]" 1
119 1 4 DA H4' 1 4 DA H8 3.970 3.720 4.220 4.329 4.329 4.329 0.109 1 0 "[ ]" 1
120 1 7 DA H4' 1 7 DA H8 3.850 3.600 4.100 4.121 4.121 4.121 0.021 1 0 "[ ]" 1
121 1 8 DC H4' 1 8 DC H6 3.880 3.630 4.130 4.232 4.232 4.232 0.102 1 0 "[ ]" 1
122 1 9 DG H4' 1 9 DG H8 4.110 3.860 4.460 4.442 4.442 4.442 . 0 0 "[ ]" 1
123 1 10 DC H4' 1 10 DC H6 3.960 3.660 4.260 4.286 4.286 4.286 0.026 1 0 "[ ]" 1
124 2 1 DG H4' 2 1 DG H8 4.420 4.170 4.770 4.655 4.655 4.655 . 0 0 "[ ]" 1
125 2 2 DC H4' 2 2 DC H6 3.930 3.680 4.180 4.234 4.234 4.234 0.054 1 0 "[ ]" 1
126 2 3 DG H4' 2 3 DG H8 4.340 4.090 4.690 4.624 4.624 4.624 . 0 0 "[ ]" 1
127 2 4 DT H4' 2 4 DT H6 3.560 3.310 3.810 3.996 3.996 3.996 0.186 1 0 "[ ]" 1
128 2 5 DG H4' 2 5 DG H8 3.900 3.650 4.250 4.252 4.252 4.252 0.002 1 0 "[ ]" 1
129 2 6 DA H4' 2 6 DA H8 4.210 3.910 4.510 4.273 4.273 4.273 . 0 0 "[ ]" 1
130 2 7 DT H4' 2 7 DT H6 3.790 3.540 4.040 4.115 4.115 4.115 0.075 1 0 "[ ]" 1
131 2 8 DG H4' 2 8 DG H8 4.360 3.910 4.660 4.515 4.515 4.515 . 0 0 "[ ]" 1
132 2 9 DC H4' 2 9 DC H6 3.730 3.480 3.980 4.078 4.078 4.078 0.098 1 0 "[ ]" 1
133 1 1 DC H1' 1 1 DC H2' 2.780 2.530 3.080 3.067 3.067 3.067 . 0 0 "[ ]" 1
134 1 2 DG H1' 1 2 DG H2' 2.700 2.400 3.100 2.981 2.981 2.981 . 0 0 "[ ]" 1
135 1 3 DC H1' 1 3 DC H2' 2.960 2.760 3.160 3.005 3.005 3.005 . 0 0 "[ ]" 1
136 1 6 DT H1' 1 6 DT H2' 2.870 2.670 3.070 2.876 2.876 2.876 . 0 0 "[ ]" 1
137 1 7 DA H1' 1 7 DA H2' 2.790 2.590 2.990 3.084 3.084 3.084 0.094 1 0 "[ ]" 1
138 1 8 DC H1' 1 8 DC H2' 2.930 2.730 3.130 3.135 3.135 3.135 0.005 1 0 "[ ]" 1
139 1 9 DG H1' 1 9 DG H2' 2.730 2.430 3.130 3.096 3.096 3.096 . 0 0 "[ ]" 1
140 1 10 DC H1' 1 10 DC H2' 2.470 2.270 2.970 3.061 3.061 3.061 0.091 1 0 "[ ]" 1
141 2 1 DG H1' 2 1 DG H2' 2.670 2.370 3.070 2.971 2.971 2.971 . 0 0 "[ ]" 1
142 2 2 DC H1' 2 2 DC H2' 2.810 2.610 3.010 3.058 3.058 3.058 0.048 1 0 "[ ]" 1
143 2 3 DG H1' 2 3 DG Q2' 2.730 2.430 2.910 2.418 2.418 2.418 0.012 1 0 "[ ]" 1
144 2 4 DT H1' 2 4 DT H2' 2.890 2.690 3.090 3.156 3.156 3.156 0.066 1 0 "[ ]" 1
145 2 5 DG H1' 2 5 DG H2' 2.990 2.790 3.190 3.167 3.167 3.167 . 0 0 "[ ]" 1
146 2 6 DA H1' 2 6 DA Q2' 2.860 2.660 2.920 2.365 2.365 2.365 0.295 1 0 "[ ]" 1
147 2 7 DT H1' 2 7 DT H2' 2.990 2.790 3.190 3.278 3.278 3.278 0.088 1 0 "[ ]" 1
148 2 8 DG H1' 2 8 DG H2' 2.750 2.450 3.150 2.950 2.950 2.950 . 0 0 "[ ]" 1
149 2 9 DC H1' 2 9 DC H2' 2.820 2.620 3.020 3.059 3.059 3.059 0.039 1 0 "[ ]" 1
150 2 10 DG H1' 2 10 DG H2' 2.220 2.020 2.520 2.617 2.617 2.617 0.097 1 0 "[ ]" 1
151 1 1 DC H1' 1 1 DC H2'' 2.330 2.030 2.730 2.232 2.232 2.232 . 0 0 "[ ]" 1
152 1 2 DG H1' 1 2 DG H2'' 2.400 2.100 2.800 2.332 2.332 2.332 . 0 0 "[ ]" 1
153 1 3 DC H1' 1 3 DC H2'' 2.370 2.070 2.770 2.026 2.026 2.026 0.044 1 0 "[ ]" 1
154 1 6 DT H1' 1 6 DT H2'' 2.830 2.530 3.030 2.567 2.567 2.567 . 0 0 "[ ]" 1
155 1 7 DA H1' 1 7 DA H2'' 2.680 2.430 2.880 2.351 2.351 2.351 0.079 1 0 "[ ]" 1
156 1 8 DC H1' 1 8 DC H2'' 2.560 2.360 2.760 2.382 2.382 2.382 . 0 0 "[ ]" 1
157 1 9 DG H1' 1 9 DG H2'' 2.300 . 2.700 2.306 2.306 2.306 . 0 0 "[ ]" 1
158 1 10 DC H1' 1 10 DC H2'' 2.350 2.050 2.750 2.230 2.230 2.230 . 0 0 "[ ]" 1
159 2 1 DG H1' 2 1 DG H2'' 2.420 2.120 2.820 2.373 2.373 2.373 . 0 0 "[ ]" 1
160 2 2 DC H1' 2 2 DC H2'' 2.450 2.250 2.650 2.232 2.232 2.232 0.018 1 0 "[ ]" 1
161 2 4 DT H1' 2 4 DT H2'' 2.550 2.350 2.750 2.562 2.562 2.562 . 0 0 "[ ]" 1
162 2 5 DG H1' 2 5 DG H2'' 2.670 2.470 2.870 2.421 2.421 2.421 0.049 1 0 "[ ]" 1
163 2 7 DT H1' 2 7 DT H2'' 2.700 2.500 2.900 2.455 2.455 2.455 0.045 1 0 "[ ]" 1
164 2 8 DG H1' 2 8 DG H2'' 2.350 2.050 2.750 2.473 2.473 2.473 . 0 0 "[ ]" 1
165 2 9 DC H1' 2 9 DC H2'' 2.410 2.210 2.610 2.224 2.224 2.224 . 0 0 "[ ]" 1
166 2 10 DG H1' 2 10 DG H2'' 2.630 2.430 2.830 2.383 2.383 2.383 0.047 1 0 "[ ]" 1
167 1 1 DC H2' 1 1 DC H3' 2.580 2.330 2.830 2.320 2.320 2.320 0.010 1 0 "[ ]" 1
168 1 3 DC H2' 1 3 DC H3' 2.600 2.400 2.800 2.413 2.413 2.413 . 0 0 "[ ]" 1
169 1 6 DT H2' 1 6 DT H3' 2.580 2.380 2.780 2.218 2.218 2.218 0.162 1 0 "[ ]" 1
170 2 2 DC H2' 2 2 DC H3' 2.500 2.300 2.700 2.234 2.234 2.234 0.066 1 0 "[ ]" 1
171 2 5 DG H2' 2 5 DG H3' 2.480 2.280 2.680 2.207 2.207 2.207 0.073 1 0 "[ ]" 1
172 2 6 DA Q2' 2 6 DA H3' 2.320 2.120 2.520 1.821 1.821 1.821 0.299 1 0 "[ ]" 1
173 2 7 DT H2' 2 7 DT H3' 2.960 2.660 3.260 2.417 2.417 2.417 0.243 1 0 "[ ]" 1
174 2 10 DG H2' 2 10 DG H3' 2.590 2.340 2.840 2.406 2.406 2.406 . 0 0 "[ ]" 1
175 1 1 DC H2'' 1 1 DC H3' 2.630 2.380 2.880 2.886 2.886 2.886 0.006 1 0 "[ ]" 1
176 1 3 DC H2'' 1 3 DC H3' 2.750 2.550 2.950 2.504 2.504 2.504 0.046 1 0 "[ ]" 1
177 1 6 DT H2'' 1 6 DT H3' 3.120 2.820 3.320 2.768 2.768 2.768 0.052 1 0 "[ ]" 1
178 1 7 DA H2'' 1 7 DA H3' 2.710 2.510 2.910 2.445 2.445 2.445 0.065 1 0 "[ ]" 1
179 1 8 DC H2'' 1 8 DC H3' 2.390 2.190 2.690 2.350 2.350 2.350 . 0 0 "[ ]" 1
180 2 2 DC H2'' 2 2 DC H3' 2.770 2.570 2.970 2.849 2.849 2.849 . 0 0 "[ ]" 1
181 2 4 DT H2'' 2 4 DT H3' 2.880 2.580 3.180 3.017 3.017 3.017 . 0 0 "[ ]" 1
182 2 5 DG H2'' 2 5 DG H3' 2.850 2.650 3.050 2.527 2.527 2.527 0.123 1 0 "[ ]" 1
183 2 7 DT H2'' 2 7 DT H3' 2.920 2.620 3.220 3.180 3.180 3.180 . 0 0 "[ ]" 1
184 2 9 DC H2'' 2 9 DC H3' 2.400 2.200 2.750 2.751 2.751 2.751 0.001 1 0 "[ ]" 1
185 2 10 DG H2'' 2 10 DG H3' 2.650 2.400 2.900 2.925 2.925 2.925 0.025 1 0 "[ ]" 1
186 1 1 DC H3' 1 1 DC H4' 2.360 2.160 2.660 2.727 2.727 2.727 0.067 1 0 "[ ]" 1
187 1 3 DC H3' 1 3 DC H4' 2.560 2.310 2.810 2.748 2.748 2.748 . 0 0 "[ ]" 1
188 1 4 DA H3' 1 4 DA H4' 2.660 2.360 2.960 2.988 2.988 2.988 0.028 1 0 "[ ]" 1
189 1 5 64T H3' 1 5 64T H4' 2.840 2.590 3.090 3.097 3.097 3.097 0.007 1 0 "[ ]" 1
190 1 7 DA H3' 1 7 DA H4' 2.490 2.290 2.690 2.764 2.764 2.764 0.074 1 0 "[ ]" 1
191 1 8 DC H3' 1 8 DC H4' 2.430 2.180 2.680 2.779 2.779 2.779 0.099 1 0 "[ ]" 1
192 1 10 DC H3' 1 10 DC H4' 2.650 2.350 2.950 2.856 2.856 2.856 . 0 0 "[ ]" 1
193 2 1 DG H3' 2 1 DG H4' 2.440 2.240 2.640 2.697 2.697 2.697 0.057 1 0 "[ ]" 1
194 2 2 DC H3' 2 2 DC H4' 2.620 2.370 2.820 2.799 2.799 2.799 . 0 0 "[ ]" 1
195 2 5 DG H3' 2 5 DG H4' 2.690 2.440 2.890 2.712 2.712 2.712 . 0 0 "[ ]" 1
196 2 7 DT H3' 2 7 DT H4' 2.260 . 2.560 2.624 2.624 2.624 0.064 1 0 "[ ]" 1
197 2 10 DG H3' 2 10 DG H4' 2.580 2.380 2.780 2.876 2.876 2.876 0.096 1 0 "[ ]" 1
198 1 1 DC H1' 1 1 DC H3' 3.420 3.120 3.920 3.752 3.752 3.752 . 0 0 "[ ]" 1
199 1 2 DG H1' 1 2 DG H3' 3.120 2.820 3.620 3.625 3.625 3.625 0.005 1 0 "[ ]" 1
200 1 3 DC H1' 1 3 DC H3' 3.410 3.110 3.910 3.927 3.927 3.927 0.017 1 0 "[ ]" 1
201 1 4 DA H1' 1 4 DA H3' 3.590 3.290 4.090 3.878 3.878 3.878 . 0 0 "[ ]" 1
202 1 5 64T H1' 1 5 64T H3' 3.740 3.440 4.240 3.820 3.820 3.820 . 0 0 "[ ]" 1
203 1 6 DT H1' 1 6 DT H3' 3.350 3.050 3.850 4.012 4.012 4.012 0.162 1 0 "[ ]" 1
204 1 7 DA H1' 1 7 DA H3' 3.640 3.340 4.140 3.878 3.878 3.878 . 0 0 "[ ]" 1
205 1 8 DC H1' 1 8 DC H3' 3.150 2.850 3.650 3.618 3.618 3.618 . 0 0 "[ ]" 1
206 1 9 DG H1' 1 9 DG H3' 3.390 3.090 3.890 3.700 3.700 3.700 . 0 0 "[ ]" 1
207 1 10 DC H1' 1 10 DC H3' 3.440 3.140 3.940 3.701 3.701 3.701 . 0 0 "[ ]" 1
208 2 1 DG H1' 2 1 DG H3' 3.190 2.890 3.690 3.670 3.670 3.670 . 0 0 "[ ]" 1
209 2 2 DC H1' 2 2 DC H3' 3.330 3.030 3.830 3.644 3.644 3.644 . 0 0 "[ ]" 1
210 2 3 DG H1' 2 3 DG H3' 3.220 2.920 3.720 3.662 3.662 3.662 . 0 0 "[ ]" 1
211 2 4 DT H1' 2 4 DT H3' 3.350 3.050 3.850 3.829 3.829 3.829 . 0 0 "[ ]" 1
212 2 5 DG H1' 2 5 DG H3' 3.060 2.760 3.560 3.576 3.576 3.576 0.016 1 0 "[ ]" 1
213 2 6 DA H1' 2 6 DA H3' 3.270 2.970 3.770 3.622 3.622 3.622 . 0 0 "[ ]" 1
214 2 7 DT H1' 2 7 DT H3' 3.410 3.110 3.910 3.619 3.619 3.619 . 0 0 "[ ]" 1
215 2 8 DG H1' 2 8 DG H3' 3.150 2.850 3.650 3.603 3.603 3.603 . 0 0 "[ ]" 1
216 2 9 DC H1' 2 9 DC H3' 3.360 3.060 3.860 3.741 3.741 3.741 . 0 0 "[ ]" 1
217 2 10 DG H1' 2 10 DG H3' 3.360 3.060 3.860 3.544 3.544 3.544 . 0 0 "[ ]" 1
218 1 1 DC H1' 1 1 DC H4' 2.620 2.320 2.920 2.762 2.762 2.762 . 0 0 "[ ]" 1
219 1 2 DG H1' 1 2 DG H4' 2.940 2.690 3.190 2.828 2.828 2.828 . 0 0 "[ ]" 1
220 1 4 DA H1' 1 4 DA H4' 3.000 2.750 3.250 2.931 2.931 2.931 . 0 0 "[ ]" 1
221 1 5 64T H1' 1 5 64T H4' 3.490 3.190 3.790 3.133 3.133 3.133 0.057 1 0 "[ ]" 1
222 1 7 DA H1' 1 7 DA H4' 3.110 2.860 3.360 3.377 3.377 3.377 0.017 1 0 "[ ]" 1
223 1 8 DC H1' 1 8 DC H4' 2.650 2.450 2.950 2.756 2.756 2.756 . 0 0 "[ ]" 1
224 1 9 DG H1' 1 9 DG H4' 2.790 2.590 3.040 2.812 2.812 2.812 . 0 0 "[ ]" 1
225 1 10 DC H1' 1 10 DC H4' 2.660 2.360 2.960 2.955 2.955 2.955 . 0 0 "[ ]" 1
226 2 1 DG H1' 2 1 DG H4' 2.920 2.620 3.220 3.254 3.254 3.254 0.034 1 0 "[ ]" 1
227 2 3 DG H1' 2 3 DG H4' 2.990 2.740 3.240 3.224 3.224 3.224 . 0 0 "[ ]" 1
228 2 5 DG H1' 2 5 DG H4' 2.820 2.570 3.070 3.068 3.068 3.068 . 0 0 "[ ]" 1
229 2 6 DA H1' 2 6 DA H4' 3.020 2.770 3.270 3.278 3.278 3.278 0.008 1 0 "[ ]" 1
230 2 7 DT H1' 2 7 DT H4' 2.760 2.560 3.060 2.549 2.549 2.549 0.011 1 0 "[ ]" 1
231 2 8 DG H1' 2 8 DG H4' 3.040 2.790 3.290 3.253 3.253 3.253 . 0 0 "[ ]" 1
232 2 10 DG H1' 2 10 DG H4' 2.780 2.480 3.080 3.002 3.002 3.002 . 0 0 "[ ]" 1
233 1 4 DA H1' 1 5 64T H3' 4.490 4.190 4.790 4.766 4.766 4.766 . 0 0 "[ ]" 1
234 1 7 DA H1' 1 8 DC H3' 4.480 4.180 4.780 4.794 4.794 4.794 0.014 1 0 "[ ]" 1
235 1 1 DC H2' 1 1 DC H2'' 1.760 . 1.860 1.685 1.685 1.685 . 0 0 "[ ]" 1
236 1 2 DG H2' 1 2 DG H2'' 1.760 . 1.860 1.805 1.805 1.805 . 0 0 "[ ]" 1
237 1 3 DC H2' 1 3 DC H2'' 1.760 . 1.860 1.666 1.666 1.666 . 0 0 "[ ]" 1
238 1 4 DA H2' 1 4 DA H2'' 1.760 . 1.860 1.811 1.811 1.811 . 0 0 "[ ]" 1
239 1 6 DT H2' 1 6 DT H2'' 1.760 . 1.860 1.540 1.540 1.540 0.120 1 0 "[ ]" 1
240 1 7 DA H2' 1 7 DA H2'' 1.760 . 1.860 1.589 1.589 1.589 0.071 1 0 "[ ]" 1
241 1 8 DC H2' 1 8 DC H2'' 1.760 . 1.860 1.627 1.627 1.627 0.033 1 0 "[ ]" 1
242 1 9 DG H2' 1 9 DG H2'' 1.760 . 1.860 1.696 1.696 1.696 . 0 0 "[ ]" 1
243 1 10 DC H2' 1 10 DC H2'' 1.760 . 1.860 1.657 1.657 1.657 0.003 1 0 "[ ]" 1
244 2 1 DG H2' 2 1 DG H2'' 1.760 . 1.860 1.697 1.697 1.697 . 0 0 "[ ]" 1
245 2 2 DC H2' 2 2 DC H2'' 1.760 . 1.860 1.676 1.676 1.676 . 0 0 "[ ]" 1
246 2 3 DG H2' 2 3 DG H2'' 1.760 . 1.860 1.800 1.800 1.800 . 0 0 "[ ]" 1
247 2 4 DT H2' 2 4 DT H2'' 1.760 . 1.860 1.503 1.503 1.503 0.157 1 0 "[ ]" 1
248 2 5 DG H2' 2 5 DG H2'' 1.760 . 1.860 1.601 1.601 1.601 0.059 1 0 "[ ]" 1
249 2 6 DA H2' 2 6 DA H2'' 1.760 . 1.860 1.612 1.612 1.612 0.048 1 0 "[ ]" 1
250 2 7 DT H2' 2 7 DT H2'' 1.760 . 1.860 1.525 1.525 1.525 0.135 1 0 "[ ]" 1
251 2 8 DG H2' 2 8 DG H2'' 1.760 . 1.860 1.701 1.701 1.701 . 0 0 "[ ]" 1
252 2 9 DC H2' 2 9 DC H2'' 1.760 . 1.860 1.657 1.657 1.657 0.003 1 0 "[ ]" 1
253 2 10 DG H2' 2 10 DG H2'' 1.760 . 1.860 1.789 1.789 1.789 . 0 0 "[ ]" 1
254 1 1 DC H5 1 1 DC H6 2.460 2.360 2.560 2.431 2.431 2.431 . 0 0 "[ ]" 1
255 1 3 DC H5 1 3 DC H6 2.460 2.360 2.560 2.324 2.324 2.324 0.036 1 0 "[ ]" 1
256 1 8 DC H5 1 8 DC H6 2.460 2.360 2.560 2.331 2.331 2.331 0.029 1 0 "[ ]" 1
257 1 10 DC H5 1 10 DC H6 2.460 2.360 2.560 2.571 2.571 2.571 0.011 1 0 "[ ]" 1
258 1 1 DC H2' 1 1 DC H5 3.540 3.240 3.840 3.919 3.919 3.919 0.079 1 0 "[ ]" 1
259 1 3 DC H2' 1 3 DC H5 3.700 3.400 4.000 4.065 4.065 4.065 0.065 1 0 "[ ]" 1
260 1 3 DC H2'' 1 3 DC H5 4.940 4.540 5.340 5.403 5.403 5.403 0.063 1 0 "[ ]" 1
261 1 8 DC H2' 1 8 DC H5 3.650 3.350 3.950 4.080 4.080 4.080 0.130 1 0 "[ ]" 1
262 1 8 DC H2'' 1 8 DC H5 4.670 4.270 5.170 5.240 5.240 5.240 0.070 1 0 "[ ]" 1
263 2 2 DC H2' 2 2 DC H5 3.530 3.230 3.830 3.858 3.858 3.858 0.028 1 0 "[ ]" 1
264 2 2 DC H2'' 2 2 DC H5 4.450 3.950 4.750 4.896 4.896 4.896 0.146 1 0 "[ ]" 1
265 2 9 DC H2' 2 9 DC H5 3.340 3.040 3.640 3.787 3.787 3.787 0.147 1 0 "[ ]" 1
266 1 2 DG H8 1 3 DC H5 3.430 3.130 3.730 3.427 3.427 3.427 . 0 0 "[ ]" 1
267 1 7 DA H8 1 8 DC H5 3.340 3.040 3.640 3.604 3.604 3.604 . 0 0 "[ ]" 1
268 1 9 DG H8 1 10 DC H5 3.880 3.580 4.180 3.613 3.613 3.613 . 0 0 "[ ]" 1
269 2 1 DG H8 2 2 DC H5 3.560 3.260 3.860 3.559 3.559 3.559 . 0 0 "[ ]" 1
270 2 8 DG H8 2 9 DC H5 3.440 3.140 3.740 3.237 3.237 3.237 . 0 0 "[ ]" 1
271 1 2 DG H1' 1 3 DC H5 3.300 3.000 3.650 3.606 3.606 3.606 . 0 0 "[ ]" 1
272 2 1 DG H1' 2 2 DC H5 3.380 3.080 3.680 3.728 3.728 3.728 0.048 1 0 "[ ]" 1
273 2 8 DG H1' 2 9 DC H5 3.210 2.910 3.610 3.667 3.667 3.667 0.057 1 0 "[ ]" 1
274 1 7 DA H2' 1 8 DC H5 3.320 3.020 3.620 3.027 3.027 3.027 . 0 0 "[ ]" 1
275 1 7 DA H2'' 1 8 DC H5 3.450 3.150 3.850 3.576 3.576 3.576 . 0 0 "[ ]" 1
276 2 1 DG H2' 2 2 DC H5 3.150 2.850 3.450 2.963 2.963 2.963 . 0 0 "[ ]" 1
277 2 1 DG H2'' 2 2 DC H5 3.450 3.100 3.850 3.222 3.222 3.222 . 0 0 "[ ]" 1
278 2 3 DG H8 2 4 DT M7 2.880 2.680 3.480 2.451 2.451 2.451 0.229 1 0 "[ ]" 1
279 2 6 DA H8 2 7 DT M7 2.950 2.650 3.550 2.674 2.674 2.674 . 0 0 "[ ]" 1
280 2 7 DT H1' 2 7 DT M7 5.580 5.080 6.080 4.472 4.472 4.472 0.608 1 1 [+] 1
281 1 6 DT H2' 1 6 DT M7 3.280 2.780 3.980 2.994 2.994 2.994 . 0 0 "[ ]" 1
282 1 6 DT H2'' 1 6 DT M7 3.990 3.490 4.690 3.825 3.825 3.825 . 0 0 "[ ]" 1
283 2 4 DT H2'' 2 4 DT M7 3.480 2.980 4.180 3.530 3.530 3.530 . 0 0 "[ ]" 1
284 2 7 DT H2' 2 7 DT M7 3.280 2.780 3.980 2.655 2.655 2.655 0.125 1 0 "[ ]" 1
285 2 7 DT H2'' 2 7 DT M7 3.520 3.020 4.220 3.518 3.518 3.518 . 0 0 "[ ]" 1
286 1 6 DT H3' 1 6 DT M7 4.960 4.460 5.460 4.480 4.480 4.480 . 0 0 "[ ]" 1
287 2 4 DT H3' 2 4 DT M7 4.450 3.950 4.950 4.040 4.040 4.040 . 0 0 "[ ]" 1
288 2 7 DT H3' 2 7 DT M7 4.570 4.070 5.070 4.239 4.239 4.239 . 0 0 "[ ]" 1
289 2 3 DG Q2' 2 4 DT M7 3.340 2.840 3.420 1.863 1.863 1.863 0.977 1 1 [+] 1
290 2 6 DA Q2' 2 7 DT M7 3.450 2.950 3.580 1.893 1.893 1.893 1.057 1 1 [+] 1
291 2 3 DG H3' 2 4 DT M7 3.740 3.240 4.240 3.551 3.551 3.551 . 0 0 "[ ]" 1
292 2 6 DA H3' 2 7 DT M7 3.810 3.310 4.310 3.643 3.643 3.643 . 0 0 "[ ]" 1
293 1 4 DA H1' 1 4 DA H2 4.340 4.040 4.640 4.587 4.587 4.587 . 0 0 "[ ]" 1
294 1 7 DA H1' 1 7 DA H2 4.350 4.050 4.650 4.681 4.681 4.681 0.031 1 0 "[ ]" 1
295 2 6 DA H1' 2 6 DA H2 4.860 4.460 5.160 4.999 4.999 4.999 . 0 0 "[ ]" 1
296 1 7 DA H2 2 4 DT H1' 4.270 3.970 4.570 4.667 4.667 4.667 0.097 1 0 "[ ]" 1
297 1 5 64T H1' 2 6 DA H2 4.300 4.000 4.600 4.216 4.216 4.216 . 0 0 "[ ]" 1
298 1 4 DA H2 1 5 64T H1' 3.750 3.450 4.050 4.105 4.105 4.105 0.055 1 0 "[ ]" 1
299 1 7 DA H2 1 8 DC H1' 3.670 3.370 3.970 4.060 4.060 4.060 0.090 1 0 "[ ]" 1
300 1 4 DA H2 2 6 DA H2 4.340 3.940 4.740 4.252 4.252 4.252 . 0 0 "[ ]" 1
301 1 2 DG H1 2 8 DG H1 2.950 2.650 3.250 3.316 3.316 3.316 0.066 1 0 "[ ]" 1
302 2 7 DT H3 2 8 DG H1 3.190 2.890 3.490 3.522 3.522 3.522 0.032 1 0 "[ ]" 1
303 2 3 DG H1 2 4 DT H3 2.920 2.620 3.220 3.236 3.236 3.236 0.016 1 0 "[ ]" 1
304 1 9 DG H1 2 3 DG H1 2.810 2.610 3.110 3.234 3.234 3.234 0.124 1 0 "[ ]" 1
305 1 4 DA H2 2 7 DT H3 2.790 2.590 3.290 2.826 2.826 2.826 . 0 0 "[ ]" 1
306 1 7 DA H2 2 4 DT H3 2.510 2.310 3.010 2.717 2.717 2.717 . 0 0 "[ ]" 1
307 1 4 DA H2 2 8 DG H1 3.550 3.250 4.050 3.390 3.390 3.390 . 0 0 "[ ]" 1
308 1 7 DA H2 2 3 DG H1 3.320 3.020 3.820 3.865 3.865 3.865 0.045 1 0 "[ ]" 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 66
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 0.230
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 0.009 0.009 1 0 "[ ]"
1 2 DG 0.007 0.007 1 0 "[ ]"
1 3 DC 0.026 0.026 1 0 "[ ]"
1 4 DA 0.010 0.010 1 0 "[ ]"
1 5 64T 0.039 0.039 1 0 "[ ]"
1 7 DA 0.124 0.051 1 0 "[ ]"
1 8 DC 0.000 0.000 . 0 "[ ]"
1 9 DG 0.002 0.002 1 0 "[ ]"
1 10 DC 0.013 0.013 1 0 "[ ]"
2 1 DG 0.013 0.013 1 0 "[ ]"
2 2 DC 0.002 0.002 1 0 "[ ]"
2 3 DG 0.000 0.000 . 0 "[ ]"
2 4 DT 0.124 0.051 1 0 "[ ]"
2 6 DA 0.039 0.039 1 0 "[ ]"
2 7 DT 0.010 0.010 1 0 "[ ]"
2 8 DG 0.026 0.026 1 0 "[ ]"
2 9 DC 0.007 0.007 1 0 "[ ]"
2 10 DG 0.009 0.009 1 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 DC N3 2 10 DG N1 3.000 2.700 3.300 2.868 2.868 2.868 . 0 0 "[ ]" 2
2 1 1 DC N4 2 10 DG O6 2.800 2.500 3.100 2.806 2.806 2.806 . 0 0 "[ ]" 2
3 1 1 DC O2 2 10 DG N2 3.000 2.700 3.300 2.854 2.854 2.854 . 0 0 "[ ]" 2
4 1 1 DC N3 2 10 DG H1 2.000 . 2.200 1.876 1.876 1.876 . 0 0 "[ ]" 2
5 1 1 DC O2 2 10 DG N1 3.600 3.300 3.900 3.565 3.565 3.565 . 0 0 "[ ]" 2
6 1 1 DC N3 2 10 DG O6 3.700 3.400 4.000 3.428 3.428 3.428 . 0 0 "[ ]" 2
7 1 1 DC N3 2 10 DG N2 4.000 3.700 4.300 3.691 3.691 3.691 0.009 1 0 "[ ]" 2
8 1 1 DC N4 2 10 DG N1 3.800 3.500 4.100 3.828 3.828 3.828 . 0 0 "[ ]" 2
9 1 2 DG N1 2 9 DC N3 3.000 2.700 3.300 2.965 2.965 2.965 . 0 0 "[ ]" 2
10 1 2 DG O6 2 9 DC N4 2.800 2.500 3.100 2.967 2.967 2.967 . 0 0 "[ ]" 2
11 1 2 DG N2 2 9 DC O2 3.000 2.700 3.300 2.809 2.809 2.809 . 0 0 "[ ]" 2
12 1 2 DG H1 2 9 DC N3 2.000 . 2.200 1.972 1.972 1.972 . 0 0 "[ ]" 2
13 1 2 DG N1 2 9 DC O2 3.600 3.300 3.900 3.376 3.376 3.376 . 0 0 "[ ]" 2
14 1 2 DG O6 2 9 DC N3 3.700 3.400 4.000 3.393 3.393 3.393 0.007 1 0 "[ ]" 2
15 1 2 DG N2 2 9 DC N3 4.000 3.700 4.300 3.958 3.958 3.958 . 0 0 "[ ]" 2
16 1 2 DG N1 2 9 DC N4 3.800 3.500 4.100 4.094 4.094 4.094 . 0 0 "[ ]" 2
17 1 3 DC N3 2 8 DG N1 3.000 2.700 3.300 2.915 2.915 2.915 . 0 0 "[ ]" 2
18 1 3 DC N4 2 8 DG O6 2.800 2.500 3.100 2.841 2.841 2.841 . 0 0 "[ ]" 2
19 1 3 DC O2 2 8 DG N2 3.000 2.700 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 2
20 1 3 DC N3 2 8 DG H1 2.000 . 2.200 1.903 1.903 1.903 . 0 0 "[ ]" 2
21 1 3 DC O2 2 8 DG N1 3.600 3.300 3.900 3.673 3.673 3.673 . 0 0 "[ ]" 2
22 1 3 DC N3 2 8 DG O6 3.700 3.400 4.000 3.619 3.619 3.619 . 0 0 "[ ]" 2
23 1 3 DC N3 2 8 DG N2 4.000 3.700 4.300 3.674 3.674 3.674 0.026 1 0 "[ ]" 2
24 1 3 DC N4 2 8 DG N1 3.800 3.500 4.100 3.768 3.768 3.768 . 0 0 "[ ]" 2
25 1 4 DA N1 2 7 DT N3 3.000 2.700 3.300 2.776 2.776 2.776 . 0 0 "[ ]" 2
26 1 4 DA N6 2 7 DT O4 2.800 2.500 3.100 3.094 3.094 3.094 . 0 0 "[ ]" 2
27 1 4 DA N1 2 7 DT H3 2.000 . 2.300 1.760 1.760 1.760 . 0 0 "[ ]" 2
28 1 4 DA N6 2 7 DT N3 3.800 3.500 4.100 3.676 3.676 3.676 . 0 0 "[ ]" 2
29 1 4 DA N1 2 7 DT O4 3.700 3.400 4.000 3.811 3.811 3.811 . 0 0 "[ ]" 2
30 1 4 DA N1 2 7 DT O2 3.800 3.400 4.200 3.390 3.390 3.390 0.010 1 0 "[ ]" 2
31 1 5 64T N3 2 6 DA N1 3.000 2.600 3.400 2.804 2.804 2.804 . 0 0 "[ ]" 2
32 1 5 64T O4 2 6 DA N6 2.800 2.400 3.200 3.005 3.005 3.005 . 0 0 "[ ]" 2
33 1 5 64T H3 2 6 DA N1 2.000 . 2.400 1.856 1.856 1.856 . 0 0 "[ ]" 2
34 1 5 64T N3 2 6 DA N6 3.800 3.400 4.200 3.689 3.689 3.689 . 0 0 "[ ]" 2
35 1 5 64T O4 2 6 DA N1 3.700 3.300 4.100 3.650 3.650 3.650 . 0 0 "[ ]" 2
36 1 5 64T O2 2 6 DA N1 3.800 3.400 4.200 3.361 3.361 3.361 0.039 1 0 "[ ]" 2
37 1 7 DA N1 2 4 DT N3 3.000 2.700 3.300 2.734 2.734 2.734 . 0 0 "[ ]" 2
38 1 7 DA N6 2 4 DT O4 2.800 2.500 3.100 3.145 3.145 3.145 0.045 1 0 "[ ]" 2
39 1 7 DA N1 2 4 DT H3 2.000 . 2.300 1.722 1.722 1.722 0.028 1 0 "[ ]" 2
40 1 7 DA N6 2 4 DT N3 3.800 3.500 4.100 3.736 3.736 3.736 . 0 0 "[ ]" 2
41 1 7 DA N1 2 4 DT O4 3.700 3.400 4.000 3.732 3.732 3.732 . 0 0 "[ ]" 2
42 1 7 DA N1 2 4 DT O2 3.800 3.400 4.200 3.349 3.349 3.349 0.051 1 0 "[ ]" 2
43 1 8 DC N3 2 3 DG N1 3.000 2.700 3.300 2.934 2.934 2.934 . 0 0 "[ ]" 2
44 1 8 DC N4 2 3 DG O6 2.800 2.500 3.100 2.967 2.967 2.967 . 0 0 "[ ]" 2
45 1 8 DC O2 2 3 DG N2 3.000 2.700 3.300 2.790 2.790 2.790 . 0 0 "[ ]" 2
46 1 8 DC N3 2 3 DG H1 2.000 . 2.200 1.935 1.935 1.935 . 0 0 "[ ]" 2
47 1 8 DC O2 2 3 DG N1 3.600 3.300 3.900 3.536 3.536 3.536 . 0 0 "[ ]" 2
48 1 8 DC N3 2 3 DG O6 3.700 3.400 4.000 3.524 3.524 3.524 . 0 0 "[ ]" 2
49 1 8 DC N3 2 3 DG N2 4.000 3.700 4.300 3.769 3.769 3.769 . 0 0 "[ ]" 2
50 1 8 DC N4 2 3 DG N1 3.800 3.500 4.100 3.959 3.959 3.959 . 0 0 "[ ]" 2
51 1 9 DG N1 2 2 DC N3 3.000 2.700 3.300 2.851 2.851 2.851 . 0 0 "[ ]" 2
52 1 9 DG O6 2 2 DC N4 2.800 2.500 3.100 2.833 2.833 2.833 . 0 0 "[ ]" 2
53 1 9 DG N2 2 2 DC O2 3.000 2.700 3.300 2.762 2.762 2.762 . 0 0 "[ ]" 2
54 1 9 DG H1 2 2 DC N3 2.000 . 2.200 1.862 1.862 1.862 . 0 0 "[ ]" 2
55 1 9 DG N1 2 2 DC O2 3.600 3.300 3.900 3.516 3.516 3.516 . 0 0 "[ ]" 2
56 1 9 DG O6 2 2 DC N3 3.700 3.400 4.000 3.441 3.441 3.441 . 0 0 "[ ]" 2
57 1 9 DG N2 2 2 DC N3 4.000 3.700 4.300 3.698 3.698 3.698 0.002 1 0 "[ ]" 2
58 1 9 DG N1 2 2 DC N4 3.800 3.500 4.100 3.858 3.858 3.858 . 0 0 "[ ]" 2
59 1 10 DC N3 2 1 DG N1 3.000 2.700 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 2
60 1 10 DC N4 2 1 DG O6 2.800 2.500 3.100 2.785 2.785 2.785 . 0 0 "[ ]" 2
61 1 10 DC O2 2 1 DG N2 3.000 2.700 3.300 2.998 2.998 2.998 . 0 0 "[ ]" 2
62 1 10 DC N3 2 1 DG H1 2.000 . 2.200 1.940 1.940 1.940 . 0 0 "[ ]" 2
63 1 10 DC O2 2 1 DG N1 3.600 3.300 3.900 3.759 3.759 3.759 . 0 0 "[ ]" 2
64 1 10 DC N3 2 1 DG O6 3.700 3.400 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 2
65 1 10 DC N3 2 1 DG N2 4.000 3.700 4.300 3.687 3.687 3.687 0.013 1 0 "[ ]" 2
66 1 10 DC N4 2 1 DG N1 3.800 3.500 4.100 3.748 3.748 3.748 . 0 0 "[ ]" 2
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