NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
427030 |
2hgh   |
7194 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hgh
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 432
_Distance_constraint_stats_list.Viol_count 1318
_Distance_constraint_stats_list.Viol_total 1212.191
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0460
_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 G 0.003 0.003 7 0 "[ . 1 . 2]"
1 2 G 0.200 0.015 7 0 "[ . 1 . 2]"
1 3 G 0.336 0.026 8 0 "[ . 1 . 2]"
1 4 C 1.449 0.123 18 0 "[ . 1 . 2]"
1 5 C 4.389 0.133 6 0 "[ . 1 . 2]"
1 6 A 8.721 0.133 6 0 "[ . 1 . 2]"
1 7 U 3.297 0.115 1 0 "[ . 1 . 2]"
1 8 A 3.269 0.082 11 0 "[ . 1 . 2]"
1 9 C 2.356 0.082 11 0 "[ . 1 . 2]"
1 10 C 1.745 0.116 11 0 "[ . 1 . 2]"
1 11 U 0.001 0.001 19 0 "[ . 1 . 2]"
1 12 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 U 0.070 0.037 13 0 "[ . 1 . 2]"
1 14 U 0.031 0.017 17 0 "[ . 1 . 2]"
1 15 G 0.143 0.037 13 0 "[ . 1 . 2]"
1 16 G 7.364 0.187 10 0 "[ . 1 . 2]"
1 17 G 8.052 0.187 10 0 "[ . 1 . 2]"
1 18 C 5.452 0.179 16 0 "[ . 1 . 2]"
1 19 C 5.783 0.115 1 0 "[ . 1 . 2]"
1 20 U 2.077 0.064 19 0 "[ . 1 . 2]"
1 21 G 1.223 0.067 15 0 "[ . 1 . 2]"
1 22 G 2.370 0.072 20 0 "[ . 1 . 2]"
1 23 U 3.089 0.113 2 0 "[ . 1 . 2]"
1 24 U 6.451 0.113 2 0 "[ . 1 . 2]"
1 25 A 6.413 0.127 20 0 "[ . 1 . 2]"
1 26 G 5.778 0.144 11 0 "[ . 1 . 2]"
1 27 U 3.584 0.125 6 0 "[ . 1 . 2]"
1 28 A 3.300 0.112 14 0 "[ . 1 . 2]"
1 29 C 2.067 0.112 14 0 "[ . 1 . 2]"
1 30 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 G 1.706 0.123 20 0 "[ . 1 . 2]"
1 41 G 3.173 0.123 20 0 "[ . 1 . 2]"
1 42 A 4.846 0.144 11 0 "[ . 1 . 2]"
1 43 A 3.898 0.094 6 0 "[ . 1 . 2]"
1 44 U 0.012 0.005 1 0 "[ . 1 . 2]"
1 45 A 2.797 0.074 18 0 "[ . 1 . 2]"
1 46 C 2.123 0.074 18 0 "[ . 1 . 2]"
1 47 C 1.146 0.057 12 0 "[ . 1 . 2]"
1 48 A 1.026 0.060 18 0 "[ . 1 . 2]"
1 49 G 0.086 0.024 18 0 "[ . 1 . 2]"
1 50 G 2.432 0.090 3 0 "[ . 1 . 2]"
1 51 U 5.190 0.174 6 0 "[ . 1 . 2]"
1 52 G 0.081 0.021 12 0 "[ . 1 . 2]"
1 53 C 0.678 0.046 12 0 "[ . 1 . 2]"
1 54 C 1.588 0.046 12 0 "[ . 1 . 2]"
1 55 C 0.852 0.046 12 0 "[ . 1 . 2]"
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 G H3' 1 1 G H8 . . 3.300 2.975 2.902 3.069 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1' 1 2 G H8 . . 5.000 4.661 4.633 4.690 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H2' 1 2 G H8 . . 2.700 2.211 2.150 2.261 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H2' 1 2 G H5' . . 3.300 2.925 2.860 2.980 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H3' 1 2 G H8 . . 3.300 3.140 3.059 3.268 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H8 1 2 G H8 . . 5.000 4.926 4.890 5.003 0.003 7 0 "[ . 1 . 2]" 1
7 1 1 G H1 1 2 G H1 . . 5.000 4.229 4.116 4.316 . 0 0 "[ . 1 . 2]" 1
8 1 2 G H3' 1 2 G H8 . . 3.300 2.921 2.872 2.952 . 0 0 "[ . 1 . 2]" 1
9 1 2 G H1' 1 3 G H8 . . 5.000 4.772 4.644 4.837 . 0 0 "[ . 1 . 2]" 1
10 1 2 G H2' 1 3 G H8 . . 2.700 2.322 2.162 2.400 . 0 0 "[ . 1 . 2]" 1
11 1 2 G H2' 1 3 G H5' . . 3.300 2.933 2.873 2.983 . 0 0 "[ . 1 . 2]" 1
12 1 2 G H3' 1 3 G H8 . . 3.300 3.214 3.079 3.303 0.003 18 0 "[ . 1 . 2]" 1
13 1 2 G H8 1 3 G H8 . . 5.000 4.830 4.715 4.883 . 0 0 "[ . 1 . 2]" 1
14 1 2 G H1 1 3 G H1 . . 5.000 4.062 4.024 4.118 . 0 0 "[ . 1 . 2]" 1
15 1 2 G H1 1 55 C H5 . . 4.500 4.510 4.500 4.515 0.015 7 0 "[ . 1 . 2]" 1
16 1 3 G H3' 1 3 G H8 . . 3.300 3.004 2.895 3.187 . 0 0 "[ . 1 . 2]" 1
17 1 3 G H1' 1 4 C H6 . . 5.000 4.820 4.630 4.914 . 0 0 "[ . 1 . 2]" 1
18 1 3 G H2' 1 4 C H5 . . 5.000 3.960 3.739 4.224 . 0 0 "[ . 1 . 2]" 1
19 1 3 G H2' 1 4 C H6 . . 2.700 2.273 2.131 2.419 . 0 0 "[ . 1 . 2]" 1
20 1 3 G H2' 1 4 C H5' . . 3.300 2.967 2.838 3.097 . 0 0 "[ . 1 . 2]" 1
21 1 3 G H3' 1 4 C H5 . . 5.000 3.814 3.629 4.047 . 0 0 "[ . 1 . 2]" 1
22 1 3 G H3' 1 4 C H6 . . 3.300 3.181 3.123 3.266 . 0 0 "[ . 1 . 2]" 1
23 1 3 G H8 1 4 C H5 . . 5.000 3.927 3.695 4.175 . 0 0 "[ . 1 . 2]" 1
24 1 3 G H8 1 4 C H6 . . 5.000 4.714 4.587 4.847 . 0 0 "[ . 1 . 2]" 1
25 1 3 G H1 1 52 G H1 . . 5.000 3.669 3.576 3.812 . 0 0 "[ . 1 . 2]" 1
26 1 3 G H1 1 54 C H5 . . 4.500 4.517 4.504 4.526 0.026 8 0 "[ . 1 . 2]" 1
27 1 4 C H3' 1 4 C H6 . . 3.300 2.692 2.627 2.782 . 0 0 "[ . 1 . 2]" 1
28 1 4 C H2' 1 5 C H1' . . 6.000 5.209 5.124 5.299 . 0 0 "[ . 1 . 2]" 1
29 1 4 C H2' 1 5 C H5 . . 5.000 4.902 4.626 5.008 0.008 6 0 "[ . 1 . 2]" 1
30 1 4 C H2' 1 5 C H6 . . 5.000 3.709 3.468 3.852 . 0 0 "[ . 1 . 2]" 1
31 1 4 C H3' 1 5 C H1' . . 6.000 5.623 5.535 5.750 . 0 0 "[ . 1 . 2]" 1
32 1 4 C H3' 1 5 C H5 . . 3.300 3.053 2.766 3.239 . 0 0 "[ . 1 . 2]" 1
33 1 4 C H3' 1 5 C H6 . . 3.300 2.510 2.331 2.647 . 0 0 "[ . 1 . 2]" 1
34 1 4 C H5 1 8 A H2 . . 6.000 5.960 5.705 6.025 0.025 7 0 "[ . 1 . 2]" 1
35 1 4 C H5 1 5 C H5 . . 3.300 3.365 3.319 3.423 0.123 18 0 "[ . 1 . 2]" 1
36 1 4 C H5 1 5 C H6 . . 6.000 4.491 4.383 4.620 . 0 0 "[ . 1 . 2]" 1
37 1 4 C H6 1 5 C H5 . . 3.300 2.895 2.697 3.017 . 0 0 "[ . 1 . 2]" 1
38 1 4 C H6 1 5 C H6 . . 6.000 3.924 3.728 4.047 . 0 0 "[ . 1 . 2]" 1
39 1 5 C H1' 1 6 A H4' . . 5.000 5.108 5.083 5.133 0.133 6 0 "[ . 1 . 2]" 1
40 1 5 C H1' 1 6 A H5' . . 5.000 2.998 2.958 3.052 . 0 0 "[ . 1 . 2]" 1
41 1 5 C H1' 1 6 A H8 . . 5.000 5.045 5.002 5.096 0.096 16 0 "[ . 1 . 2]" 1
42 1 5 C H1' 1 8 A H2 . . 5.000 4.090 3.995 4.139 . 0 0 "[ . 1 . 2]" 1
43 1 6 A H4' 1 6 A H8 . . 5.000 4.186 4.100 4.265 . 0 0 "[ . 1 . 2]" 1
44 1 6 A H5' 1 6 A H8 . . 5.000 3.259 3.197 3.372 . 0 0 "[ . 1 . 2]" 1
45 1 6 A H1' 1 8 A HO2' . . 2.700 2.741 2.736 2.746 0.046 16 0 "[ . 1 . 2]" 1
46 1 6 A H1' 1 8 A H2 . . 6.000 6.054 6.026 6.081 0.081 7 0 "[ . 1 . 2]" 1
47 1 6 A H1' 1 8 A H8 . . 6.000 4.686 4.532 4.797 . 0 0 "[ . 1 . 2]" 1
48 1 6 A H1' 1 9 C H5 . . 5.000 5.013 4.981 5.043 0.043 16 0 "[ . 1 . 2]" 1
49 1 6 A H1' 1 9 C H6 . . 6.000 4.180 4.099 4.211 . 0 0 "[ . 1 . 2]" 1
50 1 6 A H4' 1 8 A H2 . . 6.000 5.267 5.129 5.381 . 0 0 "[ . 1 . 2]" 1
51 1 6 A H4' 1 8 A H8 . . 3.300 3.281 3.229 3.328 0.028 12 0 "[ . 1 . 2]" 1
52 1 6 A H8 1 8 A H2 . . 6.000 5.976 5.924 6.016 0.016 18 0 "[ . 1 . 2]" 1
53 1 6 A H2 1 9 C H1' . . 5.000 3.946 3.804 4.097 . 0 0 "[ . 1 . 2]" 1
54 1 6 A H2 1 10 C H1' . . 6.000 6.081 6.057 6.116 0.116 11 0 "[ . 1 . 2]" 1
55 1 6 A H2 1 16 G H1 . . 5.000 3.521 3.308 3.743 . 0 0 "[ . 1 . 2]" 1
56 1 6 A H2 1 17 G H1' . . 3.300 3.179 3.032 3.320 0.020 12 0 "[ . 1 . 2]" 1
57 1 6 A H2 1 17 G H1 . . 5.000 5.031 5.007 5.055 0.055 18 0 "[ . 1 . 2]" 1
58 1 6 A H2 1 18 C H1' . . 5.000 4.096 3.872 4.276 . 0 0 "[ . 1 . 2]" 1
59 1 6 A H2 1 17 G H2' . . 6.000 3.561 3.489 3.611 . 0 0 "[ . 1 . 2]" 1
60 1 6 A H2 1 18 C H6 . . 5.000 5.053 5.018 5.079 0.079 1 0 "[ . 1 . 2]" 1
61 1 7 U H1' 1 19 C H1' . . 5.000 5.074 5.040 5.115 0.115 1 0 "[ . 1 . 2]" 1
62 1 7 U H5 1 19 C H1' . . 3.300 3.391 3.367 3.413 0.113 20 0 "[ . 1 . 2]" 1
63 1 7 U H6 1 19 C H1' . . 3.300 2.652 2.442 2.914 . 0 0 "[ . 1 . 2]" 1
64 1 8 A H1' 1 9 C H6 . . 6.000 5.035 4.933 5.120 . 0 0 "[ . 1 . 2]" 1
65 1 8 A H8 1 9 C H5 . . 6.000 6.057 6.041 6.082 0.082 11 0 "[ . 1 . 2]" 1
66 1 8 A H2 1 52 G H1 . . 6.000 5.558 5.331 5.730 . 0 0 "[ . 1 . 2]" 1
67 1 9 C H3' 1 9 C H6 . . 3.300 3.067 2.966 3.150 . 0 0 "[ . 1 . 2]" 1
68 1 9 C H1' 1 10 C H6 . . 5.000 4.751 4.703 4.809 . 0 0 "[ . 1 . 2]" 1
69 1 9 C H2' 1 10 C H5 . . 5.000 3.884 3.785 3.991 . 0 0 "[ . 1 . 2]" 1
70 1 9 C H2' 1 10 C H6 . . 2.700 2.180 2.137 2.244 . 0 0 "[ . 1 . 2]" 1
71 1 9 C H2' 1 10 C H5' . . 3.300 2.830 2.737 2.890 . 0 0 "[ . 1 . 2]" 1
72 1 9 C H3' 1 10 C H5 . . 5.000 3.378 3.208 3.465 . 0 0 "[ . 1 . 2]" 1
73 1 9 C H3' 1 10 C H6 . . 3.300 2.908 2.824 3.005 . 0 0 "[ . 1 . 2]" 1
74 1 9 C H5 1 10 C H5 . . 5.000 4.224 4.024 4.328 . 0 0 "[ . 1 . 2]" 1
75 1 9 C H6 1 10 C H5 . . 5.000 4.369 4.140 4.452 . 0 0 "[ . 1 . 2]" 1
76 1 9 C H6 1 10 C H6 . . 5.000 4.996 4.919 5.017 0.017 6 0 "[ . 1 . 2]" 1
77 1 9 C H5 1 16 G H1 . . 5.000 5.038 5.014 5.058 0.058 14 0 "[ . 1 . 2]" 1
78 1 9 C H5 1 17 G H1 . . 5.000 4.970 4.890 5.026 0.026 14 0 "[ . 1 . 2]" 1
79 1 10 C H3' 1 10 C H6 . . 3.300 2.869 2.820 2.977 . 0 0 "[ . 1 . 2]" 1
80 1 10 C H1' 1 16 G H1 . . 5.000 4.659 4.420 4.814 . 0 0 "[ . 1 . 2]" 1
81 1 10 C H1' 1 16 G H21 . . 5.000 3.095 2.889 3.245 . 0 0 "[ . 1 . 2]" 1
82 1 10 C H1' 1 16 G H22 . . 3.300 2.695 2.422 2.876 . 0 0 "[ . 1 . 2]" 1
83 1 10 C H2' 1 11 U H6 . . 5.000 2.898 2.761 3.176 . 0 0 "[ . 1 . 2]" 1
84 1 10 C H2' 1 11 U H5' . . 3.300 3.214 3.059 3.301 0.001 19 0 "[ . 1 . 2]" 1
85 1 10 C H3' 1 11 U H6 . . 5.000 2.915 2.545 3.051 . 0 0 "[ . 1 . 2]" 1
86 1 10 C H5 1 16 G H1 . . 5.000 4.931 4.761 5.003 0.003 8 0 "[ . 1 . 2]" 1
87 1 11 U H3' 1 11 U H6 . . 3.300 2.550 2.476 2.580 . 0 0 "[ . 1 . 2]" 1
88 1 11 U H2' 1 12 C H6 . . 5.000 3.502 2.928 3.914 . 0 0 "[ . 1 . 2]" 1
89 1 11 U H2' 1 12 C H5' . . 5.000 3.595 3.352 3.688 . 0 0 "[ . 1 . 2]" 1
90 1 11 U H3' 1 12 C H6 . . 5.000 4.015 3.274 4.455 . 0 0 "[ . 1 . 2]" 1
91 1 12 C H3' 1 12 C H6 . . 5.000 4.572 4.524 4.687 . 0 0 "[ . 1 . 2]" 1
92 1 12 C H1' 1 13 U H5 . . 3.300 2.305 2.156 2.384 . 0 0 "[ . 1 . 2]" 1
93 1 12 C H1' 1 13 U H6 . . 5.000 2.924 2.735 3.309 . 0 0 "[ . 1 . 2]" 1
94 1 13 U H3' 1 13 U H6 . . 5.000 4.523 4.347 4.599 . 0 0 "[ . 1 . 2]" 1
95 1 13 U H1' 1 14 U H1' . . 5.000 3.371 3.136 4.094 . 0 0 "[ . 1 . 2]" 1
96 1 13 U H1' 1 15 G H8 . . 5.000 3.725 3.039 4.099 . 0 0 "[ . 1 . 2]" 1
97 1 13 U H1' 1 15 G H1' . . 5.000 4.332 3.776 5.037 0.037 13 0 "[ . 1 . 2]" 1
98 1 14 U H3' 1 14 U H6 . . 5.000 4.321 2.637 4.554 . 0 0 "[ . 1 . 2]" 1
99 1 14 U H1' 1 15 G H8 . . 5.000 4.185 3.663 5.017 0.017 17 0 "[ . 1 . 2]" 1
100 1 15 G H3' 1 15 G H8 . . 3.300 3.057 2.990 3.149 . 0 0 "[ . 1 . 2]" 1
101 1 15 G H1' 1 16 G H8 . . 5.000 4.605 4.526 4.638 . 0 0 "[ . 1 . 2]" 1
102 1 15 G H2' 1 16 G H8 . . 2.700 2.202 2.056 2.269 . 0 0 "[ . 1 . 2]" 1
103 1 15 G H2' 1 16 G H5' . . 3.300 2.964 2.915 3.140 . 0 0 "[ . 1 . 2]" 1
104 1 15 G H3' 1 16 G H8 . . 3.300 3.138 3.008 3.329 0.029 13 0 "[ . 1 . 2]" 1
105 1 15 G H8 1 16 G H8 . . 5.000 4.890 4.840 5.013 0.013 14 0 "[ . 1 . 2]" 1
106 1 15 G H1 1 16 G H1 . . 5.000 4.568 4.504 4.757 . 0 0 "[ . 1 . 2]" 1
107 1 16 G H3' 1 16 G H8 . . 3.300 3.064 3.022 3.164 . 0 0 "[ . 1 . 2]" 1
108 1 16 G H1' 1 17 G H8 . . 5.000 4.579 4.551 4.608 . 0 0 "[ . 1 . 2]" 1
109 1 16 G H2' 1 17 G H8 . . 2.700 2.190 2.157 2.255 . 0 0 "[ . 1 . 2]" 1
110 1 16 G H2' 1 17 G H5' . . 3.300 2.851 2.808 2.909 . 0 0 "[ . 1 . 2]" 1
111 1 16 G H3' 1 17 G H8 . . 3.300 2.537 2.446 2.589 . 0 0 "[ . 1 . 2]" 1
112 1 16 G H8 1 17 G H8 . . 5.000 4.403 4.336 4.438 . 0 0 "[ . 1 . 2]" 1
113 1 16 G H1 1 17 G H1' . . 3.300 3.471 3.449 3.487 0.187 10 0 "[ . 1 . 2]" 1
114 1 16 G H22 1 17 G H1' . . 3.300 2.646 2.574 2.708 . 0 0 "[ . 1 . 2]" 1
115 1 16 G H1 1 17 G H1 . . 5.000 4.183 4.141 4.226 . 0 0 "[ . 1 . 2]" 1
116 1 16 G H1 1 51 U H3 . . 5.000 5.157 5.137 5.174 0.174 6 0 "[ . 1 . 2]" 1
117 1 17 G H1' 1 18 C H5 . . 5.000 5.158 5.136 5.179 0.179 16 0 "[ . 1 . 2]" 1
118 1 17 G H1' 1 18 C H6 . . 5.000 4.400 4.382 4.437 . 0 0 "[ . 1 . 2]" 1
119 1 17 G H2' 1 18 C H1' . . 5.000 4.006 3.933 4.081 . 0 0 "[ . 1 . 2]" 1
120 1 17 G H2' 1 18 C H5 . . 5.000 3.853 3.815 3.891 . 0 0 "[ . 1 . 2]" 1
121 1 17 G H2' 1 18 C H6 . . 2.700 2.100 2.067 2.148 . 0 0 "[ . 1 . 2]" 1
122 1 17 G H2' 1 18 C H5' . . 2.700 2.711 2.699 2.726 0.026 2 0 "[ . 1 . 2]" 1
123 1 17 G H3' 1 18 C H5 . . 3.300 2.616 2.562 2.703 . 0 0 "[ . 1 . 2]" 1
124 1 17 G H3' 1 18 C H6 . . 2.700 2.454 2.418 2.480 . 0 0 "[ . 1 . 2]" 1
125 1 17 G H8 1 18 C H5 . . 5.000 3.243 3.209 3.286 . 0 0 "[ . 1 . 2]" 1
126 1 17 G H8 1 18 C H6 . . 5.000 4.484 4.440 4.536 . 0 0 "[ . 1 . 2]" 1
127 1 17 G H1 1 50 G H1 . . 5.000 3.581 3.457 3.660 . 0 0 "[ . 1 . 2]" 1
128 1 17 G H1 1 51 U H3 . . 2.700 2.725 2.718 2.745 0.045 18 0 "[ . 1 . 2]" 1
129 1 18 C H3' 1 18 C H6 . . 3.300 2.797 2.749 2.872 . 0 0 "[ . 1 . 2]" 1
130 1 18 C H1' 1 19 C H6 . . 5.000 4.730 4.673 4.859 . 0 0 "[ . 1 . 2]" 1
131 1 18 C H2' 1 19 C H5 . . 5.000 4.327 4.172 4.437 . 0 0 "[ . 1 . 2]" 1
132 1 18 C H2' 1 19 C H6 . . 2.700 2.479 2.358 2.642 . 0 0 "[ . 1 . 2]" 1
133 1 18 C H2' 1 19 C H5' . . 3.300 2.576 2.492 2.679 . 0 0 "[ . 1 . 2]" 1
134 1 18 C H3' 1 19 C H5 . . 5.000 3.942 3.831 4.095 . 0 0 "[ . 1 . 2]" 1
135 1 18 C H3' 1 19 C H6 . . 3.300 3.306 3.250 3.348 0.048 18 0 "[ . 1 . 2]" 1
136 1 18 C H5 1 19 C H5 . . 5.000 4.128 4.027 4.275 . 0 0 "[ . 1 . 2]" 1
137 1 18 C H6 1 19 C H5 . . 5.000 4.686 4.543 4.800 . 0 0 "[ . 1 . 2]" 1
138 1 18 C H6 1 19 C H6 . . 5.000 5.036 5.016 5.054 0.054 1 0 "[ . 1 . 2]" 1
139 1 19 C H3' 1 19 C H6 . . 3.300 2.658 2.548 2.767 . 0 0 "[ . 1 . 2]" 1
140 1 19 C H1' 1 20 U H6 . . 5.000 4.921 4.792 4.984 . 0 0 "[ . 1 . 2]" 1
141 1 19 C H2' 1 20 U H5 . . 5.000 4.115 3.797 4.330 . 0 0 "[ . 1 . 2]" 1
142 1 19 C H2' 1 20 U H6 . . 2.700 2.410 2.239 2.534 . 0 0 "[ . 1 . 2]" 1
143 1 19 C H2' 1 20 U H5' . . 3.300 2.846 2.677 3.188 . 0 0 "[ . 1 . 2]" 1
144 1 19 C H3' 1 20 U H5 . . 5.000 3.965 3.710 4.105 . 0 0 "[ . 1 . 2]" 1
145 1 19 C H3' 1 20 U H6 . . 3.300 3.331 3.304 3.364 0.064 19 0 "[ . 1 . 2]" 1
146 1 19 C H5 1 20 U H5 . . 5.000 3.679 3.586 3.786 . 0 0 "[ . 1 . 2]" 1
147 1 19 C H6 1 20 U H5 . . 5.000 4.419 4.335 4.523 . 0 0 "[ . 1 . 2]" 1
148 1 19 C H6 1 20 U H6 . . 5.000 4.891 4.832 5.014 0.014 18 0 "[ . 1 . 2]" 1
149 1 19 C H5 1 50 G H1 . . 5.000 4.581 4.500 4.716 . 0 0 "[ . 1 . 2]" 1
150 1 19 C H1' 1 50 G H1 . . 5.000 5.042 5.012 5.085 0.085 6 0 "[ . 1 . 2]" 1
151 1 20 U H3' 1 20 U H6 . . 3.300 2.608 2.542 2.742 . 0 0 "[ . 1 . 2]" 1
152 1 20 U H1' 1 21 G H8 . . 5.000 4.693 4.634 4.734 . 0 0 "[ . 1 . 2]" 1
153 1 20 U H2' 1 21 G H8 . . 2.700 2.183 2.129 2.237 . 0 0 "[ . 1 . 2]" 1
154 1 20 U H2' 1 21 G H5' . . 3.300 3.106 2.993 3.248 . 0 0 "[ . 1 . 2]" 1
155 1 20 U H3' 1 21 G H8 . . 3.300 3.313 3.215 3.345 0.045 2 0 "[ . 1 . 2]" 1
156 1 20 U H6 1 21 G H8 . . 5.000 4.822 4.687 5.014 0.014 18 0 "[ . 1 . 2]" 1
157 1 20 U H3 1 21 G H8 . . 5.000 4.401 4.228 4.573 . 0 0 "[ . 1 . 2]" 1
158 1 20 U H3 1 21 G H1 . . 5.000 5.005 4.871 5.038 0.038 12 0 "[ . 1 . 2]" 1
159 1 20 U H1' 1 48 A H2 . . 5.000 5.037 5.019 5.060 0.060 18 0 "[ . 1 . 2]" 1
160 1 20 U H3 1 48 A H2 . . 3.300 2.814 2.751 2.858 . 0 0 "[ . 1 . 2]" 1
161 1 20 U H5 1 49 G H1 . . 5.000 4.329 4.038 4.501 . 0 0 "[ . 1 . 2]" 1
162 1 20 U H3 1 49 G H1 . . 5.000 3.769 3.651 3.860 . 0 0 "[ . 1 . 2]" 1
163 1 21 G H3' 1 21 G H8 . . 3.300 2.781 2.718 2.861 . 0 0 "[ . 1 . 2]" 1
164 1 21 G H1' 1 22 G H8 . . 5.000 4.713 4.684 4.736 . 0 0 "[ . 1 . 2]" 1
165 1 21 G H2' 1 22 G H8 . . 2.700 2.283 2.224 2.333 . 0 0 "[ . 1 . 2]" 1
166 1 21 G H2' 1 22 G H5' . . 3.300 2.866 2.795 2.948 . 0 0 "[ . 1 . 2]" 1
167 1 21 G H3' 1 22 G H8 . . 3.300 3.316 3.197 3.367 0.067 15 0 "[ . 1 . 2]" 1
168 1 21 G H8 1 22 G H8 . . 5.000 4.808 4.704 4.929 . 0 0 "[ . 1 . 2]" 1
169 1 21 G H1 1 22 G H1 . . 5.000 4.301 4.130 4.504 . 0 0 "[ . 1 . 2]" 1
170 1 21 G H1' 1 48 A H2 . . 5.000 3.781 3.647 4.002 . 0 0 "[ . 1 . 2]" 1
171 1 21 G H1 1 48 A H8 . . 5.000 4.919 4.744 5.008 0.008 14 0 "[ . 1 . 2]" 1
172 1 21 G H1 1 48 A H2 . . 5.000 4.914 4.730 5.004 0.004 15 0 "[ . 1 . 2]" 1
173 1 22 G H3' 1 22 G H8 . . 3.300 3.045 2.806 3.150 . 0 0 "[ . 1 . 2]" 1
174 1 22 G H1' 1 23 U H6 . . 5.000 4.924 4.876 4.990 . 0 0 "[ . 1 . 2]" 1
175 1 22 G H2' 1 23 U H6 . . 2.700 2.653 2.502 2.711 0.011 20 0 "[ . 1 . 2]" 1
176 1 22 G H2' 1 23 U H5 . . 5.000 4.687 4.467 4.781 . 0 0 "[ . 1 . 2]" 1
177 1 22 G H2' 1 23 U H5' . . 5.000 4.521 4.463 4.651 . 0 0 "[ . 1 . 2]" 1
178 1 22 G H3' 1 23 U H6 . . 3.300 3.357 3.339 3.372 0.072 20 0 "[ . 1 . 2]" 1
179 1 22 G H3' 1 23 U H5 . . 5.000 4.527 4.344 4.635 . 0 0 "[ . 1 . 2]" 1
180 1 22 G H8 1 23 U H5 . . 5.000 4.385 4.205 4.550 . 0 0 "[ . 1 . 2]" 1
181 1 22 G H8 1 23 U H6 . . 5.000 4.554 4.347 4.790 . 0 0 "[ . 1 . 2]" 1
182 1 22 G H1 1 23 U H3 . . 5.000 3.469 3.371 3.592 . 0 0 "[ . 1 . 2]" 1
183 1 22 G H1 1 45 A H2 . . 5.000 5.035 5.021 5.043 0.043 1 0 "[ . 1 . 2]" 1
184 1 22 G H1 1 47 C H5 . . 5.000 4.531 4.480 4.595 . 0 0 "[ . 1 . 2]" 1
185 1 23 U H3' 1 23 U H6 . . 3.300 3.017 2.884 3.303 0.003 15 0 "[ . 1 . 2]" 1
186 1 23 U H1' 1 24 U H6 . . 5.000 5.083 5.069 5.113 0.113 2 0 "[ . 1 . 2]" 1
187 1 23 U H2' 1 24 U H6 . . 2.700 2.713 2.702 2.728 0.028 2 0 "[ . 1 . 2]" 1
188 1 23 U H2' 1 24 U H5 . . 5.000 4.544 4.454 4.607 . 0 0 "[ . 1 . 2]" 1
189 1 23 U H2' 1 24 U H5' . . 3.300 2.752 2.652 2.865 . 0 0 "[ . 1 . 2]" 1
190 1 23 U H3' 1 24 U H6 . . 3.300 2.754 2.566 2.872 . 0 0 "[ . 1 . 2]" 1
191 1 23 U H3' 1 24 U H5 . . 5.000 3.580 3.276 3.740 . 0 0 "[ . 1 . 2]" 1
192 1 23 U H3 1 24 U H5 . . 5.000 4.370 4.162 4.533 . 0 0 "[ . 1 . 2]" 1
193 1 23 U H3 1 24 U H6 . . 5.000 4.321 4.205 4.487 . 0 0 "[ . 1 . 2]" 1
194 1 23 U H3 1 24 U H3 . . 5.000 4.348 4.177 4.507 . 0 0 "[ . 1 . 2]" 1
195 1 23 U H3 1 45 A H2 . . 3.300 2.755 2.729 2.791 . 0 0 "[ . 1 . 2]" 1
196 1 24 U H1' 1 24 U H6 . . 5.000 3.611 3.599 3.629 . 0 0 "[ . 1 . 2]" 1
197 1 24 U H2' 1 24 U H6 . . 5.000 3.927 3.876 3.965 . 0 0 "[ . 1 . 2]" 1
198 1 24 U H1' 1 25 A H8 . . 5.500 5.251 5.233 5.278 . 0 0 "[ . 1 . 2]" 1
199 1 24 U H2' 1 25 A H8 . . 2.700 2.764 2.744 2.774 0.074 8 0 "[ . 1 . 2]" 1
200 1 24 U H3' 1 25 A H8 . . 3.300 3.175 3.091 3.241 . 0 0 "[ . 1 . 2]" 1
201 1 24 U H3' 1 25 A H3' . . 5.000 3.970 3.879 4.037 . 0 0 "[ . 1 . 2]" 1
202 1 24 U H6 1 25 A H2' . . 3.300 3.294 3.225 3.339 0.039 2 0 "[ . 1 . 2]" 1
203 1 24 U H6 1 25 A H3' . . 5.000 5.029 4.970 5.077 0.077 5 0 "[ . 1 . 2]" 1
204 1 24 U H5 1 25 A H8 . . 5.000 4.915 4.795 5.009 0.009 15 0 "[ . 1 . 2]" 1
205 1 24 U H6 1 25 A H8 . . 5.000 4.686 4.613 4.747 . 0 0 "[ . 1 . 2]" 1
206 1 24 U H3 1 25 A H8 . . 5.000 4.618 4.532 4.764 . 0 0 "[ . 1 . 2]" 1
207 1 24 U H1' 1 45 A H2 . . 3.300 2.822 2.673 3.064 . 0 0 "[ . 1 . 2]" 1
208 1 24 U H6 1 45 A H2 . . 5.000 4.647 4.391 4.906 . 0 0 "[ . 1 . 2]" 1
209 1 24 U H3 1 45 A H2 . . 5.000 5.044 5.027 5.052 0.052 11 0 "[ . 1 . 2]" 1
210 1 24 U H3 1 44 U H3 . . 2.700 2.656 2.634 2.668 . 0 0 "[ . 1 . 2]" 1
211 1 24 U H3 1 43 A H8 . . 5.500 5.574 5.565 5.589 0.089 20 0 "[ . 1 . 2]" 1
212 1 25 A H1' 1 25 A H8 . . 5.000 3.925 3.913 3.942 . 0 0 "[ . 1 . 2]" 1
213 1 25 A H2' 1 25 A H8 . . 3.300 2.944 2.830 3.050 . 0 0 "[ . 1 . 2]" 1
214 1 25 A H3' 1 25 A H8 . . 5.000 4.993 4.935 5.020 0.020 19 0 "[ . 1 . 2]" 1
215 1 25 A H1' 1 26 G H8 . . 7.000 7.002 6.735 7.127 0.127 20 0 "[ . 1 . 2]" 1
216 1 25 A H1' 1 26 G H4' . . 3.300 3.321 3.193 3.417 0.117 5 0 "[ . 1 . 2]" 1
217 1 25 A H4' 1 26 G H4' . . 2.700 2.552 2.484 2.644 . 0 0 "[ . 1 . 2]" 1
218 1 25 A H2 1 26 G H1 . . 5.000 4.654 4.385 4.944 . 0 0 "[ . 1 . 2]" 1
219 1 25 A H8 1 27 U H1' . . 5.000 4.023 3.948 4.170 . 0 0 "[ . 1 . 2]" 1
220 1 25 A H1' 1 27 U H5 . . 3.300 3.097 2.903 3.275 . 0 0 "[ . 1 . 2]" 1
221 1 25 A H1' 1 27 U H6 . . 5.000 3.762 3.699 3.905 . 0 0 "[ . 1 . 2]" 1
222 1 25 A H1' 1 27 U H3 . . 5.000 4.933 4.794 5.039 0.039 14 0 "[ . 1 . 2]" 1
223 1 25 A H4' 1 27 U H5 . . 5.000 4.159 3.922 4.348 . 0 0 "[ . 1 . 2]" 1
224 1 25 A H4' 1 27 U H6 . . 3.300 2.770 2.674 2.862 . 0 0 "[ . 1 . 2]" 1
225 1 25 A H4' 1 27 U H5' . . 3.300 3.313 3.224 3.345 0.045 12 0 "[ . 1 . 2]" 1
226 1 25 A H5' 1 27 U H6 . . 5.000 4.061 3.939 4.145 . 0 0 "[ . 1 . 2]" 1
227 1 25 A H5' 1 27 U H1' . . 2.700 2.034 1.978 2.129 . 0 0 "[ . 1 . 2]" 1
228 1 25 A H5'' 1 27 U H6 . . 5.000 4.770 4.659 4.859 . 0 0 "[ . 1 . 2]" 1
229 1 25 A H2 1 27 U H3 . . 6.000 5.952 5.793 6.035 0.035 20 0 "[ . 1 . 2]" 1
230 1 25 A H8 1 27 U H3 . . 5.000 4.216 4.059 4.334 . 0 0 "[ . 1 . 2]" 1
231 1 25 A H2 1 27 U H5 . . 5.000 5.057 5.009 5.125 0.125 6 0 "[ . 1 . 2]" 1
232 1 25 A H8 1 27 U H6 . . 6.000 5.688 5.627 5.749 . 0 0 "[ . 1 . 2]" 1
233 1 25 A H2 1 41 G H2' . . 6.000 5.972 5.714 6.043 0.043 20 0 "[ . 1 . 2]" 1
234 1 25 A H2 1 42 A H5' . . 5.000 4.712 4.502 4.942 . 0 0 "[ . 1 . 2]" 1
235 1 25 A H2 1 42 A H5'' . . 5.000 4.009 3.877 4.164 . 0 0 "[ . 1 . 2]" 1
236 1 25 A H2 1 42 A H8 . . 5.000 4.985 4.735 5.037 0.037 20 0 "[ . 1 . 2]" 1
237 1 25 A H8 1 44 U H3 . . 7.000 5.491 5.339 5.653 . 0 0 "[ . 1 . 2]" 1
238 1 26 G H1' 1 26 G H8 . . 5.000 3.811 3.782 3.858 . 0 0 "[ . 1 . 2]" 1
239 1 26 G H2' 1 26 G H8 . . 2.700 2.192 2.161 2.256 . 0 0 "[ . 1 . 2]" 1
240 1 26 G H3' 1 26 G H8 . . 5.000 4.567 4.523 4.645 . 0 0 "[ . 1 . 2]" 1
241 1 26 G H1' 1 27 U H5 . . 2.700 2.136 2.055 2.248 . 0 0 "[ . 1 . 2]" 1
242 1 26 G H1' 1 27 U H6 . . 5.000 3.327 3.232 3.424 . 0 0 "[ . 1 . 2]" 1
243 1 26 G H2' 1 27 U H5 . . 5.000 4.875 4.839 4.936 . 0 0 "[ . 1 . 2]" 1
244 1 26 G H3' 1 27 U H5 . . 5.000 5.003 4.899 5.058 0.058 6 0 "[ . 1 . 2]" 1
245 1 26 G H4' 1 27 U H5 . . 5.000 3.246 3.109 3.337 . 0 0 "[ . 1 . 2]" 1
246 1 26 G H4' 1 27 U H6 . . 3.300 2.763 2.666 2.884 . 0 0 "[ . 1 . 2]" 1
247 1 26 G H4' 1 27 U H5' . . 3.300 3.316 3.243 3.360 0.060 1 0 "[ . 1 . 2]" 1
248 1 26 G H1 1 41 G H8 . . 5.000 4.244 4.002 4.471 . 0 0 "[ . 1 . 2]" 1
249 1 26 G H8 1 41 G H1 . . 5.000 5.056 4.925 5.107 0.107 14 0 "[ . 1 . 2]" 1
250 1 26 G H1 1 41 G H2' . . 5.000 3.006 2.444 3.220 . 0 0 "[ . 1 . 2]" 1
251 1 26 G H1 1 41 G H3' . . 2.700 2.472 2.072 2.676 . 0 0 "[ . 1 . 2]" 1
252 1 26 G H1' 1 41 G H1 . . 3.300 2.645 2.489 2.825 . 0 0 "[ . 1 . 2]" 1
253 1 26 G H2' 1 41 G H1 . . 5.000 4.550 4.350 4.653 . 0 0 "[ . 1 . 2]" 1
254 1 26 G H3' 1 41 G H1 . . 5.000 4.860 4.703 4.939 . 0 0 "[ . 1 . 2]" 1
255 1 26 G H1 1 42 A H8 . . 5.000 5.095 5.000 5.144 0.144 11 0 "[ . 1 . 2]" 1
256 1 27 U H1' 1 27 U H6 . . 5.000 3.512 3.499 3.530 . 0 0 "[ . 1 . 2]" 1
257 1 27 U H3' 1 27 U H6 . . 3.300 3.245 3.164 3.305 0.005 5 0 "[ . 1 . 2]" 1
258 1 27 U H1' 1 28 A H8 . . 5.000 4.397 4.342 4.502 . 0 0 "[ . 1 . 2]" 1
259 1 27 U H2' 1 28 A H8 . . 2.700 2.138 2.047 2.292 . 0 0 "[ . 1 . 2]" 1
260 1 27 U H2' 1 28 A H5' . . 2.700 2.523 2.481 2.589 . 0 0 "[ . 1 . 2]" 1
261 1 27 U H3' 1 28 A H8 . . 2.700 2.743 2.731 2.751 0.051 6 0 "[ . 1 . 2]" 1
262 1 27 U H3' 1 29 C H5 . . 5.000 4.563 4.491 4.613 . 0 0 "[ . 1 . 2]" 1
263 1 27 U H6 1 28 A H8 . . 5.000 4.651 4.559 4.743 . 0 0 "[ . 1 . 2]" 1
264 1 27 U H3 1 28 A H8 . . 5.000 4.065 3.980 4.166 . 0 0 "[ . 1 . 2]" 1
265 1 27 U H3 1 28 A H1' . . 5.000 4.773 4.653 4.900 . 0 0 "[ . 1 . 2]" 1
266 1 27 U H3 1 42 A H8 . . 3.300 3.265 3.176 3.307 0.007 17 0 "[ . 1 . 2]" 1
267 1 27 U H3 1 42 A H1' . . 6.000 6.012 5.977 6.035 0.035 16 0 "[ . 1 . 2]" 1
268 1 27 U H5 1 41 G H1 . . 5.000 3.970 3.767 4.309 . 0 0 "[ . 1 . 2]" 1
269 1 27 U H6 1 41 G H1 . . 5.000 4.571 4.362 4.820 . 0 0 "[ . 1 . 2]" 1
270 1 28 A H3' 1 28 A H8 . . 3.300 3.319 3.311 3.332 0.032 15 0 "[ . 1 . 2]" 1
271 1 28 A H2 1 29 C H1' . . 2.700 2.463 2.446 2.477 . 0 0 "[ . 1 . 2]" 1
272 1 28 A H2 1 29 C H2' . . 5.000 5.103 5.097 5.112 0.112 14 0 "[ . 1 . 2]" 1
273 1 28 A H2 1 29 C H4' . . 5.000 4.951 4.841 5.002 0.002 9 0 "[ . 1 . 2]" 1
274 1 28 A H1' 1 29 C H6 . . 5.000 4.686 4.666 4.700 . 0 0 "[ . 1 . 2]" 1
275 1 28 A H2' 1 29 C H5 . . 5.000 4.098 4.034 4.175 . 0 0 "[ . 1 . 2]" 1
276 1 28 A H2' 1 29 C H6 . . 2.700 2.305 2.282 2.335 . 0 0 "[ . 1 . 2]" 1
277 1 28 A H2' 1 29 C H5' . . 2.700 2.645 2.563 2.681 . 0 0 "[ . 1 . 2]" 1
278 1 28 A H3' 1 29 C H5 . . 3.300 2.677 2.580 2.828 . 0 0 "[ . 1 . 2]" 1
279 1 28 A H3' 1 29 C H6 . . 2.700 2.301 2.261 2.375 . 0 0 "[ . 1 . 2]" 1
280 1 28 A H3' 1 29 C H5' . . 5.000 3.834 3.787 3.859 . 0 0 "[ . 1 . 2]" 1
281 1 28 A H8 1 29 C H5 . . 5.000 3.441 3.379 3.552 . 0 0 "[ . 1 . 2]" 1
282 1 28 A H8 1 29 C H6 . . 5.000 4.479 4.447 4.517 . 0 0 "[ . 1 . 2]" 1
283 1 28 A H8 1 41 G H1 . . 7.000 6.168 6.111 6.221 . 0 0 "[ . 1 . 2]" 1
284 1 28 A H2 1 42 A H1' . . 5.000 3.841 3.535 4.007 . 0 0 "[ . 1 . 2]" 1
285 1 28 A H1' 1 42 A H2 . . 5.000 4.805 4.612 4.940 . 0 0 "[ . 1 . 2]" 1
286 1 28 A H2 1 42 A H2 . . 5.000 4.103 3.968 4.229 . 0 0 "[ . 1 . 2]" 1
287 1 29 C H3' 1 29 C H6 . . 3.300 2.814 2.781 2.870 . 0 0 "[ . 1 . 2]" 1
288 1 29 C H1' 1 30 C H6 . . 5.000 4.805 4.778 4.851 . 0 0 "[ . 1 . 2]" 1
289 1 29 C H2' 1 30 C H5 . . 5.000 4.010 3.963 4.088 . 0 0 "[ . 1 . 2]" 1
290 1 29 C H2' 1 30 C H6 . . 2.700 2.295 2.261 2.356 . 0 0 "[ . 1 . 2]" 1
291 1 29 C H2' 1 30 C H5' . . 3.300 3.129 3.070 3.150 . 0 0 "[ . 1 . 2]" 1
292 1 29 C H3' 1 30 C H5 . . 5.000 3.583 3.507 3.714 . 0 0 "[ . 1 . 2]" 1
293 1 29 C H3' 1 30 C H6 . . 3.300 2.998 2.947 3.089 . 0 0 "[ . 1 . 2]" 1
294 1 29 C H5 1 30 C H5 . . 5.000 4.029 3.960 4.120 . 0 0 "[ . 1 . 2]" 1
295 1 29 C H6 1 30 C H5 . . 5.000 4.333 4.230 4.521 . 0 0 "[ . 1 . 2]" 1
296 1 29 C H6 1 30 C H6 . . 5.000 4.878 4.813 4.969 . 0 0 "[ . 1 . 2]" 1
297 1 30 C H3' 1 30 C H6 . . 3.300 2.635 2.591 2.661 . 0 0 "[ . 1 . 2]" 1
298 1 30 C H5 1 40 G H1 . . 5.000 4.771 4.624 4.928 . 0 0 "[ . 1 . 2]" 1
299 1 31 U H3' 1 31 U H6 . . 5.000 2.806 2.787 2.817 . 0 0 "[ . 1 . 2]" 1
300 1 31 U H3 1 38 U H3 . . 2.700 2.522 2.520 2.525 . 0 0 "[ . 1 . 2]" 1
301 1 32 C H3' 1 32 C H6 . . 3.300 2.582 2.570 2.591 . 0 0 "[ . 1 . 2]" 1
302 1 37 G H3' 1 37 G H8 . . 3.300 2.614 2.604 2.622 . 0 0 "[ . 1 . 2]" 1
303 1 38 U H3' 1 38 U H6 . . 5.000 2.554 2.516 2.564 . 0 0 "[ . 1 . 2]" 1
304 1 39 G H3' 1 39 G H8 . . 3.300 2.564 2.527 2.587 . 0 0 "[ . 1 . 2]" 1
305 1 39 G H1' 1 40 G H8 . . 5.000 4.571 4.509 4.606 . 0 0 "[ . 1 . 2]" 1
306 1 39 G H2' 1 40 G H8 . . 2.700 2.162 2.139 2.205 . 0 0 "[ . 1 . 2]" 1
307 1 39 G H2' 1 40 G H5' . . 3.300 2.878 2.794 2.935 . 0 0 "[ . 1 . 2]" 1
308 1 39 G H3' 1 40 G H8 . . 3.300 3.208 3.174 3.291 . 0 0 "[ . 1 . 2]" 1
309 1 39 G H8 1 40 G H8 . . 5.000 4.549 4.475 4.610 . 0 0 "[ . 1 . 2]" 1
310 1 39 G H1 1 40 G H1 . . 5.000 4.177 4.060 4.355 . 0 0 "[ . 1 . 2]" 1
311 1 40 G H3' 1 40 G H8 . . 3.300 3.054 3.008 3.077 . 0 0 "[ . 1 . 2]" 1
312 1 40 G H1' 1 41 G H8 . . 5.000 4.754 4.686 4.823 . 0 0 "[ . 1 . 2]" 1
313 1 40 G H2' 1 41 G H8 . . 3.300 2.511 2.415 2.588 . 0 0 "[ . 1 . 2]" 1
314 1 40 G H2' 1 41 G H5' . . 3.300 2.244 2.178 2.271 . 0 0 "[ . 1 . 2]" 1
315 1 40 G H3' 1 41 G H8 . . 2.700 2.255 2.215 2.314 . 0 0 "[ . 1 . 2]" 1
316 1 40 G H5' 1 41 G H8 . . 6.000 5.944 5.915 5.981 . 0 0 "[ . 1 . 2]" 1
317 1 40 G H5'' 1 41 G H8 . . 5.000 5.085 5.063 5.123 0.123 20 0 "[ . 1 . 2]" 1
318 1 40 G H8 1 41 G H8 . . 5.000 4.049 3.988 4.093 . 0 0 "[ . 1 . 2]" 1
319 1 40 G H1 1 41 G H1' . . 3.300 3.176 3.087 3.213 . 0 0 "[ . 1 . 2]" 1
320 1 41 G H3' 1 41 G H8 . . 3.300 2.752 2.696 2.902 . 0 0 "[ . 1 . 2]" 1
321 1 41 G H1' 1 42 A H8 . . 5.500 5.235 5.087 5.460 . 0 0 "[ . 1 . 2]" 1
322 1 41 G H2' 1 42 A H8 . . 5.000 3.368 3.220 3.671 . 0 0 "[ . 1 . 2]" 1
323 1 41 G H2' 1 42 A H5'' . . 5.000 4.313 4.249 4.424 . 0 0 "[ . 1 . 2]" 1
324 1 42 A H3' 1 42 A H8 . . 5.000 3.338 3.262 3.364 . 0 0 "[ . 1 . 2]" 1
325 1 42 A H1' 1 42 A H2 . . 5.000 4.977 4.966 4.989 . 0 0 "[ . 1 . 2]" 1
326 1 42 A H2 1 43 A H1' . . 3.300 2.515 2.421 2.628 . 0 0 "[ . 1 . 2]" 1
327 1 42 A H1' 1 43 A H8 . . 5.000 4.885 4.836 4.923 . 0 0 "[ . 1 . 2]" 1
328 1 42 A H2' 1 43 A H8 . . 2.700 2.566 2.514 2.624 . 0 0 "[ . 1 . 2]" 1
329 1 42 A H2' 1 43 A H1' . . 3.300 3.371 3.337 3.394 0.094 6 0 "[ . 1 . 2]" 1
330 1 42 A H2' 1 43 A H5' . . 3.300 2.918 2.854 2.966 . 0 0 "[ . 1 . 2]" 1
331 1 42 A H3' 1 43 A H8 . . 2.700 2.154 2.126 2.180 . 0 0 "[ . 1 . 2]" 1
332 1 42 A H4' 1 43 A H8 . . 5.000 4.974 4.925 5.003 0.003 15 0 "[ . 1 . 2]" 1
333 1 42 A H5' 1 43 A H8 . . 5.000 4.997 4.929 5.018 0.018 20 0 "[ . 1 . 2]" 1
334 1 42 A H5'' 1 43 A H8 . . 5.000 4.262 4.189 4.290 . 0 0 "[ . 1 . 2]" 1
335 1 42 A H2 1 43 A H2 . . 5.000 4.835 4.738 5.000 0.000 12 0 "[ . 1 . 2]" 1
336 1 42 A H2 1 43 A H8 . . 5.000 5.044 5.026 5.067 0.067 20 0 "[ . 1 . 2]" 1
337 1 42 A H8 1 43 A H8 . . 5.000 4.817 4.647 4.893 . 0 0 "[ . 1 . 2]" 1
338 1 43 A H3' 1 43 A H8 . . 5.000 3.319 3.274 3.358 . 0 0 "[ . 1 . 2]" 1
339 1 43 A H2 1 44 U H1' . . 5.000 3.273 3.110 3.536 . 0 0 "[ . 1 . 2]" 1
340 1 43 A H2' 1 44 U H5 . . 5.000 4.060 3.990 4.172 . 0 0 "[ . 1 . 2]" 1
341 1 43 A H2' 1 44 U H6 . . 2.700 2.446 2.313 2.563 . 0 0 "[ . 1 . 2]" 1
342 1 43 A H2' 1 44 U H5' . . 5.000 2.764 2.656 2.861 . 0 0 "[ . 1 . 2]" 1
343 1 43 A H3' 1 44 U H5 . . 3.300 2.716 2.637 2.785 . 0 0 "[ . 1 . 2]" 1
344 1 43 A H3' 1 44 U H6 . . 2.700 2.344 2.258 2.424 . 0 0 "[ . 1 . 2]" 1
345 1 43 A H2 1 44 U H3 . . 6.000 5.593 5.351 5.771 . 0 0 "[ . 1 . 2]" 1
346 1 43 A H8 1 44 U H5 . . 5.000 3.382 3.246 3.506 . 0 0 "[ . 1 . 2]" 1
347 1 44 U H3' 1 44 U H6 . . 5.000 2.583 2.463 2.729 . 0 0 "[ . 1 . 2]" 1
348 1 44 U H2' 1 45 A H8 . . 2.700 2.280 2.226 2.364 . 0 0 "[ . 1 . 2]" 1
349 1 44 U H2' 1 45 A H5' . . 3.300 3.034 2.971 3.118 . 0 0 "[ . 1 . 2]" 1
350 1 44 U H3' 1 45 A H8 . . 3.300 2.923 2.846 3.023 . 0 0 "[ . 1 . 2]" 1
351 1 44 U H3 1 45 A H1' . . 5.000 4.893 4.744 5.004 0.004 8 0 "[ . 1 . 2]" 1
352 1 44 U H3 1 45 A H2 . . 5.000 4.854 4.638 5.005 0.005 1 0 "[ . 1 . 2]" 1
353 1 45 A H3' 1 45 A H8 . . 3.300 2.683 2.647 2.722 . 0 0 "[ . 1 . 2]" 1
354 1 45 A H2 1 46 C H1' . . 5.000 4.335 4.207 4.480 . 0 0 "[ . 1 . 2]" 1
355 1 45 A H1' 1 46 C H6 . . 5.000 4.762 4.733 4.801 . 0 0 "[ . 1 . 2]" 1
356 1 45 A H2' 1 46 C H5 . . 5.000 3.916 3.835 4.051 . 0 0 "[ . 1 . 2]" 1
357 1 45 A H2' 1 46 C H6 . . 2.700 2.239 2.204 2.300 . 0 0 "[ . 1 . 2]" 1
358 1 45 A H2' 1 46 C H5' . . 3.300 2.999 2.931 3.060 . 0 0 "[ . 1 . 2]" 1
359 1 45 A H3' 1 46 C H5 . . 5.000 4.014 3.932 4.116 . 0 0 "[ . 1 . 2]" 1
360 1 45 A H3' 1 46 C H6 . . 3.300 3.360 3.344 3.374 0.074 18 0 "[ . 1 . 2]" 1
361 1 45 A H8 1 46 C H5 . . 5.000 4.348 4.223 4.426 . 0 0 "[ . 1 . 2]" 1
362 1 45 A H8 1 46 C H6 . . 5.000 4.918 4.871 4.985 . 0 0 "[ . 1 . 2]" 1
363 1 46 C H3' 1 46 C H6 . . 5.000 2.678 2.621 2.721 . 0 0 "[ . 1 . 2]" 1
364 1 46 C H1' 1 47 C H6 . . 5.000 4.864 4.844 4.883 . 0 0 "[ . 1 . 2]" 1
365 1 46 C H2' 1 47 C H5 . . 5.000 3.947 3.870 4.006 . 0 0 "[ . 1 . 2]" 1
366 1 46 C H2' 1 47 C H6 . . 2.700 2.280 2.253 2.312 . 0 0 "[ . 1 . 2]" 1
367 1 46 C H2' 1 47 C H5' . . 3.300 3.041 2.971 3.095 . 0 0 "[ . 1 . 2]" 1
368 1 46 C H3' 1 47 C H5 . . 5.000 3.996 3.911 4.065 . 0 0 "[ . 1 . 2]" 1
369 1 46 C H3' 1 47 C H6 . . 3.300 3.347 3.336 3.357 0.057 12 0 "[ . 1 . 2]" 1
370 1 46 C H5 1 47 C H5 . . 5.000 3.947 3.853 3.995 . 0 0 "[ . 1 . 2]" 1
371 1 46 C H6 1 47 C H5 . . 5.000 4.457 4.378 4.537 . 0 0 "[ . 1 . 2]" 1
372 1 46 C H6 1 47 C H6 . . 5.000 4.933 4.861 4.984 . 0 0 "[ . 1 . 2]" 1
373 1 47 C H3' 1 47 C H6 . . 3.300 2.584 2.556 2.608 . 0 0 "[ . 1 . 2]" 1
374 1 47 C H1' 1 48 A H8 . . 5.000 4.779 4.751 4.801 . 0 0 "[ . 1 . 2]" 1
375 1 47 C H2' 1 48 A H8 . . 2.700 2.179 2.154 2.218 . 0 0 "[ . 1 . 2]" 1
376 1 47 C H2' 1 48 A H5' . . 3.300 3.188 3.062 3.280 . 0 0 "[ . 1 . 2]" 1
377 1 47 C H3' 1 48 A H8 . . 3.300 3.309 3.269 3.325 0.025 10 0 "[ . 1 . 2]" 1
378 1 47 C H6 1 48 A H8 . . 5.000 4.817 4.748 4.880 . 0 0 "[ . 1 . 2]" 1
379 1 48 A H3' 1 48 A H8 . . 3.300 2.751 2.701 2.821 . 0 0 "[ . 1 . 2]" 1
380 1 48 A H2 1 49 G H1' . . 5.000 3.711 3.496 3.937 . 0 0 "[ . 1 . 2]" 1
381 1 48 A H1' 1 49 G H8 . . 5.000 4.714 4.684 4.777 . 0 0 "[ . 1 . 2]" 1
382 1 48 A H2' 1 49 G H8 . . 2.700 2.248 2.184 2.343 . 0 0 "[ . 1 . 2]" 1
383 1 48 A H2' 1 49 G H5' . . 3.300 2.964 2.857 3.096 . 0 0 "[ . 1 . 2]" 1
384 1 48 A H3' 1 49 G H8 . . 3.300 3.293 3.233 3.309 0.009 13 0 "[ . 1 . 2]" 1
385 1 48 A H2 1 49 G H8 . . 5.000 4.804 4.703 4.969 . 0 0 "[ . 1 . 2]" 1
386 1 48 A H8 1 49 G H8 . . 5.000 4.844 4.772 4.946 . 0 0 "[ . 1 . 2]" 1
387 1 48 A H2 1 49 G H1 . . 6.000 5.421 5.256 5.515 . 0 0 "[ . 1 . 2]" 1
388 1 49 G H3' 1 49 G H8 . . 3.300 2.912 2.850 2.978 . 0 0 "[ . 1 . 2]" 1
389 1 49 G H1' 1 50 G H8 . . 5.000 4.748 4.684 4.796 . 0 0 "[ . 1 . 2]" 1
390 1 49 G H2' 1 50 G H8 . . 2.700 2.395 2.322 2.463 . 0 0 "[ . 1 . 2]" 1
391 1 49 G H2' 1 50 G H5' . . 3.300 2.664 2.637 2.714 . 0 0 "[ . 1 . 2]" 1
392 1 49 G H3' 1 50 G H8 . . 3.300 3.259 3.174 3.324 0.024 18 0 "[ . 1 . 2]" 1
393 1 49 G H8 1 50 G H8 . . 5.000 4.755 4.664 4.803 . 0 0 "[ . 1 . 2]" 1
394 1 49 G H1 1 50 G H1 . . 5.000 4.551 4.427 4.717 . 0 0 "[ . 1 . 2]" 1
395 1 50 G H3' 1 50 G H8 . . 3.300 3.210 3.168 3.286 . 0 0 "[ . 1 . 2]" 1
396 1 50 G H1' 1 51 U H6 . . 5.000 5.005 4.987 5.013 0.013 18 0 "[ . 1 . 2]" 1
397 1 50 G H2' 1 51 U H5 . . 5.000 3.955 3.809 4.028 . 0 0 "[ . 1 . 2]" 1
398 1 50 G H2' 1 51 U H6 . . 2.700 2.417 2.364 2.443 . 0 0 "[ . 1 . 2]" 1
399 1 50 G H2' 1 51 U H5' . . 3.300 2.796 2.724 2.843 . 0 0 "[ . 1 . 2]" 1
400 1 50 G H3' 1 51 U H5 . . 5.000 3.501 3.413 3.614 . 0 0 "[ . 1 . 2]" 1
401 1 50 G H3' 1 51 U H6 . . 3.300 2.941 2.869 3.015 . 0 0 "[ . 1 . 2]" 1
402 1 50 G H8 1 51 U H5 . . 5.000 4.212 4.062 4.327 . 0 0 "[ . 1 . 2]" 1
403 1 50 G H1 1 51 U H3 . . 3.300 3.372 3.357 3.390 0.090 3 0 "[ . 1 . 2]" 1
404 1 51 U H2' 1 51 U H6 . . 3.300 2.389 2.306 2.415 . 0 0 "[ . 1 . 2]" 1
405 1 52 G H3' 1 52 G H8 . . 3.300 2.880 2.743 2.969 . 0 0 "[ . 1 . 2]" 1
406 1 52 G H1' 1 53 C H6 . . 5.000 4.814 4.791 4.853 . 0 0 "[ . 1 . 2]" 1
407 1 52 G H2' 1 53 C H5 . . 5.000 3.833 3.695 4.116 . 0 0 "[ . 1 . 2]" 1
408 1 52 G H2' 1 53 C H6 . . 2.700 2.269 2.211 2.397 . 0 0 "[ . 1 . 2]" 1
409 1 52 G H2' 1 53 C H5' . . 3.300 2.991 2.843 3.118 . 0 0 "[ . 1 . 2]" 1
410 1 52 G H3' 1 53 C H5 . . 5.000 3.709 3.501 3.938 . 0 0 "[ . 1 . 2]" 1
411 1 52 G H3' 1 53 C H6 . . 3.300 3.262 3.164 3.321 0.021 12 0 "[ . 1 . 2]" 1
412 1 52 G H8 1 53 C H5 . . 5.000 3.899 3.798 4.037 . 0 0 "[ . 1 . 2]" 1
413 1 53 C H3' 1 53 C H6 . . 3.300 2.517 2.487 2.567 . 0 0 "[ . 1 . 2]" 1
414 1 53 C H1' 1 54 C H6 . . 5.000 4.769 4.746 4.797 . 0 0 "[ . 1 . 2]" 1
415 1 53 C H2' 1 54 C H5 . . 5.000 3.878 3.786 4.005 . 0 0 "[ . 1 . 2]" 1
416 1 53 C H2' 1 54 C H6 . . 2.700 2.235 2.201 2.278 . 0 0 "[ . 1 . 2]" 1
417 1 53 C H2' 1 54 C H5' . . 3.300 2.946 2.864 2.989 . 0 0 "[ . 1 . 2]" 1
418 1 53 C H3' 1 54 C H5 . . 5.000 3.846 3.761 3.953 . 0 0 "[ . 1 . 2]" 1
419 1 53 C H3' 1 54 C H6 . . 3.300 3.330 3.319 3.346 0.046 12 0 "[ . 1 . 2]" 1
420 1 53 C H5 1 54 C H5 . . 5.000 3.656 3.596 3.749 . 0 0 "[ . 1 . 2]" 1
421 1 53 C H6 1 54 C H5 . . 5.000 4.142 4.046 4.328 . 0 0 "[ . 1 . 2]" 1
422 1 53 C H6 1 54 C H6 . . 5.000 4.746 4.699 4.812 . 0 0 "[ . 1 . 2]" 1
423 1 54 C H3' 1 54 C H6 . . 3.300 2.606 2.581 2.650 . 0 0 "[ . 1 . 2]" 1
424 1 54 C H1' 1 55 C H6 . . 5.000 4.817 4.792 4.847 . 0 0 "[ . 1 . 2]" 1
425 1 54 C H2' 1 55 C H5 . . 5.000 3.953 3.889 4.032 . 0 0 "[ . 1 . 2]" 1
426 1 54 C H2' 1 55 C H6 . . 2.700 2.282 2.246 2.329 . 0 0 "[ . 1 . 2]" 1
427 1 54 C H2' 1 55 C H5' . . 3.300 2.935 2.878 2.987 . 0 0 "[ . 1 . 2]" 1
428 1 54 C H3' 1 55 C H5 . . 5.000 3.906 3.842 3.946 . 0 0 "[ . 1 . 2]" 1
429 1 54 C H3' 1 55 C H6 . . 3.300 3.333 3.322 3.346 0.046 12 0 "[ . 1 . 2]" 1
430 1 54 C H5 1 55 C H5 . . 5.000 3.738 3.679 3.833 . 0 0 "[ . 1 . 2]" 1
431 1 54 C H6 1 55 C H5 . . 5.000 4.262 4.175 4.376 . 0 0 "[ . 1 . 2]" 1
432 1 54 C H6 1 55 C H6 . . 5.000 4.814 4.774 4.900 . 0 0 "[ . 1 . 2]" 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 70
_Distance_constraint_stats_list.Viol_count 76
_Distance_constraint_stats_list.Viol_total 44.494
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0293
_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
2 1 MET 0.616 0.082 2 0 "[ . 1 . 2]"
2 2 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 CYS 0.047 0.010 13 0 "[ . 1 . 2]"
2 5 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ALA 0.047 0.010 13 0 "[ . 1 . 2]"
2 13 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 LYS 0.616 0.082 2 0 "[ . 1 . 2]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ASN 1.342 0.074 17 0 "[ . 1 . 2]"
2 18 GLN 0.020 0.012 3 0 "[ . 1 . 2]"
2 19 LEU 0.006 0.005 2 0 "[ . 1 . 2]"
2 20 LYS 0.370 0.053 18 0 "[ . 1 . 2]"
2 21 VAL 1.121 0.074 17 0 "[ . 1 . 2]"
2 22 HIS 0.020 0.012 3 0 "[ . 1 . 2]"
2 23 GLN 0.154 0.037 13 0 "[ . 1 . 2]"
2 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 SER 0.046 0.046 17 0 "[ . 1 . 2]"
2 26 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 GLN 0.046 0.046 17 0 "[ . 1 . 2]"
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 2 1 MET HA 2 2 TYR H . . 2.700 2.170 2.157 2.182 . 0 0 "[ . 1 . 2]" 2
2 2 2 TYR HA 2 3 VAL H . . 2.700 2.149 2.144 2.154 . 0 0 "[ . 1 . 2]" 2
3 2 3 VAL HA 2 4 CYS H . . 2.700 2.188 2.183 2.195 . 0 0 "[ . 1 . 2]" 2
4 2 4 CYS HA 2 5 HIS H . . 2.700 2.162 2.157 2.168 . 0 0 "[ . 1 . 2]" 2
5 2 11 LYS HA 2 12 ALA H . . 2.700 2.255 2.248 2.270 . 0 0 "[ . 1 . 2]" 2
6 2 12 ALA HA 2 13 PHE H . . 2.700 2.188 2.175 2.201 . 0 0 "[ . 1 . 2]" 2
7 2 13 PHE HA 2 14 LYS H . . 2.700 2.292 2.254 2.331 . 0 0 "[ . 1 . 2]" 2
8 2 1 MET HA 2 14 LYS HA . . 3.300 3.307 3.029 3.382 0.082 2 0 "[ . 1 . 2]" 2
9 2 3 VAL HA 2 12 ALA HA . . 2.700 2.103 2.083 2.116 . 0 0 "[ . 1 . 2]" 2
10 2 3 VAL HA 2 13 PHE H . . 3.300 3.164 3.102 3.232 . 0 0 "[ . 1 . 2]" 2
11 2 4 CYS H 2 12 ALA HA . . 3.300 3.289 3.247 3.310 0.010 13 0 "[ . 1 . 2]" 2
12 2 2 TYR H 2 14 LYS HA . . 5.000 3.988 3.729 4.089 . 0 0 "[ . 1 . 2]" 2
13 2 2 TYR H 2 12 ALA HA . . 5.000 4.910 4.821 4.971 . 0 0 "[ . 1 . 2]" 2
14 2 2 TYR H 2 13 PHE H . . 3.500 3.220 3.132 3.293 . 0 0 "[ . 1 . 2]" 2
15 2 4 CYS H 2 11 LYS H . . 5.000 3.915 3.860 3.960 . 0 0 "[ . 1 . 2]" 2
16 2 2 TYR H 2 13 PHE O . . 2.000 1.905 1.841 1.945 . 0 0 "[ . 1 . 2]" 2
17 2 2 TYR N 2 13 PHE O . . 3.000 2.887 2.834 2.941 . 0 0 "[ . 1 . 2]" 2
18 2 4 CYS H 2 11 LYS O . . 2.000 1.774 1.763 1.785 . 0 0 "[ . 1 . 2]" 2
19 2 4 CYS N 2 11 LYS O . . 3.000 2.773 2.764 2.785 . 0 0 "[ . 1 . 2]" 2
20 2 2 TYR O 2 13 PHE H . . 2.000 1.774 1.767 1.780 . 0 0 "[ . 1 . 2]" 2
21 2 2 TYR O 2 13 PHE N . . 3.000 2.769 2.757 2.777 . 0 0 "[ . 1 . 2]" 2
22 2 16 HIS H 2 17 ASN H . . 3.000 2.736 2.682 2.787 . 0 0 "[ . 1 . 2]" 2
23 2 17 ASN H 2 18 GLN H . . 3.000 2.661 2.614 2.683 . 0 0 "[ . 1 . 2]" 2
24 2 18 GLN H 2 19 LEU H . . 3.000 2.456 2.429 2.475 . 0 0 "[ . 1 . 2]" 2
25 2 19 LEU H 2 20 LYS H . . 3.000 2.865 2.837 2.892 . 0 0 "[ . 1 . 2]" 2
26 2 21 VAL H 2 22 HIS H . . 3.000 2.778 2.717 2.827 . 0 0 "[ . 1 . 2]" 2
27 2 22 HIS H 2 23 GLN H . . 3.000 2.748 2.733 2.764 . 0 0 "[ . 1 . 2]" 2
28 2 23 GLN H 2 24 PHE H . . 3.000 2.713 2.702 2.745 . 0 0 "[ . 1 . 2]" 2
29 2 24 PHE H 2 25 SER H . . 3.000 2.766 2.756 2.797 . 0 0 "[ . 1 . 2]" 2
30 2 25 SER H 2 26 HIS H . . 3.000 2.667 2.640 2.695 . 0 0 "[ . 1 . 2]" 2
31 2 26 HIS H 2 27 THR H . . 3.000 2.635 2.430 2.656 . 0 0 "[ . 1 . 2]" 2
32 2 27 THR H 2 28 GLN H . . 3.000 2.435 2.424 2.483 . 0 0 "[ . 1 . 2]" 2
33 2 16 HIS H 2 18 GLN H . . 5.000 4.289 4.199 4.443 . 0 0 "[ . 1 . 2]" 2
34 2 17 ASN H 2 19 LEU H . . 5.000 4.060 3.978 4.116 . 0 0 "[ . 1 . 2]" 2
35 2 18 GLN H 2 20 LYS H . . 5.000 4.166 4.096 4.205 . 0 0 "[ . 1 . 2]" 2
36 2 19 LEU H 2 21 VAL H . . 5.000 4.084 4.039 4.140 . 0 0 "[ . 1 . 2]" 2
37 2 20 LYS H 2 22 HIS H . . 5.000 4.279 4.226 4.348 . 0 0 "[ . 1 . 2]" 2
38 2 21 VAL H 2 23 GLN H . . 5.000 4.381 4.315 4.417 . 0 0 "[ . 1 . 2]" 2
39 2 22 HIS H 2 24 PHE H . . 5.000 4.164 4.128 4.180 . 0 0 "[ . 1 . 2]" 2
40 2 23 GLN H 2 25 SER H . . 5.000 4.196 4.167 4.247 . 0 0 "[ . 1 . 2]" 2
41 2 24 PHE H 2 26 HIS H . . 5.000 4.484 4.341 4.506 . 0 0 "[ . 1 . 2]" 2
42 2 25 SER H 2 27 THR H . . 5.000 3.990 3.960 4.082 . 0 0 "[ . 1 . 2]" 2
43 2 26 HIS H 2 28 GLN H . . 5.000 3.874 3.815 3.905 . 0 0 "[ . 1 . 2]" 2
44 2 16 HIS HA 2 18 GLN H . . 5.000 4.033 3.947 4.145 . 0 0 "[ . 1 . 2]" 2
45 2 17 ASN HA 2 19 LEU H . . 5.000 4.474 4.429 4.585 . 0 0 "[ . 1 . 2]" 2
46 2 19 LEU HA 2 21 VAL H . . 5.000 4.446 4.370 4.504 . 0 0 "[ . 1 . 2]" 2
47 2 25 SER HA 2 27 THR H . . 5.000 4.449 4.425 4.481 . 0 0 "[ . 1 . 2]" 2
48 2 16 HIS HA 2 19 LEU H . . 3.500 2.987 2.915 3.098 . 0 0 "[ . 1 . 2]" 2
49 2 17 ASN HA 2 20 LYS H . . 3.500 3.483 3.397 3.553 0.053 18 0 "[ . 1 . 2]" 2
50 2 19 LEU HA 2 22 HIS H . . 3.500 3.352 3.315 3.407 . 0 0 "[ . 1 . 2]" 2
51 2 20 LYS HA 2 23 GLN H . . 3.500 3.474 3.349 3.537 0.037 13 0 "[ . 1 . 2]" 2
52 2 23 GLN HA 2 26 HIS H . . 3.500 3.080 3.030 3.261 . 0 0 "[ . 1 . 2]" 2
53 2 25 SER HA 2 28 GLN H . . 3.500 3.396 3.370 3.546 0.046 17 0 "[ . 1 . 2]" 2
54 2 16 HIS HA 2 20 LYS H . . 5.000 3.799 3.694 3.883 . 0 0 "[ . 1 . 2]" 2
55 2 17 ASN HA 2 21 VAL H . . 5.000 4.061 3.993 4.121 . 0 0 "[ . 1 . 2]" 2
56 2 19 LEU HA 2 23 GLN H . . 5.000 4.162 4.060 4.213 . 0 0 "[ . 1 . 2]" 2
57 2 20 LYS HA 2 24 PHE H . . 5.000 4.179 4.084 4.313 . 0 0 "[ . 1 . 2]" 2
58 2 24 PHE HA 2 28 GLN H . . 5.000 4.063 3.960 4.112 . 0 0 "[ . 1 . 2]" 2
59 2 18 GLN HA 2 21 VAL HB . . 3.300 2.193 2.154 2.232 . 0 0 "[ . 1 . 2]" 2
60 2 19 LEU HA 2 22 HIS HB3 . . 3.300 2.706 2.618 2.824 . 0 0 "[ . 1 . 2]" 2
61 2 19 LEU HA 2 22 HIS HB2 . . 5.000 3.612 3.491 3.738 . 0 0 "[ . 1 . 2]" 2
62 2 20 LYS HA 2 23 GLN QB . . 3.300 2.784 2.605 2.935 . 0 0 "[ . 1 . 2]" 2
63 2 16 HIS O 2 20 LYS H . . 2.000 1.781 1.741 1.816 . 0 0 "[ . 1 . 2]" 2
64 2 16 HIS O 2 20 LYS N . . 3.000 2.793 2.748 2.831 . 0 0 "[ . 1 . 2]" 2
65 2 17 ASN O 2 21 VAL H . . 2.000 2.053 2.019 2.074 0.074 17 0 "[ . 1 . 2]" 2
66 2 17 ASN O 2 21 VAL N . . 3.000 2.983 2.910 3.027 0.027 17 0 "[ . 1 . 2]" 2
67 2 18 GLN O 2 22 HIS H . . 2.000 1.956 1.895 2.012 0.012 3 0 "[ . 1 . 2]" 2
68 2 18 GLN O 2 22 HIS N . . 3.000 2.888 2.830 2.952 . 0 0 "[ . 1 . 2]" 2
69 2 19 LEU O 2 23 GLN H . . 2.000 1.967 1.894 2.005 0.005 2 0 "[ . 1 . 2]" 2
70 2 19 LEU O 2 23 GLN N . . 3.000 2.962 2.891 2.997 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 238
_Distance_constraint_stats_list.Viol_count 743
_Distance_constraint_stats_list.Viol_total 1020.356
_Distance_constraint_stats_list.Viol_max 0.953
_Distance_constraint_stats_list.Viol_rms 0.0499
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0687
_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
2 30 LEU 0.987 0.174 16 0 "[ . 1 . 2]"
2 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 TYR 3.486 0.071 18 0 "[ . 1 . 2]"
2 33 GLU 0.699 0.122 14 0 "[ . 1 . 2]"
2 34 CYS 2.673 0.090 8 0 "[ . 1 . 2]"
2 35 PRO 0.644 0.100 8 0 "[ . 1 . 2]"
2 36 HIS 0.963 0.064 17 0 "[ . 1 . 2]"
2 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 CYS 1.681 0.078 7 0 "[ . 1 . 2]"
2 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 LYS 3.681 0.579 17 1 "[ . 1 . + 2]"
2 42 ARG 1.677 0.174 16 0 "[ . 1 . 2]"
2 43 PHE 12.199 0.384 8 0 "[ . 1 . 2]"
2 44 SER 0.949 0.071 18 0 "[ . 1 . 2]"
2 45 LEU 1.102 0.085 1 0 "[ . 1 . 2]"
2 46 PRO 0.871 0.044 2 0 "[ . 1 . 2]"
2 48 ARG 0.080 0.053 1 0 "[ . 1 . 2]"
2 49 LEU 6.136 0.114 6 0 "[ . 1 . 2]"
2 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 HIS 20.409 0.953 5 10 "[* + *** * * - **]"
2 53 GLU 9.794 0.953 5 9 "[* + *** * * -*]"
2 55 VAL 6.356 0.158 11 0 "[ . 1 . 2]"
2 56 HIS 2.104 0.159 17 0 "[ . 1 . 2]"
2 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 GLY 2.713 0.194 14 0 "[ . 1 . 2]"
2 59 TYR 4.447 0.194 14 0 "[ . 1 . 2]"
2 60 PRO 2.999 0.202 10 0 "[ . 1 . 2]"
2 61 CYS 0.172 0.025 11 0 "[ . 1 . 2]"
2 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 VAL 0.172 0.025 11 0 "[ . 1 . 2]"
2 71 GLY 2.999 0.202 10 0 "[ . 1 . 2]"
2 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 THR 1.580 0.103 15 0 "[ . 1 . 2]"
2 74 TRP 1.090 0.063 9 0 "[ . 1 . 2]"
2 75 THR 1.956 0.119 10 0 "[ . 1 . 2]"
2 76 LEU 1.065 0.071 16 0 "[ . 1 . 2]"
2 77 TYR 0.841 0.063 9 0 "[ . 1 . 2]"
2 78 LEU 2.210 0.119 10 0 "[ . 1 . 2]"
2 79 LYS 0.900 0.071 16 0 "[ . 1 . 2]"
2 80 HIS 0.165 0.021 8 0 "[ . 1 . 2]"
2 81 VAL 0.005 0.005 1 0 "[ . 1 . 2]"
2 82 ALA 0.073 0.073 10 0 "[ . 1 . 2]"
2 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 GLN 0.073 0.073 10 0 "[ . 1 . 2]"
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 2 30 LEU HA 2 31 PRO QD . . 2.700 1.879 1.875 1.886 . 0 0 "[ . 1 . 2]" 3
2 2 30 LEU HA 2 32 TYR H . . 5.000 4.227 4.173 4.261 . 0 0 "[ . 1 . 2]" 3
3 2 30 LEU HA 2 44 SER HA . . 5.000 3.936 3.874 4.012 . 0 0 "[ . 1 . 2]" 3
4 2 30 LEU HB3 2 32 TYR H . . 5.000 3.417 3.361 3.487 . 0 0 "[ . 1 . 2]" 3
5 2 30 LEU HB3 2 42 ARG HB3 . . 5.000 2.626 2.481 2.788 . 0 0 "[ . 1 . 2]" 3
6 2 30 LEU HB3 2 42 ARG HB2 . . 5.000 3.088 2.903 3.250 . 0 0 "[ . 1 . 2]" 3
7 2 30 LEU HB3 2 43 PHE H . . 3.300 3.131 3.110 3.150 . 0 0 "[ . 1 . 2]" 3
8 2 30 LEU HB2 2 42 ARG HB3 . . 3.300 2.588 2.519 2.687 . 0 0 "[ . 1 . 2]" 3
9 2 30 LEU HB2 2 42 ARG HB2 . . 5.000 2.457 2.313 2.580 . 0 0 "[ . 1 . 2]" 3
10 2 30 LEU QD 2 42 ARG H . . 5.000 3.938 3.845 4.102 . 0 0 "[ . 1 . 2]" 3
11 2 30 LEU QD 2 42 ARG HB3 . . 3.300 3.329 3.192 3.474 0.174 16 0 "[ . 1 . 2]" 3
12 2 30 LEU QD 2 42 ARG HB2 . . 3.300 2.463 2.316 2.675 . 0 0 "[ . 1 . 2]" 3
13 2 30 LEU QD 2 43 PHE H . . 5.000 3.534 3.485 3.598 . 0 0 "[ . 1 . 2]" 3
14 2 30 LEU QD 2 43 PHE HA . . 3.300 2.816 2.706 2.913 . 0 0 "[ . 1 . 2]" 3
15 2 30 LEU QD 2 44 SER H . . 3.300 2.983 2.943 3.028 . 0 0 "[ . 1 . 2]" 3
16 2 30 LEU QD 2 31 PRO QD . . 3.300 2.369 2.330 2.412 . 0 0 "[ . 1 . 2]" 3
17 2 30 LEU QD 2 44 SER HA . . 2.700 2.130 2.067 2.153 . 0 0 "[ . 1 . 2]" 3
18 2 31 PRO HB2 2 32 TYR H . . 3.300 3.108 3.095 3.125 . 0 0 "[ . 1 . 2]" 3
19 2 31 PRO HG3 2 32 TYR QD . . 5.000 4.135 4.124 4.142 . 0 0 "[ . 1 . 2]" 3
20 2 31 PRO HG3 2 32 TYR QE . . 5.000 3.706 3.654 3.727 . 0 0 "[ . 1 . 2]" 3
21 2 31 PRO HG2 2 32 TYR H . . 3.300 2.987 2.917 3.017 . 0 0 "[ . 1 . 2]" 3
22 2 31 PRO HG2 2 32 TYR QD . . 2.700 2.427 2.414 2.434 . 0 0 "[ . 1 . 2]" 3
23 2 31 PRO HG2 2 32 TYR QE . . 2.700 2.433 2.365 2.466 . 0 0 "[ . 1 . 2]" 3
24 2 31 PRO HG2 2 44 SER HA . . 5.000 3.804 3.758 3.852 . 0 0 "[ . 1 . 2]" 3
25 2 31 PRO QD 2 32 TYR H . . 3.300 2.424 2.392 2.486 . 0 0 "[ . 1 . 2]" 3
26 2 31 PRO QD 2 32 TYR QD . . 3.300 2.892 2.847 2.917 . 0 0 "[ . 1 . 2]" 3
27 2 31 PRO QD 2 32 TYR QE . . 5.000 4.010 3.976 4.036 . 0 0 "[ . 1 . 2]" 3
28 2 31 PRO QD 2 44 SER HA . . 2.700 2.465 2.449 2.477 . 0 0 "[ . 1 . 2]" 3
29 2 32 TYR H 2 32 TYR QD . . 2.700 2.571 2.508 2.635 . 0 0 "[ . 1 . 2]" 3
30 2 32 TYR HB3 2 43 PHE HB2 . . 5.000 3.342 3.226 3.456 . 0 0 "[ . 1 . 2]" 3
31 2 32 TYR HB3 2 49 LEU HB2 . . 5.000 2.376 2.319 2.483 . 0 0 "[ . 1 . 2]" 3
32 2 32 TYR HB3 2 49 LEU MD2 . . 3.300 2.043 2.029 2.051 . 0 0 "[ . 1 . 2]" 3
33 2 32 TYR HB2 2 43 PHE HB2 . . 3.300 2.371 2.280 2.478 . 0 0 "[ . 1 . 2]" 3
34 2 32 TYR HB2 2 43 PHE HB3 . . 5.000 3.869 3.750 3.995 . 0 0 "[ . 1 . 2]" 3
35 2 32 TYR HB2 2 45 LEU H . . 5.000 3.957 3.829 4.050 . 0 0 "[ . 1 . 2]" 3
36 2 32 TYR HB2 2 49 LEU MD2 . . 3.300 3.334 3.328 3.339 0.039 4 0 "[ . 1 . 2]" 3
37 2 32 TYR QD 2 44 SER HA . . 3.300 3.347 3.319 3.371 0.071 18 0 "[ . 1 . 2]" 3
38 2 32 TYR QD 2 45 LEU HA . . 5.000 3.019 2.927 3.094 . 0 0 "[ . 1 . 2]" 3
39 2 32 TYR QD 2 46 PRO HA . . 5.000 3.006 2.920 3.142 . 0 0 "[ . 1 . 2]" 3
40 2 32 TYR QD 2 49 LEU MD2 . . 2.700 2.752 2.738 2.770 0.070 10 0 "[ . 1 . 2]" 3
41 2 32 TYR QE 2 44 SER HA . . 5.000 4.564 4.534 4.610 . 0 0 "[ . 1 . 2]" 3
42 2 32 TYR QE 2 45 LEU HA . . 2.700 2.501 2.401 2.619 . 0 0 "[ . 1 . 2]" 3
43 2 32 TYR QE 2 45 LEU QD . . 3.300 3.052 3.021 3.079 . 0 0 "[ . 1 . 2]" 3
44 2 32 TYR QE 2 46 PRO HA . . 5.000 3.947 3.789 4.200 . 0 0 "[ . 1 . 2]" 3
45 2 32 TYR QE 2 46 PRO HB2 . . 5.000 4.303 4.226 4.520 . 0 0 "[ . 1 . 2]" 3
46 2 32 TYR QE 2 46 PRO HB3 . . 5.000 2.638 2.549 2.883 . 0 0 "[ . 1 . 2]" 3
47 2 32 TYR QE 2 46 PRO HG2 . . 5.000 4.658 4.625 4.718 . 0 0 "[ . 1 . 2]" 3
48 2 32 TYR QE 2 46 PRO HG3 . . 3.300 3.338 3.335 3.344 0.044 2 0 "[ . 1 . 2]" 3
49 2 32 TYR QE 2 46 PRO HD2 . . 5.000 3.811 3.739 3.874 . 0 0 "[ . 1 . 2]" 3
50 2 32 TYR QE 2 46 PRO HD3 . . 2.700 2.639 2.570 2.730 0.030 5 0 "[ . 1 . 2]" 3
51 2 32 TYR QE 2 49 LEU MD2 . . 5.000 4.708 4.679 4.738 . 0 0 "[ . 1 . 2]" 3
52 2 33 GLU H 2 49 LEU MD2 . . 3.300 3.178 3.050 3.309 0.009 5 0 "[ . 1 . 2]" 3
53 2 33 GLU H 2 49 LEU MD1 . . 5.000 4.394 4.273 4.523 . 0 0 "[ . 1 . 2]" 3
54 2 33 GLU HA 2 42 ARG HB3 . . 3.300 3.087 3.065 3.113 . 0 0 "[ . 1 . 2]" 3
55 2 33 GLU HA 2 42 ARG HB2 . . 5.000 4.431 4.368 4.517 . 0 0 "[ . 1 . 2]" 3
56 2 33 GLU HA 2 42 ARG HG3 . . 5.000 4.156 3.932 4.492 . 0 0 "[ . 1 . 2]" 3
57 2 33 GLU HA 2 42 ARG HG2 . . 3.300 2.615 2.321 2.987 . 0 0 "[ . 1 . 2]" 3
58 2 33 GLU HB2 2 42 ARG HA . . 5.000 4.200 3.949 5.122 0.122 14 0 "[ . 1 . 2]" 3
59 2 33 GLU HB3 2 42 ARG HA . . 5.000 4.231 3.855 5.091 0.091 19 0 "[ . 1 . 2]" 3
60 2 34 CYS H 2 34 CYS HB2 . . 2.700 2.715 2.701 2.726 0.026 10 0 "[ . 1 . 2]" 3
61 2 34 CYS H 2 34 CYS HB3 . . 2.700 2.345 2.312 2.390 . 0 0 "[ . 1 . 2]" 3
62 2 34 CYS H 2 42 ARG HG2 . . 5.000 3.625 3.374 3.980 . 0 0 "[ . 1 . 2]" 3
63 2 34 CYS H 2 43 PHE QD . . 5.000 3.876 3.822 3.979 . 0 0 "[ . 1 . 2]" 3
64 2 34 CYS H 2 43 PHE QE . . 3.300 3.344 3.330 3.364 0.064 12 0 "[ . 1 . 2]" 3
65 2 34 CYS H 2 49 LEU MD1 . . 3.300 3.178 3.133 3.237 . 0 0 "[ . 1 . 2]" 3
66 2 34 CYS HA 2 35 PRO HD2 . . 2.700 2.348 2.327 2.382 . 0 0 "[ . 1 . 2]" 3
67 2 34 CYS HA 2 35 PRO HD3 . . 2.700 2.134 2.101 2.153 . 0 0 "[ . 1 . 2]" 3
68 2 34 CYS HA 2 49 LEU MD1 . . 2.700 2.023 1.987 2.085 . 0 0 "[ . 1 . 2]" 3
69 2 34 CYS HA 2 49 LEU MD2 . . 5.000 3.433 3.321 3.528 . 0 0 "[ . 1 . 2]" 3
70 2 34 CYS HB3 2 41 LYS H . . 3.300 3.026 2.864 3.160 . 0 0 "[ . 1 . 2]" 3
71 2 34 CYS HB3 2 41 LYS HB2 . . 5.000 2.931 2.744 3.137 . 0 0 "[ . 1 . 2]" 3
72 2 34 CYS HB3 2 43 PHE QD . . 5.000 5.074 5.056 5.090 0.090 8 0 "[ . 1 . 2]" 3
73 2 34 CYS HB3 2 49 LEU MD1 . . 5.000 3.754 3.716 3.826 . 0 0 "[ . 1 . 2]" 3
74 2 34 CYS HB3 2 52 HIS HD2 . . 5.000 3.889 3.732 4.036 . 0 0 "[ . 1 . 2]" 3
75 2 34 CYS HB2 2 41 LYS H . . 5.000 4.414 4.240 4.550 . 0 0 "[ . 1 . 2]" 3
76 2 34 CYS HB2 2 41 LYS HB2 . . 5.000 3.307 3.051 3.710 . 0 0 "[ . 1 . 2]" 3
77 2 34 CYS HB2 2 43 PHE QD . . 5.000 4.016 3.944 4.115 . 0 0 "[ . 1 . 2]" 3
78 2 34 CYS HB2 2 49 LEU MD1 . . 3.300 2.536 2.483 2.617 . 0 0 "[ . 1 . 2]" 3
79 2 34 CYS HB2 2 52 HIS HD2 . . 3.300 2.477 2.328 2.612 . 0 0 "[ . 1 . 2]" 3
80 2 35 PRO HA 2 36 HIS H . . 3.300 3.323 3.314 3.332 0.032 15 0 "[ . 1 . 2]" 3
81 2 35 PRO HD2 2 36 HIS H . . 3.300 2.791 2.741 2.856 . 0 0 "[ . 1 . 2]" 3
82 2 35 PRO HD2 2 49 LEU MD1 . . 3.300 3.214 3.098 3.400 0.100 8 0 "[ . 1 . 2]" 3
83 2 35 PRO HD2 2 49 LEU MD2 . . 5.000 4.303 4.123 4.493 . 0 0 "[ . 1 . 2]" 3
84 2 35 PRO HD3 2 49 LEU MD1 . . 3.300 2.972 2.853 3.090 . 0 0 "[ . 1 . 2]" 3
85 2 35 PRO HD3 2 49 LEU MD2 . . 5.000 3.267 3.105 3.450 . 0 0 "[ . 1 . 2]" 3
86 2 36 HIS H 2 39 CYS HB3 . . 3.300 3.318 3.281 3.364 0.064 17 0 "[ . 1 . 2]" 3
87 2 36 HIS H 2 39 CYS HB2 . . 5.000 4.515 4.344 4.680 . 0 0 "[ . 1 . 2]" 3
88 2 36 HIS H 2 56 HIS HD2 . . 5.000 4.920 4.805 5.016 0.016 14 0 "[ . 1 . 2]" 3
89 2 36 HIS HA 2 37 GLU H . . 2.700 2.273 2.241 2.318 . 0 0 "[ . 1 . 2]" 3
90 2 36 HIS QB 2 39 CYS HB3 . . 2.700 2.522 2.365 2.724 0.024 17 0 "[ . 1 . 2]" 3
91 2 36 HIS QB 2 39 CYS HB2 . . 3.300 2.605 2.282 3.042 . 0 0 "[ . 1 . 2]" 3
92 2 36 HIS QB 2 56 HIS HD2 . . 5.000 3.227 3.096 3.509 . 0 0 "[ . 1 . 2]" 3
93 2 36 HIS QB 2 56 HIS HE1 . . 5.000 3.714 3.514 3.939 . 0 0 "[ . 1 . 2]" 3
94 2 37 GLU HA 2 38 GLY H . . 2.700 2.182 2.169 2.203 . 0 0 "[ . 1 . 2]" 3
95 2 37 GLU HA 2 39 CYS H . . 4.000 3.533 3.369 3.698 . 0 0 "[ . 1 . 2]" 3
96 2 38 GLY H 2 39 CYS H . . 2.700 2.481 2.202 2.631 . 0 0 "[ . 1 . 2]" 3
97 2 39 CYS H 2 39 CYS HB2 . . 2.700 2.735 2.702 2.778 0.078 7 0 "[ . 1 . 2]" 3
98 2 39 CYS H 2 39 CYS HB3 . . 2.700 2.725 2.688 2.754 0.054 2 0 "[ . 1 . 2]" 3
99 2 39 CYS HA 2 40 ASP H . . 2.700 2.331 2.289 2.369 . 0 0 "[ . 1 . 2]" 3
100 2 39 CYS HA 2 41 LYS H . . 4.000 3.925 3.833 4.003 0.003 8 0 "[ . 1 . 2]" 3
101 2 39 CYS HB3 2 41 LYS H . . 5.000 3.993 3.861 4.118 . 0 0 "[ . 1 . 2]" 3
102 2 39 CYS HB3 2 56 HIS HE1 . . 5.000 4.332 4.053 4.587 . 0 0 "[ . 1 . 2]" 3
103 2 39 CYS HB2 2 41 LYS H . . 5.000 4.832 4.737 4.974 . 0 0 "[ . 1 . 2]" 3
104 2 39 CYS HB2 2 56 HIS HE1 . . 3.300 2.839 2.549 3.052 . 0 0 "[ . 1 . 2]" 3
105 2 40 ASP H 2 41 LYS H . . 2.700 1.934 1.885 2.008 . 0 0 "[ . 1 . 2]" 3
106 2 41 LYS HB2 2 43 PHE QE . . 5.000 3.073 2.744 3.760 . 0 0 "[ . 1 . 2]" 3
107 2 41 LYS HB2 2 43 PHE HZ . . 5.000 2.899 2.469 3.470 . 0 0 "[ . 1 . 2]" 3
108 2 41 LYS HB3 2 43 PHE QE . . 5.000 3.023 2.374 3.415 . 0 0 "[ . 1 . 2]" 3
109 2 41 LYS HB3 2 43 PHE HZ . . 3.300 2.372 2.190 2.655 . 0 0 "[ . 1 . 2]" 3
110 2 41 LYS QG 2 52 HIS HD1 . . 5.000 3.913 3.221 4.816 . 0 0 "[ . 1 . 2]" 3
111 2 41 LYS QG 2 52 HIS HE1 . . 3.300 3.053 2.505 3.388 0.088 8 0 "[ . 1 . 2]" 3
112 2 41 LYS HD3 2 52 HIS HE1 . . 5.000 4.708 3.283 5.579 0.579 17 1 "[ . 1 . + 2]" 3
113 2 42 ARG H 2 43 PHE QE . . 5.000 4.423 4.341 4.492 . 0 0 "[ . 1 . 2]" 3
114 2 42 ARG HA 2 43 PHE QD . . 5.000 2.976 2.921 3.044 . 0 0 "[ . 1 . 2]" 3
115 2 42 ARG HG2 2 43 PHE H . . 5.000 4.457 4.294 4.666 . 0 0 "[ . 1 . 2]" 3
116 2 43 PHE H 2 43 PHE QD . . 2.700 2.729 2.711 2.752 0.052 16 0 "[ . 1 . 2]" 3
117 2 43 PHE HB2 2 45 LEU H . . 3.300 3.355 3.302 3.385 0.085 1 0 "[ . 1 . 2]" 3
118 2 43 PHE HB2 2 49 LEU H . . 3.300 3.317 3.228 3.343 0.043 7 0 "[ . 1 . 2]" 3
119 2 43 PHE HB3 2 45 LEU H . . 3.300 2.780 2.650 2.914 . 0 0 "[ . 1 . 2]" 3
120 2 43 PHE HB3 2 48 ARG HB2 . . 5.000 2.712 2.113 3.812 . 0 0 "[ . 1 . 2]" 3
121 2 43 PHE HB3 2 48 ARG HB3 . . 3.300 2.498 2.053 2.914 . 0 0 "[ . 1 . 2]" 3
122 2 43 PHE HB3 2 49 LEU HB2 . . 5.000 3.895 3.799 4.063 . 0 0 "[ . 1 . 2]" 3
123 2 43 PHE HB3 2 49 LEU MD1 . . 5.000 5.046 5.023 5.071 0.071 8 0 "[ . 1 . 2]" 3
124 2 43 PHE QD 2 49 LEU HA . . 5.000 2.903 2.787 2.991 . 0 0 "[ . 1 . 2]" 3
125 2 43 PHE QD 2 48 ARG QB . . 3.300 2.785 2.290 3.353 0.053 1 0 "[ . 1 . 2]" 3
126 2 43 PHE QD 2 49 LEU MD1 . . 3.300 2.193 2.143 2.233 . 0 0 "[ . 1 . 2]" 3
127 2 34 CYS HB2 2 43 PHE QE . . 5.000 2.206 2.087 2.354 . 0 0 "[ . 1 . 2]" 3
128 2 43 PHE QE 2 49 LEU MD1 . . 5.000 2.469 2.329 2.528 . 0 0 "[ . 1 . 2]" 3
129 2 43 PHE QE 2 52 HIS HB2 . . 5.000 3.038 2.943 3.233 . 0 0 "[ . 1 . 2]" 3
130 2 43 PHE HZ 2 52 HIS HB3 . . 3.300 3.547 3.410 3.684 0.384 8 0 "[ . 1 . 2]" 3
131 2 43 PHE QE 2 52 HIS HD2 . . 3.300 3.125 3.010 3.256 . 0 0 "[ . 1 . 2]" 3
132 2 43 PHE QE 2 49 LEU HA . . 3.300 3.390 3.337 3.414 0.114 6 0 "[ . 1 . 2]" 3
133 2 44 SER H 2 45 LEU H . . 2.700 2.441 2.410 2.471 . 0 0 "[ . 1 . 2]" 3
134 2 45 LEU H 2 49 LEU H . . 5.000 4.232 4.123 4.367 . 0 0 "[ . 1 . 2]" 3
135 2 45 LEU HA 2 45 LEU QD . . 2.700 1.997 1.960 2.123 . 0 0 "[ . 1 . 2]" 3
136 2 45 LEU HA 2 46 PRO HD2 . . 2.700 2.423 2.318 2.506 . 0 0 "[ . 1 . 2]" 3
137 2 45 LEU HA 2 46 PRO HD3 . . 2.700 2.350 2.302 2.455 . 0 0 "[ . 1 . 2]" 3
138 2 45 LEU QD 2 46 PRO HD2 . . 2.700 1.948 1.891 2.024 . 0 0 "[ . 1 . 2]" 3
139 2 45 LEU QD 2 46 PRO HD3 . . 3.300 2.648 2.539 2.840 . 0 0 "[ . 1 . 2]" 3
140 2 45 LEU H 2 48 ARG QB . . 3.300 2.615 2.401 2.913 . 0 0 "[ . 1 . 2]" 3
141 2 46 PRO HA 2 49 LEU MD2 . . 3.300 3.222 3.051 3.321 0.021 8 0 "[ . 1 . 2]" 3
142 2 49 LEU HA 2 52 HIS HD2 . . 5.000 4.289 4.188 4.404 . 0 0 "[ . 1 . 2]" 3
143 2 49 LEU HB3 2 50 LYS H . . 2.700 2.481 2.460 2.500 . 0 0 "[ . 1 . 2]" 3
144 2 49 LEU MD1 2 52 HIS HD2 . . 2.700 2.751 2.727 2.771 0.071 14 0 "[ . 1 . 2]" 3
145 2 49 LEU MD1 2 50 LYS H . . 5.000 4.292 4.249 4.354 . 0 0 "[ . 1 . 2]" 3
146 2 49 LEU MD1 2 53 GLU H . . 5.000 3.648 3.440 3.838 . 0 0 "[ . 1 . 2]" 3
147 2 49 LEU MD2 2 50 LYS H . . 5.000 4.209 4.146 4.313 . 0 0 "[ . 1 . 2]" 3
148 2 52 HIS HA 2 55 VAL MG1 . . 5.000 4.848 4.707 5.004 0.004 17 0 "[ . 1 . 2]" 3
149 2 52 HIS HA 2 55 VAL MG2 . . 3.300 2.452 2.294 2.600 . 0 0 "[ . 1 . 2]" 3
150 2 52 HIS HD1 2 55 VAL MG1 . . 5.000 4.215 4.126 4.335 . 0 0 "[ . 1 . 2]" 3
151 2 52 HIS HD1 2 55 VAL MG2 . . 5.000 2.872 2.777 2.994 . 0 0 "[ . 1 . 2]" 3
152 2 52 HIS HD2 2 53 GLU HA . . 3.300 3.370 3.345 3.418 0.118 14 0 "[ . 1 . 2]" 3
153 2 52 HIS HD2 2 53 GLU HG2 . . 5.000 4.761 3.615 5.953 0.953 5 9 "[* + *** * * -*]" 3
154 2 52 HIS HD2 2 53 GLU HG3 . . 5.000 4.202 3.615 4.646 . 0 0 "[ . 1 . 2]" 3
155 2 52 HIS HD2 2 56 HIS HD2 . . 5.000 3.521 3.391 3.633 . 0 0 "[ . 1 . 2]" 3
156 2 52 HIS HE1 2 55 VAL MG1 . . 3.300 3.334 3.299 3.364 0.064 8 0 "[ . 1 . 2]" 3
157 2 52 HIS HE1 2 55 VAL MG2 . . 3.300 3.345 3.311 3.367 0.067 5 0 "[ . 1 . 2]" 3
158 2 53 GLU HA 2 56 HIS HD2 . . 2.700 2.605 2.427 2.715 0.015 20 0 "[ . 1 . 2]" 3
159 2 53 GLU QB 2 56 HIS HD2 . . 5.000 4.572 4.285 4.775 . 0 0 "[ . 1 . 2]" 3
160 2 53 GLU HG3 2 56 HIS HD2 . . 5.000 4.422 3.629 5.159 0.159 17 0 "[ . 1 . 2]" 3
161 2 55 VAL HA 2 56 HIS HA . . 5.000 4.765 4.755 4.786 . 0 0 "[ . 1 . 2]" 3
162 2 55 VAL HB 2 56 HIS H . . 3.300 2.635 2.601 2.683 . 0 0 "[ . 1 . 2]" 3
163 2 55 VAL HB 2 57 ALA H . . 5.000 4.906 4.868 4.972 . 0 0 "[ . 1 . 2]" 3
164 2 55 VAL MG1 2 56 HIS HD2 . . 5.000 5.026 5.001 5.053 0.053 1 0 "[ . 1 . 2]" 3
165 2 55 VAL MG2 2 56 HIS HD2 . . 6.000 5.227 5.114 5.318 . 0 0 "[ . 1 . 2]" 3
166 2 55 VAL MG1 2 56 HIS HE1 . . 5.000 4.426 4.337 4.524 . 0 0 "[ . 1 . 2]" 3
167 2 55 VAL MG2 2 56 HIS HE1 . . 6.000 6.047 6.032 6.067 0.067 14 0 "[ . 1 . 2]" 3
168 2 55 VAL H 2 59 TYR HH . . 5.000 3.911 3.761 4.136 . 0 0 "[ . 1 . 2]" 3
169 2 55 VAL HA 2 59 TYR QE . . 5.000 2.049 1.939 2.154 . 0 0 "[ . 1 . 2]" 3
170 2 55 VAL HA 2 59 TYR HH . . 3.300 3.181 2.832 3.458 0.158 11 0 "[ . 1 . 2]" 3
171 2 55 VAL MG1 2 59 TYR QE . . 5.000 3.291 2.996 3.637 . 0 0 "[ . 1 . 2]" 3
172 2 55 VAL MG1 2 59 TYR HH . . 5.000 4.161 3.803 4.487 . 0 0 "[ . 1 . 2]" 3
173 2 55 VAL MG2 2 73 THR HB . . 5.000 4.780 4.684 4.876 . 0 0 "[ . 1 . 2]" 3
174 2 55 VAL MG2 2 73 THR MG . . 2.700 2.779 2.749 2.803 0.103 15 0 "[ . 1 . 2]" 3
175 2 55 VAL MG2 2 59 TYR QE . . 3.300 3.330 3.307 3.357 0.057 5 0 "[ . 1 . 2]" 3
176 2 55 VAL MG2 2 59 TYR HH . . 3.300 2.655 2.376 2.898 . 0 0 "[ . 1 . 2]" 3
177 2 58 GLY HA3 2 59 TYR H . . 2.700 2.654 2.600 2.707 0.007 18 0 "[ . 1 . 2]" 3
178 2 58 GLY HA3 2 59 TYR QE . . 5.000 5.135 5.074 5.194 0.194 14 0 "[ . 1 . 2]" 3
179 2 58 GLY HA3 2 70 VAL MG1 . . 3.300 2.367 2.325 2.410 . 0 0 "[ . 1 . 2]" 3
180 2 58 GLY HA3 2 72 LYS HA . . 5.000 4.105 3.946 4.342 . 0 0 "[ . 1 . 2]" 3
181 2 58 GLY HA3 2 70 VAL MG2 . . 5.000 4.769 4.705 4.843 . 0 0 "[ . 1 . 2]" 3
182 2 59 TYR HA 2 60 PRO QD . . 2.700 2.018 2.012 2.024 . 0 0 "[ . 1 . 2]" 3
183 2 60 PRO HA 2 61 CYS H . . 2.700 2.214 2.199 2.231 . 0 0 "[ . 1 . 2]" 3
184 2 69 PHE HA 2 70 VAL H . . 2.700 2.222 2.195 2.241 . 0 0 "[ . 1 . 2]" 3
185 2 70 VAL HA 2 71 GLY H . . 2.700 2.145 2.134 2.156 . 0 0 "[ . 1 . 2]" 3
186 2 60 PRO HA 2 70 VAL HA . . 2.700 2.055 2.043 2.069 . 0 0 "[ . 1 . 2]" 3
187 2 60 PRO HA 2 71 GLY H . . 3.300 3.450 3.408 3.502 0.202 10 0 "[ . 1 . 2]" 3
188 2 61 CYS H 2 70 VAL HA . . 3.300 3.308 3.294 3.325 0.025 11 0 "[ . 1 . 2]" 3
189 2 59 TYR H 2 71 GLY H . . 3.500 2.751 2.707 2.820 . 0 0 "[ . 1 . 2]" 3
190 2 61 CYS H 2 69 PHE O . . 2.000 1.844 1.819 1.885 . 0 0 "[ . 1 . 2]" 3
191 2 61 CYS N 2 69 PHE O . . 3.000 2.826 2.801 2.865 . 0 0 "[ . 1 . 2]" 3
192 2 59 TYR O 2 71 GLY H . . 2.000 1.884 1.839 1.936 . 0 0 "[ . 1 . 2]" 3
193 2 59 TYR O 2 71 GLY N . . 3.000 2.900 2.852 2.952 . 0 0 "[ . 1 . 2]" 3
194 2 74 TRP H 2 75 THR H . . 3.000 2.889 2.862 2.912 . 0 0 "[ . 1 . 2]" 3
195 2 75 THR H 2 76 LEU H . . 3.000 2.872 2.852 2.892 . 0 0 "[ . 1 . 2]" 3
196 2 76 LEU H 2 77 TYR H . . 3.000 2.805 2.783 2.819 . 0 0 "[ . 1 . 2]" 3
197 2 77 TYR H 2 78 LEU H . . 3.000 2.604 2.575 2.639 . 0 0 "[ . 1 . 2]" 3
198 2 78 LEU H 2 79 LYS H . . 3.000 2.847 2.816 2.864 . 0 0 "[ . 1 . 2]" 3
199 2 79 LYS H 2 80 HIS H . . 3.000 2.706 2.623 2.736 . 0 0 "[ . 1 . 2]" 3
200 2 80 HIS H 2 81 VAL H . . 3.000 2.712 2.699 2.728 . 0 0 "[ . 1 . 2]" 3
201 2 81 VAL H 2 82 ALA H . . 3.000 2.728 2.692 2.756 . 0 0 "[ . 1 . 2]" 3
202 2 82 ALA H 2 83 GLU H . . 3.000 2.711 2.639 2.751 . 0 0 "[ . 1 . 2]" 3
203 2 83 GLU H 2 84 CYS H . . 3.000 2.402 2.382 2.448 . 0 0 "[ . 1 . 2]" 3
204 2 84 CYS H 2 85 HIS H . . 3.000 2.268 2.085 2.479 . 0 0 "[ . 1 . 2]" 3
205 2 85 HIS H 2 86 GLN H . . 3.000 2.188 1.932 2.807 . 0 0 "[ . 1 . 2]" 3
206 2 74 TRP H 2 76 LEU H . . 5.000 4.508 4.464 4.532 . 0 0 "[ . 1 . 2]" 3
207 2 78 LEU H 2 80 HIS H . . 5.000 4.266 4.201 4.303 . 0 0 "[ . 1 . 2]" 3
208 2 82 ALA H 2 84 CYS H . . 5.000 4.244 4.153 4.398 . 0 0 "[ . 1 . 2]" 3
209 2 84 CYS H 2 86 GLN H . . 5.000 3.815 3.520 4.552 . 0 0 "[ . 1 . 2]" 3
210 2 76 LEU HA 2 78 LEU H . . 5.000 4.773 4.751 4.804 . 0 0 "[ . 1 . 2]" 3
211 2 77 TYR HA 2 79 LYS H . . 5.000 4.497 4.453 4.528 . 0 0 "[ . 1 . 2]" 3
212 2 78 LEU HA 2 80 HIS H . . 5.000 4.539 4.503 4.575 . 0 0 "[ . 1 . 2]" 3
213 2 81 VAL HA 2 83 GLU H . . 5.000 4.236 4.159 4.328 . 0 0 "[ . 1 . 2]" 3
214 2 83 GLU HA 2 85 HIS H . . 5.000 4.745 4.596 4.834 . 0 0 "[ . 1 . 2]" 3
215 2 74 TRP HA 2 77 TYR H . . 3.500 3.542 3.517 3.563 0.063 9 0 "[ . 1 . 2]" 3
216 2 75 THR HA 2 78 LEU H . . 3.500 3.598 3.579 3.619 0.119 10 0 "[ . 1 . 2]" 3
217 2 76 LEU HA 2 79 LYS H . . 3.500 3.545 3.521 3.571 0.071 16 0 "[ . 1 . 2]" 3
218 2 77 TYR HA 2 80 HIS H . . 3.500 3.410 3.350 3.441 . 0 0 "[ . 1 . 2]" 3
219 2 78 LEU HA 2 81 VAL H . . 3.500 3.436 3.381 3.505 0.005 1 0 "[ . 1 . 2]" 3
220 2 75 THR HA 2 79 LYS H . . 5.000 3.882 3.839 3.928 . 0 0 "[ . 1 . 2]" 3
221 2 76 LEU HA 2 80 HIS H . . 5.000 3.922 3.864 3.995 . 0 0 "[ . 1 . 2]" 3
222 2 77 TYR HA 2 81 VAL H . . 5.000 4.036 3.988 4.087 . 0 0 "[ . 1 . 2]" 3
223 2 78 LEU HA 2 82 ALA H . . 5.000 4.151 4.029 4.399 . 0 0 "[ . 1 . 2]" 3
224 2 81 VAL HA 2 85 HIS H . . 5.000 3.287 3.241 3.353 . 0 0 "[ . 1 . 2]" 3
225 2 82 ALA HA 2 86 GLN H . . 5.000 4.099 3.731 5.073 0.073 10 0 "[ . 1 . 2]" 3
226 2 74 TRP HA 2 77 TYR QB . . 3.300 2.832 2.752 2.881 . 0 0 "[ . 1 . 2]" 3
227 2 75 THR HA 2 78 LEU HB2 . . 2.700 2.622 2.595 2.675 . 0 0 "[ . 1 . 2]" 3
228 2 75 THR HA 2 78 LEU HB3 . . 5.000 4.208 4.173 4.268 . 0 0 "[ . 1 . 2]" 3
229 2 76 LEU HA 2 79 LYS QB . . 3.300 2.543 2.437 2.665 . 0 0 "[ . 1 . 2]" 3
230 2 77 TYR HA 2 80 HIS HB3 . . 3.300 2.454 2.378 2.501 . 0 0 "[ . 1 . 2]" 3
231 2 78 LEU HA 2 81 VAL HB . . 3.300 2.538 2.445 2.782 . 0 0 "[ . 1 . 2]" 3
232 2 79 LYS HA 2 82 ALA MB . . 3.300 2.785 2.573 2.980 . 0 0 "[ . 1 . 2]" 3
233 2 74 TRP O 2 78 LEU H . . 2.000 1.986 1.951 2.016 0.016 1 0 "[ . 1 . 2]" 3
234 2 74 TRP O 2 78 LEU N . . 3.000 3.005 2.971 3.034 0.034 1 0 "[ . 1 . 2]" 3
235 2 75 THR O 2 79 LYS H . . 2.000 1.794 1.778 1.815 . 0 0 "[ . 1 . 2]" 3
236 2 75 THR O 2 79 LYS N . . 3.000 2.777 2.751 2.798 . 0 0 "[ . 1 . 2]" 3
237 2 76 LEU O 2 80 HIS H . . 2.000 2.006 1.986 2.021 0.021 8 0 "[ . 1 . 2]" 3
238 2 76 LEU O 2 80 HIS N . . 3.000 2.937 2.904 2.968 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 6.037
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0075
_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
2 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 HIS 0.158 0.009 1 0 "[ . 1 . 2]"
2 26 HIS 0.144 0.009 20 0 "[ . 1 . 2]"
3 1 ZN 0.302 0.009 20 0 "[ . 1 . 2]"
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 2 4 CYS SG 3 1 ZN ZN . . 2.350 2.283 2.281 2.286 . 0 0 "[ . 1 . 2]" 4
2 2 4 CYS CB 3 1 ZN ZN . . 3.410 3.206 3.180 3.260 . 0 0 "[ . 1 . 2]" 4
3 2 9 CYS SG 3 1 ZN ZN . . 2.350 2.245 2.242 2.246 . 0 0 "[ . 1 . 2]" 4
4 2 9 CYS CB 3 1 ZN ZN . . 3.410 3.239 3.230 3.252 . 0 0 "[ . 1 . 2]" 4
5 2 22 HIS NE2 3 1 ZN ZN . . 2.050 2.058 2.057 2.059 0.009 1 0 "[ . 1 . 2]" 4
6 2 26 HIS NE2 3 1 ZN ZN . . 2.050 2.057 2.055 2.059 0.009 20 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 24
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 77.571
_Distance_constraint_stats_list.Viol_max 0.119
_Distance_constraint_stats_list.Viol_rms 0.0257
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0554
_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 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 U 0.000 0.000 9 0 "[ . 1 . 2]"
1 21 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 U 2.277 0.119 16 0 "[ . 1 . 2]"
1 25 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 U 0.166 0.027 10 0 "[ . 1 . 2]"
1 28 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 U 1.297 0.068 14 0 "[ . 1 . 2]"
1 32 C 0.138 0.011 14 0 "[ . 1 . 2]"
1 33 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 G 0.138 0.011 14 0 "[ . 1 . 2]"
1 38 U 1.297 0.068 14 0 "[ . 1 . 2]"
1 39 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 A 0.166 0.027 10 0 "[ . 1 . 2]"
1 43 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 U 2.277 0.119 16 0 "[ . 1 . 2]"
1 45 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 A 0.000 0.000 9 0 "[ . 1 . 2]"
1 49 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 C 0.000 0.000 . 0 "[ . 1 . 2]"
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 G C1' 1 55 C C1' . . 10.800 10.738 10.717 10.763 . 0 0 "[ . 1 . 2]" 5
2 1 2 G C1' 1 54 C C1' . . 10.800 10.694 10.685 10.709 . 0 0 "[ . 1 . 2]" 5
3 1 3 G C1' 1 53 C C1' . . 10.800 10.670 10.651 10.692 . 0 0 "[ . 1 . 2]" 5
4 1 4 C C1' 1 52 G C1' . . 10.800 10.576 10.492 10.621 . 0 0 "[ . 1 . 2]" 5
5 1 9 C C1' 1 16 G C1' . . 10.800 10.769 10.726 10.799 . 0 0 "[ . 1 . 2]" 5
6 1 10 C C1' 1 15 G C1' . . 10.800 10.616 10.580 10.664 . 0 0 "[ . 1 . 2]" 5
7 1 17 G C1' 1 51 U C1' . . 12.000 10.842 10.813 10.890 . 0 0 "[ . 1 . 2]" 5
8 1 18 C C1' 1 50 G C1' . . 10.800 10.705 10.652 10.739 . 0 0 "[ . 1 . 2]" 5
9 1 19 C C1' 1 49 G C1' . . 10.800 10.650 10.516 10.692 . 0 0 "[ . 1 . 2]" 5
10 1 20 U C1' 1 48 A C1' . . 10.500 10.461 10.424 10.500 . 9 0 "[ . 1 . 2]" 5
11 1 21 G C1' 1 47 C C1' . . 10.800 10.656 10.621 10.678 . 0 0 "[ . 1 . 2]" 5
12 1 22 G C1' 1 46 C C1' . . 10.800 10.649 10.637 10.666 . 0 0 "[ . 1 . 2]" 5
13 1 23 U C1' 1 45 A C1' . . 10.500 10.309 10.229 10.438 . 0 0 "[ . 1 . 2]" 5
14 1 24 U C1' 1 44 U C1' . . 9.200 8.824 8.803 8.841 . 0 0 "[ . 1 . 2]" 5
15 1 24 U N3 1 44 U N3 . . 3.700 3.814 3.800 3.819 0.119 16 0 "[ . 1 . 2]" 5
16 1 25 A C1' 1 43 A C1' . . 11.200 11.085 11.039 11.132 . 0 0 "[ . 1 . 2]" 5
17 1 27 U C1' 1 42 A C1' . . 9.900 9.887 9.804 9.927 0.027 10 0 "[ . 1 . 2]" 5
18 1 28 A C1' 1 41 G C1' . . 9.700 9.435 9.405 9.492 . 0 0 "[ . 1 . 2]" 5
19 1 29 C C1' 1 40 G C1' . . 10.800 10.738 10.705 10.760 . 0 0 "[ . 1 . 2]" 5
20 1 30 C C1' 1 39 G C1' . . 10.800 10.434 10.402 10.450 . 0 0 "[ . 1 . 2]" 5
21 1 31 U C1' 1 38 U C1' . . 9.200 9.078 9.071 9.087 . 0 0 "[ . 1 . 2]" 5
22 1 31 U N3 1 38 U N3 . . 3.700 3.765 3.763 3.768 0.068 14 0 "[ . 1 . 2]" 5
23 1 32 C C1' 1 37 G C1' . . 10.400 10.407 10.402 10.411 0.011 14 0 "[ . 1 . 2]" 5
24 1 33 U C1' 1 36 G C1' . . 10.100 9.522 9.520 9.523 . 0 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 5.908
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0074
_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
2 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 HIS 0.189 0.016 9 0 "[ . 1 . 2]"
2 56 HIS 0.106 0.010 18 0 "[ . 1 . 2]"
4 1 ZN 0.295 0.016 9 0 "[ . 1 . 2]"
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 2 34 CYS SG 4 1 ZN ZN . . 2.350 2.261 2.257 2.266 . 0 0 "[ . 1 . 2]" 6
2 2 34 CYS CB 4 1 ZN ZN . . 3.410 3.277 3.223 3.366 . 0 0 "[ . 1 . 2]" 6
3 2 39 CYS SG 4 1 ZN ZN . . 2.350 2.267 2.260 2.271 . 0 0 "[ . 1 . 2]" 6
4 2 39 CYS CB 4 1 ZN ZN . . 3.410 3.179 3.072 3.280 . 0 0 "[ . 1 . 2]" 6
5 2 52 HIS NE2 4 1 ZN ZN . . 2.050 2.059 2.053 2.066 0.016 9 0 "[ . 1 . 2]" 6
6 2 56 HIS NE2 4 1 ZN ZN . . 2.050 2.055 2.051 2.060 0.010 18 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 279
_Distance_constraint_stats_list.Viol_count 1137
_Distance_constraint_stats_list.Viol_total 1540.440
_Distance_constraint_stats_list.Viol_max 0.530
_Distance_constraint_stats_list.Viol_rms 0.0431
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0138
_Distance_constraint_stats_list.Viol_average_violations_only 0.0677
_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 5 C 9.278 0.217 8 0 "[ . 1 . 2]"
1 6 A 5.218 0.144 18 0 "[ . 1 . 2]"
1 8 A 5.157 0.130 19 0 "[ . 1 . 2]"
1 9 C 2.063 0.113 10 0 "[ . 1 . 2]"
1 18 C 1.257 0.160 7 0 "[ . 1 . 2]"
1 25 A 3.833 0.173 7 0 "[ . 1 . 2]"
1 26 G 5.992 0.149 9 0 "[ . 1 . 2]"
1 40 G 0.781 0.068 10 0 "[ . 1 . 2]"
1 41 G 2.271 0.132 16 0 "[ . 1 . 2]"
2 2 TYR 4.936 0.149 9 0 "[ . 1 . 2]"
2 14 LYS 3.833 0.173 7 0 "[ . 1 . 2]"
2 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 HIS 4.107 0.132 16 0 "[ . 1 . 2]"
2 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 ARG 1.257 0.160 7 0 "[ . 1 . 2]"
2 55 VAL 5.900 0.217 8 0 "[ . 1 . 2]"
2 59 TYR 5.224 0.130 12 0 "[ . 1 . 2]"
2 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 CYS 4.776 0.205 1 0 "[ . 1 . 2]"
2 62 LYS 1.113 0.071 5 0 "[ . 1 . 2]"
2 63 LYS 5.214 0.205 1 0 "[ . 1 . 2]"
2 64 ASP 1.103 0.071 5 0 "[ . 1 . 2]"
2 65 ASP 0.695 0.063 6 0 "[ . 1 . 2]"
2 66 SER 1.398 0.063 6 0 "[ . 1 . 2]"
2 67 CYS 3.156 0.172 18 0 "[ . 1 . 2]"
2 68 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 PHE 4.362 0.105 15 0 "[ . 1 . 2]"
2 70 VAL 3.566 0.071 18 0 "[ . 1 . 2]"
2 71 GLY 9.550 0.530 16 8 "[ * . *1 **.+- **]"
2 72 LYS 9.550 0.530 16 8 "[ * . *1 **.+- **]"
2 73 THR 2.672 0.070 1 0 "[ . 1 . 2]"
2 74 TRP 14.496 0.151 16 0 "[ . 1 . 2]"
2 75 THR 0.979 0.079 11 0 "[ . 1 . 2]"
2 76 LEU 1.601 0.070 1 0 "[ . 1 . 2]"
2 77 TYR 0.422 0.024 16 0 "[ . 1 . 2]"
2 78 LEU 7.768 0.168 18 0 "[ . 1 . 2]"
2 79 LYS 3.392 0.528 18 1 "[ . 1 . + 2]"
2 80 HIS 1.898 0.050 8 0 "[ . 1 . 2]"
2 81 VAL 0.729 0.041 18 0 "[ . 1 . 2]"
2 82 ALA 0.566 0.528 18 1 "[ . 1 . + 2]"
2 84 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 HIS 4.806 0.188 17 0 "[ . 1 . 2]"
2 86 GLN 0.001 0.001 5 0 "[ . 1 . 2]"
5 1 ZN 3.081 0.172 18 0 "[ . 1 . 2]"
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 2 61 CYS SG 5 1 ZN ZN . . 2.350 2.254 2.251 2.257 . 0 0 "[ . 1 . 2]" 7
2 2 61 CYS CB 5 1 ZN ZN . . 3.410 3.241 3.159 3.301 . 0 0 "[ . 1 . 2]" 7
3 2 67 CYS SG 5 1 ZN ZN . . 2.350 2.269 2.264 2.273 . 0 0 "[ . 1 . 2]" 7
4 2 67 CYS CB 5 1 ZN ZN . . 3.410 3.533 3.489 3.582 0.172 18 0 "[ . 1 . 2]" 7
5 2 80 HIS NE2 5 1 ZN ZN . . 2.050 2.070 2.065 2.073 0.023 16 0 "[ . 1 . 2]" 7
6 2 85 HIS NE2 5 1 ZN ZN . . 2.050 2.061 2.058 2.064 0.014 18 0 "[ . 1 . 2]" 7
7 2 59 TYR H 2 59 TYR QD . . 2.700 2.525 2.433 2.639 . 0 0 "[ . 1 . 2]" 7
8 2 59 TYR H 2 59 TYR QE . . 5.000 4.482 4.368 4.642 . 0 0 "[ . 1 . 2]" 7
9 2 59 TYR H 2 69 PHE QE . . 5.000 5.086 5.068 5.105 0.105 15 0 "[ . 1 . 2]" 7
10 2 59 TYR H 2 70 VAL MG1 . . 3.300 2.518 2.437 2.576 . 0 0 "[ . 1 . 2]" 7
11 2 59 TYR H 2 72 LYS HA . . 5.000 4.345 4.270 4.500 . 0 0 "[ . 1 . 2]" 7
12 2 59 TYR HB3 2 77 TYR QB . . 5.000 2.506 2.310 2.656 . 0 0 "[ . 1 . 2]" 7
13 2 59 TYR HB3 2 77 TYR QD . . 5.000 3.342 3.005 3.514 . 0 0 "[ . 1 . 2]" 7
14 2 59 TYR HB2 2 71 GLY H . . 5.000 3.059 2.908 3.180 . 0 0 "[ . 1 . 2]" 7
15 2 59 TYR HB2 2 77 TYR QB . . 5.000 2.117 2.067 2.167 . 0 0 "[ . 1 . 2]" 7
16 2 59 TYR QD 2 72 LYS HA . . 5.000 4.310 4.129 4.491 . 0 0 "[ . 1 . 2]" 7
17 2 59 TYR QD 2 73 THR H . . 3.300 3.339 3.299 3.363 0.063 16 0 "[ . 1 . 2]" 7
18 2 59 TYR QD 2 74 TRP HA . . 5.000 3.202 3.102 3.294 . 0 0 "[ . 1 . 2]" 7
19 2 59 TYR QE 2 73 THR HA . . 2.700 2.248 2.080 2.438 . 0 0 "[ . 1 . 2]" 7
20 2 59 TYR QE 2 74 TRP H . . 3.300 3.126 2.989 3.248 . 0 0 "[ . 1 . 2]" 7
21 2 59 TYR QE 2 74 TRP HA . . 5.000 3.699 3.497 3.838 . 0 0 "[ . 1 . 2]" 7
22 2 59 TYR QE 2 74 TRP HB2 . . 5.000 2.947 2.651 3.149 . 0 0 "[ . 1 . 2]" 7
23 2 59 TYR HH 2 73 THR HA . . 5.000 4.245 3.739 4.724 . 0 0 "[ . 1 . 2]" 7
24 2 59 TYR HH 2 74 TRP H . . 5.000 3.505 3.099 3.911 . 0 0 "[ . 1 . 2]" 7
25 2 59 TYR HH 2 74 TRP HD1 . . 6.000 6.065 6.043 6.105 0.105 7 0 "[ . 1 . 2]" 7
26 2 60 PRO HA 2 70 VAL MG1 . . 3.300 2.763 2.731 2.795 . 0 0 "[ . 1 . 2]" 7
27 2 60 PRO HA 2 70 VAL MG2 . . 2.700 2.225 2.177 2.280 . 0 0 "[ . 1 . 2]" 7
28 2 60 PRO HB2 2 70 VAL HA . . 5.000 4.661 4.614 4.701 . 0 0 "[ . 1 . 2]" 7
29 2 60 PRO HB2 2 70 VAL MG1 . . 5.000 4.300 4.247 4.356 . 0 0 "[ . 1 . 2]" 7
30 2 60 PRO HB2 2 70 VAL MG2 . . 3.300 3.210 3.160 3.245 . 0 0 "[ . 1 . 2]" 7
31 2 60 PRO HB3 2 70 VAL HA . . 5.000 3.827 3.784 3.856 . 0 0 "[ . 1 . 2]" 7
32 2 60 PRO HB3 2 70 VAL MG1 . . 5.000 2.877 2.814 2.938 . 0 0 "[ . 1 . 2]" 7
33 2 60 PRO HB3 2 70 VAL MG2 . . 5.000 2.239 2.222 2.255 . 0 0 "[ . 1 . 2]" 7
34 2 60 PRO HG3 2 70 VAL MG1 . . 5.000 4.197 4.103 4.281 . 0 0 "[ . 1 . 2]" 7
35 2 60 PRO HG3 2 70 VAL MG2 . . 5.000 4.271 4.238 4.304 . 0 0 "[ . 1 . 2]" 7
36 2 60 PRO QD 2 70 VAL MG1 . . 5.000 2.914 2.830 3.012 . 0 0 "[ . 1 . 2]" 7
37 2 61 CYS H 2 61 CYS QB . . 2.700 2.216 2.201 2.241 . 0 0 "[ . 1 . 2]" 7
38 2 61 CYS H 2 69 PHE HB3 . . 5.000 3.933 3.879 3.974 . 0 0 "[ . 1 . 2]" 7
39 2 61 CYS H 2 69 PHE QD . . 3.300 3.230 3.169 3.295 . 0 0 "[ . 1 . 2]" 7
40 2 61 CYS H 2 69 PHE QE . . 6.000 4.999 4.924 5.073 . 0 0 "[ . 1 . 2]" 7
41 2 61 CYS H 2 70 VAL MG2 . . 3.300 3.353 3.338 3.365 0.065 14 0 "[ . 1 . 2]" 7
42 2 61 CYS HA 2 62 LYS H . . 2.700 2.181 2.167 2.193 . 0 0 "[ . 1 . 2]" 7
43 2 61 CYS HA 2 63 LYS H . . 3.300 3.486 3.465 3.505 0.205 1 0 "[ . 1 . 2]" 7
44 2 61 CYS HA 2 77 TYR QE . . 2.700 2.294 2.110 2.645 . 0 0 "[ . 1 . 2]" 7
45 2 61 CYS HA 2 81 VAL QG . . 5.000 4.113 3.963 4.240 . 0 0 "[ . 1 . 2]" 7
46 2 61 CYS QB 2 69 PHE H . . 5.000 2.947 2.856 3.081 . 0 0 "[ . 1 . 2]" 7
47 2 61 CYS QB 2 69 PHE HB3 . . 3.300 2.438 2.361 2.516 . 0 0 "[ . 1 . 2]" 7
48 2 61 CYS QB 2 64 ASP H . . 5.000 4.483 4.466 4.499 . 0 0 "[ . 1 . 2]" 7
49 2 61 CYS QB 2 69 PHE HD1 . . 3.300 2.408 2.334 2.472 . 0 0 "[ . 1 . 2]" 7
50 2 61 CYS QB 2 80 HIS HD2 . . 5.000 3.662 3.497 3.813 . 0 0 "[ . 1 . 2]" 7
51 2 62 LYS H 2 63 LYS H . . 3.300 1.817 1.773 1.896 . 0 0 "[ . 1 . 2]" 7
52 2 62 LYS H 2 64 ASP H . . 5.000 4.060 3.995 4.137 . 0 0 "[ . 1 . 2]" 7
53 2 62 LYS H 2 77 TYR QD . . 6.000 5.151 4.975 5.319 . 0 0 "[ . 1 . 2]" 7
54 2 62 LYS H 2 77 TYR QE . . 3.300 3.197 2.995 3.310 0.010 13 0 "[ . 1 . 2]" 7
55 2 62 LYS HA 2 64 ASP H . . 3.300 3.355 3.309 3.371 0.071 5 0 "[ . 1 . 2]" 7
56 2 63 LYS H 2 64 ASP H . . 2.700 2.568 2.550 2.590 . 0 0 "[ . 1 . 2]" 7
57 2 63 LYS H 2 77 TYR QE . . 5.000 4.046 3.836 4.220 . 0 0 "[ . 1 . 2]" 7
58 2 63 LYS H 2 85 HIS HD2 . . 5.000 5.026 5.003 5.043 0.043 2 0 "[ . 1 . 2]" 7
59 2 63 LYS H 2 85 HIS HE1 . . 5.000 5.030 5.014 5.038 0.038 2 0 "[ . 1 . 2]" 7
60 2 63 LYS HB3 2 85 HIS HD2 . . 5.000 3.983 3.731 4.074 . 0 0 "[ . 1 . 2]" 7
61 2 63 LYS QG 2 81 VAL QG . . 3.300 2.061 1.933 2.366 . 0 0 "[ . 1 . 2]" 7
62 2 63 LYS QG 2 85 HIS HD2 . . 3.300 2.786 2.670 2.976 . 0 0 "[ . 1 . 2]" 7
63 2 63 LYS QG 2 81 VAL HA . . 5.000 3.476 3.296 3.802 . 0 0 "[ . 1 . 2]" 7
64 2 63 LYS QD 2 81 VAL HA . . 5.000 4.942 4.551 5.039 0.039 6 0 "[ . 1 . 2]" 7
65 2 63 LYS QD 2 81 VAL QG . . 3.300 2.707 2.290 2.945 . 0 0 "[ . 1 . 2]" 7
66 2 63 LYS QE 2 81 VAL QG . . 3.300 2.097 1.844 2.953 . 0 0 "[ . 1 . 2]" 7
67 2 64 ASP H 2 65 ASP HA . . 5.000 4.776 4.685 4.803 . 0 0 "[ . 1 . 2]" 7
68 2 64 ASP H 2 67 CYS H . . 5.000 4.336 4.296 4.379 . 0 0 "[ . 1 . 2]" 7
69 2 64 ASP H 2 67 CYS QB . . 3.300 2.960 2.917 2.977 . 0 0 "[ . 1 . 2]" 7
70 2 64 ASP H 2 85 HIS HE1 . . 5.000 3.926 3.722 4.046 . 0 0 "[ . 1 . 2]" 7
71 2 64 ASP HA 2 65 ASP H . . 2.700 2.250 2.232 2.267 . 0 0 "[ . 1 . 2]" 7
72 2 64 ASP QB 2 66 SER H . . 5.000 3.326 3.230 3.390 . 0 0 "[ . 1 . 2]" 7
73 2 64 ASP QB 2 67 CYS H . . 5.000 3.397 3.288 3.467 . 0 0 "[ . 1 . 2]" 7
74 2 64 ASP QB 2 67 CYS QB . . 3.300 2.222 2.155 2.295 . 0 0 "[ . 1 . 2]" 7
75 2 64 ASP QB 2 85 HIS HE1 . . 2.700 2.351 2.248 2.443 . 0 0 "[ . 1 . 2]" 7
76 2 65 ASP H 2 66 SER H . . 2.700 2.733 2.674 2.763 0.063 6 0 "[ . 1 . 2]" 7
77 2 65 ASP HA 2 67 CYS H . . 5.000 3.687 3.564 3.769 . 0 0 "[ . 1 . 2]" 7
78 2 66 SER H 2 67 CYS H . . 2.700 2.735 2.710 2.756 0.056 13 0 "[ . 1 . 2]" 7
79 2 66 SER H 2 67 CYS QB . . 5.000 4.038 3.946 4.125 . 0 0 "[ . 1 . 2]" 7
80 2 67 CYS H 2 67 CYS QB . . 2.700 2.432 2.366 2.467 . 0 0 "[ . 1 . 2]" 7
81 2 67 CYS HA 2 68 SER H . . 2.700 2.304 2.198 2.444 . 0 0 "[ . 1 . 2]" 7
82 2 67 CYS QB 2 85 HIS HE1 . . 3.300 2.715 2.505 2.941 . 0 0 "[ . 1 . 2]" 7
83 2 68 SER H 2 69 PHE H . . 2.700 2.019 1.742 2.275 . 0 0 "[ . 1 . 2]" 7
84 2 69 PHE H 2 69 PHE HB2 . . 2.700 2.728 2.709 2.739 0.039 19 0 "[ . 1 . 2]" 7
85 2 69 PHE H 2 69 PHE HB3 . . 2.700 2.273 2.253 2.299 . 0 0 "[ . 1 . 2]" 7
86 2 69 PHE HB2 2 80 HIS HE1 . . 3.300 3.144 2.992 3.304 0.004 14 0 "[ . 1 . 2]" 7
87 2 69 PHE HB3 2 80 HIS HD2 . . 5.000 4.229 4.014 4.368 . 0 0 "[ . 1 . 2]" 7
88 2 69 PHE HB3 2 80 HIS HE1 . . 5.000 3.371 3.163 3.556 . 0 0 "[ . 1 . 2]" 7
89 2 69 PHE QD 2 70 VAL H . . 3.300 3.359 3.352 3.371 0.071 18 0 "[ . 1 . 2]" 7
90 2 69 PHE QD 2 71 GLY H . . 5.000 3.689 3.620 3.742 . 0 0 "[ . 1 . 2]" 7
91 2 69 PHE QE 2 70 VAL H . . 5.000 4.266 4.234 4.313 . 0 0 "[ . 1 . 2]" 7
92 2 69 PHE QE 2 71 GLY H . . 3.300 2.688 2.640 2.723 . 0 0 "[ . 1 . 2]" 7
93 2 69 PHE QE 2 71 GLY HA3 . . 3.300 2.686 2.627 2.747 . 0 0 "[ . 1 . 2]" 7
94 2 69 PHE QE 2 77 TYR HA . . 2.700 2.063 2.018 2.099 . 0 0 "[ . 1 . 2]" 7
95 2 69 PHE QE 2 77 TYR QD . . 5.000 2.915 2.789 3.086 . 0 0 "[ . 1 . 2]" 7
96 2 69 PHE QE 2 80 HIS HB3 . . 3.300 3.327 3.305 3.350 0.050 8 0 "[ . 1 . 2]" 7
97 2 69 PHE QE 2 80 HIS HB2 . . 5.000 3.509 3.460 3.548 . 0 0 "[ . 1 . 2]" 7
98 2 69 PHE HZ 2 71 GLY HA3 . . 3.300 2.802 2.650 2.914 . 0 0 "[ . 1 . 2]" 7
99 2 69 PHE HZ 2 76 LEU QB . . 3.300 2.524 2.382 2.684 . 0 0 "[ . 1 . 2]" 7
100 2 69 PHE HZ 2 77 TYR HA . . 3.300 3.318 3.310 3.324 0.024 16 0 "[ . 1 . 2]" 7
101 2 69 PHE HZ 2 80 HIS HB3 . . 5.000 3.887 3.817 3.962 . 0 0 "[ . 1 . 2]" 7
102 2 69 PHE HZ 2 80 HIS HB2 . . 5.000 3.425 3.311 3.533 . 0 0 "[ . 1 . 2]" 7
103 2 70 VAL H 2 70 VAL HB . . 2.700 2.766 2.758 2.770 0.070 2 0 "[ . 1 . 2]" 7
104 2 70 VAL H 2 70 VAL MG2 . . 3.300 2.910 2.893 2.931 . 0 0 "[ . 1 . 2]" 7
105 2 70 VAL MG1 2 71 GLY H . . 3.300 2.877 2.845 2.920 . 0 0 "[ . 1 . 2]" 7
106 2 70 VAL MG2 2 71 GLY H . . 5.000 4.120 4.102 4.140 . 0 0 "[ . 1 . 2]" 7
107 2 71 GLY H 2 71 GLY HA3 . . 2.700 2.360 2.350 2.373 . 0 0 "[ . 1 . 2]" 7
108 2 71 GLY H 2 77 TYR QB . . 5.000 3.254 3.173 3.390 . 0 0 "[ . 1 . 2]" 7
109 2 71 GLY H 2 77 TYR QD . . 5.000 4.348 4.205 4.610 . 0 0 "[ . 1 . 2]" 7
110 2 71 GLY HA3 2 72 LYS H . . 2.700 3.177 3.120 3.230 0.530 16 8 "[ * . *1 **.+- **]" 7
111 2 71 GLY HA3 2 73 THR H . . 3.300 3.189 3.168 3.210 . 0 0 "[ . 1 . 2]" 7
112 2 71 GLY HA3 2 77 TYR QB . . 5.000 2.962 2.791 3.142 . 0 0 "[ . 1 . 2]" 7
113 2 72 LYS H 2 73 THR H . . 3.300 2.711 2.658 2.785 . 0 0 "[ . 1 . 2]" 7
114 2 72 LYS H 2 76 LEU MD1 . . 3.300 2.293 2.189 2.436 . 0 0 "[ . 1 . 2]" 7
115 2 73 THR H 2 73 THR HG1 . . 3.300 3.297 3.130 3.328 0.028 1 0 "[ . 1 . 2]" 7
116 2 73 THR H 2 76 LEU H . . 5.000 3.705 3.638 3.736 . 0 0 "[ . 1 . 2]" 7
117 2 73 THR H 2 76 LEU QB . . 2.700 2.416 2.330 2.436 . 0 0 "[ . 1 . 2]" 7
118 2 73 THR H 2 76 LEU HG . . 3.300 3.352 3.326 3.370 0.070 1 0 "[ . 1 . 2]" 7
119 2 73 THR H 2 76 LEU MD1 . . 3.300 2.382 2.251 2.750 . 0 0 "[ . 1 . 2]" 7
120 2 73 THR H 2 77 TYR H . . 5.000 4.180 4.051 4.307 . 0 0 "[ . 1 . 2]" 7
121 2 73 THR HA 2 74 TRP H . . 2.700 2.371 2.352 2.393 . 0 0 "[ . 1 . 2]" 7
122 2 73 THR HB 2 74 TRP H . . 3.300 2.596 2.556 2.630 . 0 0 "[ . 1 . 2]" 7
123 2 73 THR HB 2 75 THR H . . 5.000 2.653 2.563 2.696 . 0 0 "[ . 1 . 2]" 7
124 2 73 THR HB 2 75 THR MG . . 5.000 4.096 4.007 4.172 . 0 0 "[ . 1 . 2]" 7
125 2 73 THR HB 2 76 LEU H . . 5.000 3.335 3.181 3.420 . 0 0 "[ . 1 . 2]" 7
126 2 73 THR HG1 2 75 THR MG . . 5.000 4.554 4.508 4.689 . 0 0 "[ . 1 . 2]" 7
127 2 73 THR HG1 2 76 LEU H . . 2.700 2.728 2.711 2.749 0.049 12 0 "[ . 1 . 2]" 7
128 2 73 THR HG1 2 76 LEU HG . . 3.300 1.902 1.849 1.974 . 0 0 "[ . 1 . 2]" 7
129 2 73 THR HG1 2 76 LEU MD1 . . 3.300 2.918 2.796 3.233 . 0 0 "[ . 1 . 2]" 7
130 2 73 THR HG1 2 76 LEU MD2 . . 5.000 3.452 3.410 3.519 . 0 0 "[ . 1 . 2]" 7
131 2 74 TRP HA 2 74 TRP HE3 . . 2.700 2.491 2.425 2.612 . 0 0 "[ . 1 . 2]" 7
132 2 74 TRP HA 2 77 TYR QD . . 5.000 3.727 3.588 3.840 . 0 0 "[ . 1 . 2]" 7
133 2 74 TRP HB3 2 74 TRP HD1 . . 2.700 2.405 2.385 2.426 . 0 0 "[ . 1 . 2]" 7
134 2 74 TRP HB3 2 75 THR H . . 2.700 2.678 2.636 2.706 0.006 12 0 "[ . 1 . 2]" 7
135 2 74 TRP HD1 2 75 THR MG . . 5.000 3.933 3.878 3.982 . 0 0 "[ . 1 . 2]" 7
136 2 74 TRP HD1 2 78 LEU MD1 . . 3.300 3.375 3.366 3.388 0.088 11 0 "[ . 1 . 2]" 7
137 2 74 TRP HD1 2 78 LEU MD2 . . 6.000 5.472 5.455 5.497 . 0 0 "[ . 1 . 2]" 7
138 2 74 TRP HE1 2 78 LEU MD1 . . 3.300 2.346 2.303 2.375 . 0 0 "[ . 1 . 2]" 7
139 2 74 TRP HE1 2 78 LEU MD2 . . 6.000 4.053 3.989 4.081 . 0 0 "[ . 1 . 2]" 7
140 2 74 TRP HZ2 2 78 LEU MD1 . . 5.000 2.986 2.911 3.067 . 0 0 "[ . 1 . 2]" 7
141 2 74 TRP HZ2 2 78 LEU MD2 . . 3.300 3.042 2.893 3.140 . 0 0 "[ . 1 . 2]" 7
142 2 74 TRP HH2 2 78 LEU MD1 . . 5.000 4.416 4.381 4.440 . 0 0 "[ . 1 . 2]" 7
143 2 74 TRP HH2 2 78 LEU MD2 . . 3.300 3.281 3.196 3.315 0.015 10 0 "[ . 1 . 2]" 7
144 2 74 TRP HZ3 2 78 LEU MD1 . . 5.000 5.040 5.020 5.056 0.056 8 0 "[ . 1 . 2]" 7
145 2 74 TRP HZ3 2 78 LEU MD2 . . 5.000 3.847 3.790 3.930 . 0 0 "[ . 1 . 2]" 7
146 2 75 THR HA 2 78 LEU HG . . 5.000 3.862 3.802 3.927 . 0 0 "[ . 1 . 2]" 7
147 2 75 THR HA 2 78 LEU MD1 . . 3.300 2.907 2.803 3.007 . 0 0 "[ . 1 . 2]" 7
148 2 75 THR MG 2 78 LEU MD1 . . 5.000 3.696 3.623 3.763 . 0 0 "[ . 1 . 2]" 7
149 2 76 LEU H 2 76 LEU HG . . 2.700 2.209 2.160 2.381 . 0 0 "[ . 1 . 2]" 7
150 2 76 LEU HA 2 76 LEU MD2 . . 2.700 2.125 2.102 2.137 . 0 0 "[ . 1 . 2]" 7
151 2 77 TYR H 2 77 TYR QD . . 5.000 4.085 4.013 4.144 . 0 0 "[ . 1 . 2]" 7
152 2 77 TYR HA 2 77 TYR QD . . 2.700 2.620 2.470 2.718 0.018 12 0 "[ . 1 . 2]" 7
153 2 77 TYR QD 2 78 LEU H . . 5.000 3.101 2.901 3.438 . 0 0 "[ . 1 . 2]" 7
154 2 77 TYR QD 2 78 LEU HA . . 5.000 3.816 3.679 4.173 . 0 0 "[ . 1 . 2]" 7
155 2 77 TYR QD 2 78 LEU HG . . 5.000 2.864 2.624 3.292 . 0 0 "[ . 1 . 2]" 7
156 2 77 TYR QD 2 78 LEU MD1 . . 5.000 4.329 4.158 4.606 . 0 0 "[ . 1 . 2]" 7
157 2 77 TYR QD 2 78 LEU MD2 . . 3.300 2.950 2.812 3.262 . 0 0 "[ . 1 . 2]" 7
158 2 77 TYR QE 2 78 LEU MD2 . . 3.300 2.862 2.531 3.313 0.013 18 0 "[ . 1 . 2]" 7
159 2 77 TYR QE 2 81 VAL QG . . 2.700 2.444 2.425 2.455 . 0 0 "[ . 1 . 2]" 7
160 2 78 LEU H 2 78 LEU HB2 . . 2.700 2.391 2.372 2.406 . 0 0 "[ . 1 . 2]" 7
161 2 78 LEU H 2 78 LEU HG . . 2.700 2.406 2.360 2.446 . 0 0 "[ . 1 . 2]" 7
162 2 78 LEU HA 2 78 LEU MD2 . . 2.700 2.101 2.064 2.168 . 0 0 "[ . 1 . 2]" 7
163 2 78 LEU HA 2 81 VAL QG . . 3.300 3.048 3.035 3.071 . 0 0 "[ . 1 . 2]" 7
164 2 78 LEU HB2 2 79 LYS H . . 2.700 2.633 2.585 2.681 . 0 0 "[ . 1 . 2]" 7
165 2 78 LEU HB3 2 79 LYS H . . 3.300 3.441 3.432 3.468 0.168 18 0 "[ . 1 . 2]" 7
166 2 78 LEU MD2 2 81 VAL HB . . 5.000 3.670 3.519 3.924 . 0 0 "[ . 1 . 2]" 7
167 2 79 LYS HG2 2 82 ALA MB . . 5.000 4.484 4.007 5.528 0.528 18 1 "[ . 1 . + 2]" 7
168 2 80 HIS H 2 80 HIS HB3 . . 2.700 2.328 2.306 2.348 . 0 0 "[ . 1 . 2]" 7
169 2 80 HIS H 2 80 HIS HB2 . . 2.700 2.725 2.705 2.740 0.040 5 0 "[ . 1 . 2]" 7
170 2 80 HIS H 2 80 HIS HD2 . . 5.000 4.676 4.637 4.705 . 0 0 "[ . 1 . 2]" 7
171 2 80 HIS HA 2 80 HIS HB2 . . 2.700 2.383 2.370 2.396 . 0 0 "[ . 1 . 2]" 7
172 2 80 HIS HB3 2 80 HIS HD2 . . 2.700 2.672 2.645 2.700 0.000 3 0 "[ . 1 . 2]" 7
173 2 80 HIS HB3 2 81 VAL H . . 2.700 2.716 2.693 2.741 0.041 18 0 "[ . 1 . 2]" 7
174 2 80 HIS HD1 2 84 CYS QB . . 5.000 3.883 3.302 4.221 . 0 0 "[ . 1 . 2]" 7
175 2 80 HIS HD2 2 81 VAL H . . 3.300 3.264 3.195 3.317 0.017 10 0 "[ . 1 . 2]" 7
176 2 80 HIS HD2 2 81 VAL HA . . 5.000 3.160 3.096 3.245 . 0 0 "[ . 1 . 2]" 7
177 2 80 HIS HD2 2 81 VAL QG . . 3.300 2.588 2.465 2.664 . 0 0 "[ . 1 . 2]" 7
178 2 80 HIS HD2 2 85 HIS HD2 . . 3.300 3.285 3.177 3.311 0.011 12 0 "[ . 1 . 2]" 7
179 2 81 VAL H 2 81 VAL QG . . 2.700 2.409 2.369 2.423 . 0 0 "[ . 1 . 2]" 7
180 2 81 VAL HA 2 85 HIS HB3 . . 5.000 4.657 4.612 4.684 . 0 0 "[ . 1 . 2]" 7
181 2 81 VAL HA 2 85 HIS HB2 . . 3.300 2.978 2.934 3.001 . 0 0 "[ . 1 . 2]" 7
182 2 81 VAL HA 2 85 HIS HD2 . . 2.700 1.951 1.914 1.981 . 0 0 "[ . 1 . 2]" 7
183 2 81 VAL HB 2 82 ALA H . . 2.700 2.668 2.652 2.696 . 0 0 "[ . 1 . 2]" 7
184 2 81 VAL QG 2 85 HIS HD2 . . 2.700 2.452 2.441 2.462 . 0 0 "[ . 1 . 2]" 7
185 2 81 VAL QG 2 82 ALA HA . . 3.300 3.004 2.992 3.018 . 0 0 "[ . 1 . 2]" 7
186 2 81 VAL QG 2 85 HIS HB3 . . 5.000 3.616 3.538 3.702 . 0 0 "[ . 1 . 2]" 7
187 2 81 VAL QG 2 85 HIS HB2 . . 3.300 2.447 2.343 2.527 . 0 0 "[ . 1 . 2]" 7
188 2 82 ALA H 2 85 HIS HD2 . . 6.000 5.501 5.450 5.540 . 0 0 "[ . 1 . 2]" 7
189 2 82 ALA HA 2 86 GLN QG . . 5.000 3.487 2.682 5.001 0.001 5 0 "[ . 1 . 2]" 7
190 2 84 CYS H 2 85 HIS HD2 . . 5.000 4.182 4.091 4.320 . 0 0 "[ . 1 . 2]" 7
191 2 84 CYS QB 2 85 HIS HD2 . . 3.300 2.920 2.827 2.964 . 0 0 "[ . 1 . 2]" 7
192 2 85 HIS H 2 85 HIS HD2 . . 3.300 3.468 3.437 3.488 0.188 17 0 "[ . 1 . 2]" 7
193 1 26 G H8 2 2 TYR QD . . 3.300 2.967 2.784 3.211 . 0 0 "[ . 1 . 2]" 7
194 1 26 G H2' 2 2 TYR QD . . 3.300 3.344 3.315 3.375 0.075 20 0 "[ . 1 . 2]" 7
195 1 26 G H3' 2 2 TYR QD . . 5.000 5.074 5.054 5.091 0.091 2 0 "[ . 1 . 2]" 7
196 1 26 G H8 2 2 TYR QE . . 2.700 2.677 2.591 2.725 0.025 20 0 "[ . 1 . 2]" 7
197 1 26 G H1' 2 2 TYR QE . . 5.000 4.831 4.767 4.864 . 0 0 "[ . 1 . 2]" 7
198 1 26 G H2' 2 2 TYR QE . . 2.700 2.015 1.954 2.058 . 0 0 "[ . 1 . 2]" 7
199 1 26 G H3' 2 2 TYR QE . . 3.300 3.425 3.392 3.449 0.149 9 0 "[ . 1 . 2]" 7
200 1 25 A H2 2 14 LYS QG . . 5.000 5.088 5.005 5.173 0.173 7 0 "[ . 1 . 2]" 7
201 1 25 A H2 2 14 LYS QD . . 5.000 5.055 5.005 5.092 0.092 16 0 "[ . 1 . 2]" 7
202 1 25 A H2 2 14 LYS QE . . 5.000 4.841 3.722 5.095 0.095 17 0 "[ . 1 . 2]" 7
203 1 25 A H1' 2 14 LYS QE . . 5.000 4.269 3.947 5.089 0.089 16 0 "[ . 1 . 2]" 7
204 1 26 G H8 2 15 LYS HA . . 3.300 2.726 2.402 2.903 . 0 0 "[ . 1 . 2]" 7
205 1 25 A H2 2 15 LYS QG . . 5.000 3.528 2.977 4.466 . 0 0 "[ . 1 . 2]" 7
206 1 25 A H2 2 15 LYS QD . . 3.300 2.512 2.090 2.956 . 0 0 "[ . 1 . 2]" 7
207 1 25 A H1' 2 15 LYS QD . . 5.000 4.313 4.245 4.402 . 0 0 "[ . 1 . 2]" 7
208 1 26 G H8 2 15 LYS QD . . 5.000 3.646 2.971 4.513 . 0 0 "[ . 1 . 2]" 7
209 1 25 A H2 2 15 LYS QE . . 3.300 2.792 2.467 3.009 . 0 0 "[ . 1 . 2]" 7
210 1 25 A H1' 2 15 LYS QE . . 2.700 2.461 2.425 2.505 . 0 0 "[ . 1 . 2]" 7
211 1 26 G H8 2 15 LYS QE . . 5.000 4.333 3.911 4.564 . 0 0 "[ . 1 . 2]" 7
212 1 26 G H1' 2 15 LYS QE . . 5.000 3.429 2.872 3.755 . 0 0 "[ . 1 . 2]" 7
213 1 26 G H8 2 16 HIS H . . 2.700 2.693 2.462 2.761 0.061 15 0 "[ . 1 . 2]" 7
214 1 26 G H8 2 16 HIS HA . . 5.000 5.002 4.908 5.059 0.059 5 0 "[ . 1 . 2]" 7
215 1 26 G H8 2 16 HIS HD2 . . 3.300 3.311 3.235 3.345 0.045 12 0 "[ . 1 . 2]" 7
216 1 26 G H2' 2 16 HIS HD2 . . 5.000 4.901 4.697 5.014 0.014 20 0 "[ . 1 . 2]" 7
217 1 41 G H1 2 16 HIS HD2 . . 6.000 5.545 5.386 5.685 . 0 0 "[ . 1 . 2]" 7
218 1 26 G H1 2 16 HIS HE1 . . 5.000 4.753 4.639 4.956 . 0 0 "[ . 1 . 2]" 7
219 1 40 G H8 2 16 HIS HE1 . . 5.000 4.324 4.128 4.486 . 0 0 "[ . 1 . 2]" 7
220 1 40 G H2' 2 16 HIS HE1 . . 5.000 4.721 4.614 4.779 . 0 0 "[ . 1 . 2]" 7
221 1 40 G H3' 2 16 HIS HE1 . . 2.700 2.733 2.576 2.768 0.068 10 0 "[ . 1 . 2]" 7
222 1 41 G H8 2 16 HIS HE1 . . 2.700 2.814 2.790 2.832 0.132 16 0 "[ . 1 . 2]" 7
223 1 41 G H3' 2 16 HIS HE1 . . 5.000 4.453 4.385 4.580 . 0 0 "[ . 1 . 2]" 7
224 1 26 G H1 2 17 ASN QD . . 3.300 2.993 2.970 3.009 . 0 0 "[ . 1 . 2]" 7
225 1 18 C H1' 2 51 ARG QD . . 5.000 5.039 4.648 5.160 0.160 7 0 "[ . 1 . 2]" 7
226 1 5 C H1' 2 55 VAL MG1 . . 5.000 5.195 5.164 5.217 0.217 8 0 "[ . 1 . 2]" 7
227 1 5 C HO2' 2 55 VAL MG1 . . 5.000 3.895 3.278 4.451 . 0 0 "[ . 1 . 2]" 7
228 1 5 C H6 2 55 VAL MG1 . . 5.000 3.746 3.674 3.803 . 0 0 "[ . 1 . 2]" 7
229 1 5 C H5 2 55 VAL MG1 . . 5.000 4.524 4.358 4.589 . 0 0 "[ . 1 . 2]" 7
230 1 5 C H1' 2 55 VAL MG2 . . 5.000 4.208 4.156 4.289 . 0 0 "[ . 1 . 2]" 7
231 1 5 C HO2' 2 55 VAL MG2 . . 3.300 2.611 2.102 3.080 . 0 0 "[ . 1 . 2]" 7
232 1 5 C H6 2 55 VAL MG2 . . 3.300 3.391 3.370 3.414 0.114 10 0 "[ . 1 . 2]" 7
233 1 5 C H5 2 55 VAL MG2 . . 5.000 4.998 4.922 5.036 0.036 6 0 "[ . 1 . 2]" 7
234 1 5 C H1' 2 59 TYR HH . . 5.000 4.493 4.392 4.583 . 0 0 "[ . 1 . 2]" 7
235 1 5 C HO2' 2 59 TYR HH . . 3.300 2.001 1.913 2.110 . 0 0 "[ . 1 . 2]" 7
236 1 5 C H6 2 59 TYR HH . . 6.000 6.033 5.833 6.130 0.130 12 0 "[ . 1 . 2]" 7
237 1 6 A H8 2 59 TYR HH . . 5.000 4.917 4.679 5.067 0.067 6 0 "[ . 1 . 2]" 7
238 1 5 C H1' 2 73 THR MG . . 5.000 3.936 3.892 3.992 . 0 0 "[ . 1 . 2]" 7
239 1 5 C H6 2 73 THR MG . . 5.000 3.005 2.919 3.175 . 0 0 "[ . 1 . 2]" 7
240 1 5 C H5 2 73 THR MG . . 3.300 2.937 2.812 3.058 . 0 0 "[ . 1 . 2]" 7
241 1 5 C HO2' 2 74 TRP H . . 3.300 2.449 2.317 2.588 . 0 0 "[ . 1 . 2]" 7
242 1 5 C H1' 2 74 TRP HD1 . . 3.300 3.417 3.381 3.451 0.151 16 0 "[ . 1 . 2]" 7
243 1 6 A H1' 2 74 TRP HD1 . . 5.000 4.189 4.136 4.243 . 0 0 "[ . 1 . 2]" 7
244 1 6 A H4' 2 74 TRP HD1 . . 5.000 3.774 3.646 3.855 . 0 0 "[ . 1 . 2]" 7
245 1 6 A H8 2 74 TRP HD1 . . 3.300 3.426 3.406 3.444 0.144 18 0 "[ . 1 . 2]" 7
246 1 8 A H2 2 74 TRP HD1 . . 2.700 2.551 2.498 2.581 . 0 0 "[ . 1 . 2]" 7
247 1 8 A H1' 2 74 TRP HD1 . . 5.000 5.113 5.093 5.130 0.130 19 0 "[ . 1 . 2]" 7
248 1 8 A H2 2 74 TRP HE1 . . 5.000 3.970 3.946 4.002 . 0 0 "[ . 1 . 2]" 7
249 1 8 A O2' 2 74 TRP HE1 . . 2.000 2.030 2.021 2.036 0.036 8 0 "[ . 1 . 2]" 7
250 1 8 A O2' 2 74 TRP NE1 . . 3.000 3.026 3.015 3.037 0.037 11 0 "[ . 1 . 2]" 7
251 1 6 A H1' 2 74 TRP HE1 . . 2.700 2.515 2.479 2.582 . 0 0 "[ . 1 . 2]" 7
252 1 8 A H1' 2 74 TRP HE1 . . 5.000 3.941 3.922 3.969 . 0 0 "[ . 1 . 2]" 7
253 1 6 A H4' 2 74 TRP HE1 . . 5.000 4.190 4.091 4.339 . 0 0 "[ . 1 . 2]" 7
254 1 6 A H8 2 74 TRP HE1 . . 5.000 3.859 3.797 3.919 . 0 0 "[ . 1 . 2]" 7
255 1 8 A H8 2 74 TRP HE1 . . 6.000 5.396 5.324 5.465 . 0 0 "[ . 1 . 2]" 7
256 1 8 A HO2' 2 74 TRP HE1 . . 3.300 2.310 2.283 2.343 . 0 0 "[ . 1 . 2]" 7
257 1 9 C H1' 2 74 TRP HE1 . . 5.000 4.991 4.887 5.024 0.024 14 0 "[ . 1 . 2]" 7
258 1 6 A H8 2 74 TRP HZ2 . . 5.000 4.305 4.266 4.342 . 0 0 "[ . 1 . 2]" 7
259 1 6 A H2 2 74 TRP HZ2 . . 6.000 4.556 4.401 4.686 . 0 0 "[ . 1 . 2]" 7
260 1 9 C H1' 2 74 TRP HZ2 . . 2.700 2.296 2.215 2.326 . 0 0 "[ . 1 . 2]" 7
261 1 6 A H8 2 74 TRP HH2 . . 5.000 5.088 5.075 5.100 0.100 6 0 "[ . 1 . 2]" 7
262 1 6 A H2 2 74 TRP HH2 . . 5.000 4.560 4.322 4.745 . 0 0 "[ . 1 . 2]" 7
263 1 9 C H1' 2 74 TRP HH2 . . 2.700 2.568 2.500 2.627 . 0 0 "[ . 1 . 2]" 7
264 1 6 A H8 2 74 TRP HZ3 . . 5.000 5.026 4.992 5.046 0.046 20 0 "[ . 1 . 2]" 7
265 1 9 C H1' 2 74 TRP HZ3 . . 5.000 4.985 4.906 5.043 0.043 12 0 "[ . 1 . 2]" 7
266 1 5 C H1' 2 75 THR H . . 5.000 3.835 3.740 3.952 . 0 0 "[ . 1 . 2]" 7
267 1 5 C HO2' 2 75 THR H . . 5.000 4.783 4.513 5.002 0.002 12 0 "[ . 1 . 2]" 7
268 1 8 A H2 2 75 THR H . . 5.000 3.571 3.459 3.640 . 0 0 "[ . 1 . 2]" 7
269 1 8 A H2 2 75 THR HA . . 3.300 3.348 3.326 3.379 0.079 11 0 "[ . 1 . 2]" 7
270 1 8 A H2 2 75 THR HB . . 5.000 4.625 4.578 4.694 . 0 0 "[ . 1 . 2]" 7
271 1 5 C H1' 2 75 THR MG . . 5.000 4.067 4.017 4.136 . 0 0 "[ . 1 . 2]" 7
272 1 8 A H2 2 75 THR MG . . 2.700 2.049 2.025 2.079 . 0 0 "[ . 1 . 2]" 7
273 1 8 A HO2' 2 78 LEU MD1 . . 3.300 2.772 2.709 2.886 . 0 0 "[ . 1 . 2]" 7
274 1 8 A HO2' 2 78 LEU MD2 . . 5.000 4.024 3.918 4.117 . 0 0 "[ . 1 . 2]" 7
275 1 8 A H2 2 78 LEU MD1 . . 3.300 3.341 3.328 3.356 0.056 12 0 "[ . 1 . 2]" 7
276 1 9 C H1' 2 78 LEU MD1 . . 5.000 4.244 4.185 4.309 . 0 0 "[ . 1 . 2]" 7
277 1 9 C H1' 2 78 LEU MD2 . . 3.300 3.388 3.361 3.413 0.113 10 0 "[ . 1 . 2]" 7
278 1 9 C H6 2 78 LEU MD1 . . 5.000 4.373 4.272 4.460 . 0 0 "[ . 1 . 2]" 7
279 1 9 C H6 2 78 LEU MD2 . . 5.000 4.815 4.768 4.884 . 0 0 "[ . 1 . 2]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 334
_Distance_constraint_stats_list.Viol_count 1100
_Distance_constraint_stats_list.Viol_total 1461.331
_Distance_constraint_stats_list.Viol_max 0.678
_Distance_constraint_stats_list.Viol_rms 0.0365
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.0664
_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
2 1 MET 2.226 0.117 15 0 "[ . 1 . 2]"
2 2 TYR 4.325 0.118 13 0 "[ . 1 . 2]"
2 3 VAL 5.042 0.075 4 0 "[ . 1 . 2]"
2 4 CYS 0.853 0.048 20 0 "[ . 1 . 2]"
2 5 HIS 1.432 0.075 4 0 "[ . 1 . 2]"
2 6 PHE 6.001 0.146 20 0 "[ . 1 . 2]"
2 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 ASN 0.581 0.058 6 0 "[ . 1 . 2]"
2 9 CYS 3.411 0.146 20 0 "[ . 1 . 2]"
2 10 GLY 1.339 0.058 6 0 "[ . 1 . 2]"
2 11 LYS 5.362 0.117 9 0 "[ . 1 . 2]"
2 12 ALA 2.969 0.064 20 0 "[ . 1 . 2]"
2 13 PHE 12.227 0.678 3 2 "[ + . 1 .- 2]"
2 14 LYS 1.749 0.133 17 0 "[ . 1 . 2]"
2 15 LYS 1.747 0.133 17 0 "[ . 1 . 2]"
2 16 HIS 0.882 0.054 17 0 "[ . 1 . 2]"
2 17 ASN 0.637 0.054 17 0 "[ . 1 . 2]"
2 18 GLN 1.920 0.678 3 2 "[ + . 1 .- 2]"
2 19 LEU 1.409 0.089 15 0 "[ . 1 . 2]"
2 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 VAL 8.534 0.168 5 0 "[ . 1 . 2]"
2 22 HIS 6.146 0.191 3 0 "[ . 1 . 2]"
2 23 GLN 0.176 0.164 17 0 "[ . 1 . 2]"
2 24 PHE 12.584 0.586 18 2 "[ . - 1 . + 2]"
2 25 SER 0.989 0.061 5 0 "[ . 1 . 2]"
2 26 HIS 2.974 0.067 16 0 "[ . 1 . 2]"
2 27 THR 7.989 0.163 1 0 "[ . 1 . 2]"
2 28 GLN 1.304 0.209 17 0 "[ . 1 . 2]"
2 29 GLN 10.059 0.163 1 0 "[ . 1 . 2]"
2 30 LEU 1.819 0.130 17 0 "[ . 1 . 2]"
2 31 PRO 5.065 0.233 1 0 "[ . 1 . 2]"
2 32 TYR 5.396 0.188 14 0 "[ . 1 . 2]"
2 33 GLU 1.019 0.103 5 0 "[ . 1 . 2]"
2 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 ARG 3.126 0.188 14 0 "[ . 1 . 2]"
2 43 PHE 1.019 0.103 5 0 "[ . 1 . 2]"
2 44 SER 1.156 0.586 18 2 "[ . - 1 . + 2]"
2 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 PRO 8.707 0.459 1 0 "[ . 1 . 2]"
2 47 SER 0.615 0.065 17 0 "[ . 1 . 2]"
2 48 ARG 0.262 0.038 2 0 "[ . 1 . 2]"
2 49 LEU 7.096 0.459 1 0 "[ . 1 . 2]"
2 50 LYS 0.065 0.022 16 0 "[ . 1 . 2]"
2 51 ARG 1.303 0.088 6 0 "[ . 1 . 2]"
2 52 HIS 1.676 0.219 5 0 "[ . 1 . 2]"
2 53 GLU 0.769 0.046 12 0 "[ . 1 . 2]"
2 54 LYS 0.688 0.088 6 0 "[ . 1 . 2]"
2 55 VAL 0.271 0.056 20 0 "[ . 1 . 2]"
2 56 HIS 0.654 0.046 12 0 "[ . 1 . 2]"
2 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
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 2 1 MET HA 2 2 TYR QD . . 5.000 3.252 3.147 3.366 . 0 0 "[ . 1 . 2]" 8
2 2 1 MET HA 2 2 TYR QE . . 5.000 4.961 4.760 5.024 0.024 20 0 "[ . 1 . 2]" 8
3 2 1 MET HA 2 3 VAL MG2 . . 5.000 4.917 4.771 4.982 . 0 0 "[ . 1 . 2]" 8
4 2 1 MET HA 2 12 ALA MB . . 5.000 4.833 4.629 4.931 . 0 0 "[ . 1 . 2]" 8
5 2 1 MET QB 2 3 VAL MG2 . . 5.000 3.631 3.505 3.716 . 0 0 "[ . 1 . 2]" 8
6 2 1 MET QB 2 12 ALA MB . . 5.000 3.966 3.905 4.036 . 0 0 "[ . 1 . 2]" 8
7 2 1 MET QB 2 14 LYS HA . . 5.000 4.633 4.425 4.805 . 0 0 "[ . 1 . 2]" 8
8 2 1 MET QG 2 2 TYR QD . . 5.000 4.781 4.662 4.906 . 0 0 "[ . 1 . 2]" 8
9 2 1 MET QG 2 3 VAL MG2 . . 3.300 2.777 2.471 2.948 . 0 0 "[ . 1 . 2]" 8
10 2 1 MET QG 2 12 ALA MB . . 5.000 2.177 2.116 2.220 . 0 0 "[ . 1 . 2]" 8
11 2 1 MET QG 2 14 LYS HA . . 5.000 4.131 3.898 4.552 . 0 0 "[ . 1 . 2]" 8
12 2 1 MET ME 2 2 TYR QD . . 5.000 4.986 4.869 5.019 0.019 8 0 "[ . 1 . 2]" 8
13 2 1 MET ME 2 3 VAL MG2 . . 5.000 4.907 4.549 5.011 0.011 3 0 "[ . 1 . 2]" 8
14 2 1 MET ME 2 12 ALA HA . . 5.000 4.931 4.476 5.051 0.051 20 0 "[ . 1 . 2]" 8
15 2 1 MET ME 2 12 ALA MB . . 5.000 3.424 2.945 3.574 . 0 0 "[ . 1 . 2]" 8
16 2 1 MET ME 2 13 PHE HA . . 3.300 3.319 3.300 3.329 0.029 18 0 "[ . 1 . 2]" 8
17 2 1 MET ME 2 14 LYS HA . . 5.000 2.160 1.972 2.558 . 0 0 "[ . 1 . 2]" 8
18 2 1 MET ME 2 14 LYS QE . . 5.000 5.059 4.975 5.117 0.117 15 0 "[ . 1 . 2]" 8
19 2 2 TYR H 2 12 ALA MB . . 5.000 4.459 4.353 4.523 . 0 0 "[ . 1 . 2]" 8
20 2 2 TYR H 2 13 PHE HB3 . . 5.000 5.072 5.032 5.118 0.118 13 0 "[ . 1 . 2]" 8
21 2 2 TYR HA 2 3 VAL MG2 . . 3.300 3.351 3.341 3.371 0.071 5 0 "[ . 1 . 2]" 8
22 2 2 TYR HA 2 19 LEU QD . . 3.300 3.370 3.354 3.389 0.089 15 0 "[ . 1 . 2]" 8
23 2 2 TYR HB3 2 19 LEU QD . . 5.000 2.013 1.979 2.067 . 0 0 "[ . 1 . 2]" 8
24 2 2 TYR HB2 2 19 LEU QD . . 5.000 3.289 3.248 3.361 . 0 0 "[ . 1 . 2]" 8
25 2 2 TYR QE 2 16 HIS HD2 . . 3.300 3.307 3.244 3.334 0.034 6 0 "[ . 1 . 2]" 8
26 2 3 VAL H 2 3 VAL HB . . 2.700 2.508 2.497 2.518 . 0 0 "[ . 1 . 2]" 8
27 2 3 VAL H 2 3 VAL MG2 . . 2.700 2.468 2.442 2.492 . 0 0 "[ . 1 . 2]" 8
28 2 3 VAL H 2 19 LEU QD . . 3.300 2.917 2.881 2.975 . 0 0 "[ . 1 . 2]" 8
29 2 3 VAL HA 2 12 ALA MB . . 3.300 3.352 3.340 3.364 0.064 20 0 "[ . 1 . 2]" 8
30 2 3 VAL MG1 2 4 CYS H . . 3.300 2.570 2.554 2.577 . 0 0 "[ . 1 . 2]" 8
31 2 3 VAL MG1 2 4 CYS HA . . 5.000 4.008 3.990 4.022 . 0 0 "[ . 1 . 2]" 8
32 2 3 VAL MG1 2 5 HIS HA . . 5.000 3.725 3.701 3.755 . 0 0 "[ . 1 . 2]" 8
33 2 3 VAL MG1 2 5 HIS HE1 . . 2.700 2.636 2.572 2.683 . 0 0 "[ . 1 . 2]" 8
34 2 3 VAL MG1 2 10 GLY H . . 5.000 4.130 4.102 4.156 . 0 0 "[ . 1 . 2]" 8
35 2 3 VAL MG1 2 10 GLY HA2 . . 3.300 2.747 2.730 2.771 . 0 0 "[ . 1 . 2]" 8
36 2 3 VAL MG1 2 11 LYS H . . 5.000 3.959 3.936 3.985 . 0 0 "[ . 1 . 2]" 8
37 2 3 VAL MG1 2 12 ALA HA . . 3.300 3.128 3.062 3.182 . 0 0 "[ . 1 . 2]" 8
38 2 3 VAL MG1 2 12 ALA MB . . 3.300 2.922 2.875 2.967 . 0 0 "[ . 1 . 2]" 8
39 2 3 VAL MG2 2 5 HIS HE1 . . 3.300 3.372 3.367 3.375 0.075 4 0 "[ . 1 . 2]" 8
40 2 3 VAL MG2 2 10 GLY HA2 . . 5.000 5.038 5.023 5.057 0.057 20 0 "[ . 1 . 2]" 8
41 2 3 VAL MG2 2 12 ALA HA . . 2.700 2.738 2.730 2.747 0.047 1 0 "[ . 1 . 2]" 8
42 2 3 VAL MG2 2 12 ALA MB . . 2.700 2.219 2.205 2.232 . 0 0 "[ . 1 . 2]" 8
43 2 3 VAL MG2 2 13 PHE H . . 5.000 3.767 3.697 3.812 . 0 0 "[ . 1 . 2]" 8
44 2 4 CYS H 2 13 PHE QE . . 3.300 2.698 2.657 2.774 . 0 0 "[ . 1 . 2]" 8
45 2 4 CYS H 2 13 PHE HZ . . 5.000 4.903 4.868 4.961 . 0 0 "[ . 1 . 2]" 8
46 2 4 CYS H 2 22 HIS HD2 . . 5.000 5.042 5.034 5.048 0.048 20 0 "[ . 1 . 2]" 8
47 2 4 CYS HA 2 6 PHE H . . 5.000 3.751 3.722 3.779 . 0 0 "[ . 1 . 2]" 8
48 2 4 CYS HA 2 13 PHE QE . . 5.000 4.135 4.108 4.180 . 0 0 "[ . 1 . 2]" 8
49 2 4 CYS HA 2 19 LEU QD . . 2.700 1.931 1.917 1.947 . 0 0 "[ . 1 . 2]" 8
50 2 4 CYS HA 2 22 HIS HD2 . . 5.000 4.473 4.445 4.510 . 0 0 "[ . 1 . 2]" 8
51 2 4 CYS HA 2 23 GLN HE21 . . 2.700 2.377 2.280 2.448 . 0 0 "[ . 1 . 2]" 8
52 2 4 CYS HA 2 23 GLN HE22 . . 3.300 2.991 2.903 3.311 0.011 17 0 "[ . 1 . 2]" 8
53 2 4 CYS HB2 2 13 PHE QD . . 5.000 4.029 3.944 4.133 . 0 0 "[ . 1 . 2]" 8
54 2 4 CYS HB2 2 13 PHE QE . . 5.000 2.142 2.093 2.190 . 0 0 "[ . 1 . 2]" 8
55 2 4 CYS HB2 2 19 LEU QD . . 3.300 2.188 2.149 2.220 . 0 0 "[ . 1 . 2]" 8
56 2 4 CYS HB2 2 22 HIS HD2 . . 3.300 2.458 2.434 2.478 . 0 0 "[ . 1 . 2]" 8
57 2 4 CYS HB3 2 11 LYS H . . 3.300 2.731 2.653 2.802 . 0 0 "[ . 1 . 2]" 8
58 2 4 CYS HB3 2 11 LYS QB . . 5.000 2.769 2.750 2.791 . 0 0 "[ . 1 . 2]" 8
59 2 4 CYS HB3 2 19 LEU QD . . 5.000 3.413 3.386 3.439 . 0 0 "[ . 1 . 2]" 8
60 2 5 HIS H 2 6 PHE H . . 2.700 2.599 2.578 2.615 . 0 0 "[ . 1 . 2]" 8
61 2 5 HIS H 2 19 LEU QD . . 5.000 3.531 3.459 3.554 . 0 0 "[ . 1 . 2]" 8
62 2 5 HIS H 2 23 GLN HE21 . . 5.000 2.649 2.586 2.713 . 0 0 "[ . 1 . 2]" 8
63 2 5 HIS H 2 23 GLN HE22 . . 5.000 2.662 2.501 3.278 . 0 0 "[ . 1 . 2]" 8
64 2 5 HIS HA 2 10 GLY H . . 5.000 3.530 3.474 3.594 . 0 0 "[ . 1 . 2]" 8
65 2 6 PHE H 2 9 CYS H . . 5.000 4.569 4.558 4.579 . 0 0 "[ . 1 . 2]" 8
66 2 6 PHE H 2 9 CYS QB . . 5.000 2.792 2.769 2.820 . 0 0 "[ . 1 . 2]" 8
67 2 6 PHE H 2 10 GLY H . . 5.000 3.819 3.764 3.860 . 0 0 "[ . 1 . 2]" 8
68 2 6 PHE H 2 23 GLN HE21 . . 5.000 3.283 3.149 3.818 . 0 0 "[ . 1 . 2]" 8
69 2 6 PHE H 2 26 HIS HD2 . . 5.000 5.008 5.001 5.016 0.016 5 0 "[ . 1 . 2]" 8
70 2 6 PHE HA 2 7 GLU H . . 2.700 2.346 2.336 2.356 . 0 0 "[ . 1 . 2]" 8
71 2 6 PHE QB 2 9 CYS H . . 5.000 3.750 3.723 3.785 . 0 0 "[ . 1 . 2]" 8
72 2 6 PHE QB 2 9 CYS QB . . 3.300 1.995 1.991 2.001 . 0 0 "[ . 1 . 2]" 8
73 2 6 PHE QB 2 26 HIS HD2 . . 3.300 3.005 2.998 3.012 . 0 0 "[ . 1 . 2]" 8
74 2 6 PHE QB 2 26 HIS HE1 . . 3.300 2.984 2.980 2.988 . 0 0 "[ . 1 . 2]" 8
75 2 6 PHE QD 2 7 GLU H . . 5.000 2.754 2.712 2.831 . 0 0 "[ . 1 . 2]" 8
76 2 6 PHE QD 2 9 CYS H . . 5.000 4.377 4.339 4.438 . 0 0 "[ . 1 . 2]" 8
77 2 6 PHE QD 2 9 CYS HA . . 5.000 5.130 5.120 5.146 0.146 20 0 "[ . 1 . 2]" 8
78 2 6 PHE QD 2 9 CYS QB . . 5.000 3.158 3.132 3.177 . 0 0 "[ . 1 . 2]" 8
79 2 6 PHE QD 2 26 HIS HD2 . . 3.300 3.363 3.352 3.367 0.067 16 0 "[ . 1 . 2]" 8
80 2 6 PHE QD 2 26 HIS HE1 . . 3.300 3.055 3.002 3.099 . 0 0 "[ . 1 . 2]" 8
81 2 6 PHE QD 2 27 THR MG . . 5.000 4.289 4.231 4.339 . 0 0 "[ . 1 . 2]" 8
82 2 6 PHE QE 2 26 HIS HD2 . . 5.000 4.656 4.581 4.679 . 0 0 "[ . 1 . 2]" 8
83 2 6 PHE QE 2 27 THR HA . . 5.000 4.405 4.371 4.455 . 0 0 "[ . 1 . 2]" 8
84 2 6 PHE QE 2 27 THR MG . . 3.300 3.335 3.327 3.340 0.040 13 0 "[ . 1 . 2]" 8
85 2 6 PHE HZ 2 27 THR HA . . 5.000 5.063 5.049 5.077 0.077 20 0 "[ . 1 . 2]" 8
86 2 6 PHE HZ 2 27 THR MG . . 5.000 4.940 4.913 4.960 . 0 0 "[ . 1 . 2]" 8
87 2 7 GLU HA 2 8 ASN H . . 2.700 2.173 2.168 2.176 . 0 0 "[ . 1 . 2]" 8
88 2 7 GLU HA 2 9 CYS H . . 4.000 3.760 3.747 3.768 . 0 0 "[ . 1 . 2]" 8
89 2 8 ASN H 2 9 CYS H . . 2.700 2.616 2.605 2.624 . 0 0 "[ . 1 . 2]" 8
90 2 8 ASN H 2 10 GLY H . . 5.000 5.029 5.012 5.058 0.058 6 0 "[ . 1 . 2]" 8
91 2 9 CYS H 2 9 CYS QB . . 2.700 2.309 2.301 2.315 . 0 0 "[ . 1 . 2]" 8
92 2 9 CYS H 2 10 GLY H . . 3.300 2.947 2.921 2.983 . 0 0 "[ . 1 . 2]" 8
93 2 9 CYS H 2 10 GLY HA2 . . 5.000 4.943 4.928 4.974 . 0 0 "[ . 1 . 2]" 8
94 2 9 CYS HA 2 11 LYS H . . 5.000 4.079 4.038 4.144 . 0 0 "[ . 1 . 2]" 8
95 2 9 CYS HA 2 26 HIS HE1 . . 5.000 4.004 3.905 4.088 . 0 0 "[ . 1 . 2]" 8
96 2 9 CYS QB 2 10 GLY H . . 2.700 1.917 1.891 1.937 . 0 0 "[ . 1 . 2]" 8
97 2 9 CYS QB 2 11 LYS H . . 3.300 3.340 3.333 3.347 0.047 13 0 "[ . 1 . 2]" 8
98 2 9 CYS QB 2 26 HIS HE1 . . 3.300 2.615 2.545 2.715 . 0 0 "[ . 1 . 2]" 8
99 2 11 LYS H 2 13 PHE QE . . 5.000 4.554 4.464 4.671 . 0 0 "[ . 1 . 2]" 8
100 2 11 LYS H 2 13 PHE HZ . . 5.000 5.097 5.077 5.117 0.117 9 0 "[ . 1 . 2]" 8
101 2 11 LYS HA 2 13 PHE QE . . 5.000 4.824 4.768 4.898 . 0 0 "[ . 1 . 2]" 8
102 2 11 LYS HA 2 13 PHE HZ . . 5.000 5.050 5.041 5.057 0.057 20 0 "[ . 1 . 2]" 8
103 2 11 LYS QB 2 13 PHE QD . . 5.000 4.466 4.459 4.475 . 0 0 "[ . 1 . 2]" 8
104 2 11 LYS QB 2 13 PHE QE . . 5.000 2.589 2.535 2.658 . 0 0 "[ . 1 . 2]" 8
105 2 11 LYS QB 2 13 PHE HZ . . 5.000 2.344 2.322 2.362 . 0 0 "[ . 1 . 2]" 8
106 2 11 LYS QB 2 19 LEU QD . . 5.000 4.289 4.216 4.377 . 0 0 "[ . 1 . 2]" 8
107 2 11 LYS QB 2 22 HIS HE1 . . 5.000 3.489 3.475 3.511 . 0 0 "[ . 1 . 2]" 8
108 2 11 LYS QG 2 13 PHE QD . . 5.000 4.299 4.264 4.345 . 0 0 "[ . 1 . 2]" 8
109 2 11 LYS QG 2 13 PHE QE . . 5.000 3.215 3.175 3.253 . 0 0 "[ . 1 . 2]" 8
110 2 11 LYS QG 2 13 PHE HZ . . 5.000 2.794 2.776 2.816 . 0 0 "[ . 1 . 2]" 8
111 2 11 LYS QG 2 22 HIS HE1 . . 5.000 4.467 4.466 4.470 . 0 0 "[ . 1 . 2]" 8
112 2 11 LYS QD 2 13 PHE QD . . 5.000 5.011 5.001 5.022 0.022 6 0 "[ . 1 . 2]" 8
113 2 11 LYS QD 2 13 PHE QE . . 5.000 3.190 3.162 3.207 . 0 0 "[ . 1 . 2]" 8
114 2 11 LYS QD 2 13 PHE HZ . . 5.000 2.146 2.111 2.176 . 0 0 "[ . 1 . 2]" 8
115 2 11 LYS QD 2 22 HIS HE1 . . 3.300 2.373 2.364 2.381 . 0 0 "[ . 1 . 2]" 8
116 2 11 LYS QE 2 13 PHE QD . . 5.000 4.471 4.369 4.583 . 0 0 "[ . 1 . 2]" 8
117 2 11 LYS QE 2 13 PHE QE . . 3.300 2.722 2.592 2.841 . 0 0 "[ . 1 . 2]" 8
118 2 11 LYS QE 2 13 PHE HZ . . 3.300 3.305 3.300 3.310 0.010 9 0 "[ . 1 . 2]" 8
119 2 11 LYS QE 2 22 HIS HE1 . . 3.300 3.365 3.360 3.370 0.070 15 0 "[ . 1 . 2]" 8
120 2 12 ALA H 2 13 PHE QD . . 5.000 4.897 4.870 4.930 . 0 0 "[ . 1 . 2]" 8
121 2 12 ALA H 2 13 PHE QE . . 5.000 4.522 4.491 4.574 . 0 0 "[ . 1 . 2]" 8
122 2 12 ALA H 2 13 PHE HZ . . 5.000 5.039 5.024 5.062 0.062 11 0 "[ . 1 . 2]" 8
123 2 12 ALA HA 2 13 PHE QD . . 5.000 3.165 3.123 3.252 . 0 0 "[ . 1 . 2]" 8
124 2 13 PHE H 2 13 PHE QD . . 2.700 2.461 2.408 2.518 . 0 0 "[ . 1 . 2]" 8
125 2 13 PHE HA 2 15 LYS H . . 5.000 4.270 4.128 4.452 . 0 0 "[ . 1 . 2]" 8
126 2 13 PHE HB2 2 14 LYS H . . 5.000 3.667 3.560 3.807 . 0 0 "[ . 1 . 2]" 8
127 2 13 PHE HB2 2 15 LYS H . . 3.300 3.360 3.322 3.407 0.107 17 0 "[ . 1 . 2]" 8
128 2 13 PHE HB3 2 14 LYS H . . 5.000 2.666 2.531 2.810 . 0 0 "[ . 1 . 2]" 8
129 2 13 PHE HB3 2 15 LYS H . . 3.300 2.904 2.767 3.100 . 0 0 "[ . 1 . 2]" 8
130 2 13 PHE HB3 2 19 LEU H . . 5.000 3.725 3.596 3.828 . 0 0 "[ . 1 . 2]" 8
131 2 13 PHE QD 2 14 LYS H . . 5.000 4.147 4.043 4.245 . 0 0 "[ . 1 . 2]" 8
132 2 13 PHE QD 2 18 GLN HA . . 5.000 4.794 4.657 5.006 0.006 3 0 "[ . 1 . 2]" 8
133 2 13 PHE QD 2 18 GLN QB . . 5.000 2.650 2.578 2.929 . 0 0 "[ . 1 . 2]" 8
134 2 13 PHE QD 2 18 GLN HG2 . . 5.000 5.088 4.947 5.678 0.678 3 2 "[ + . 1 .- 2]" 8
135 2 13 PHE QD 2 19 LEU HA . . 3.300 2.959 2.867 3.023 . 0 0 "[ . 1 . 2]" 8
136 2 13 PHE QD 2 19 LEU HB2 . . 5.000 2.592 2.422 2.747 . 0 0 "[ . 1 . 2]" 8
137 2 13 PHE QD 2 19 LEU HB3 . . 5.000 4.255 4.111 4.385 . 0 0 "[ . 1 . 2]" 8
138 2 13 PHE QD 2 19 LEU QD . . 3.300 2.332 2.224 2.458 . 0 0 "[ . 1 . 2]" 8
139 2 13 PHE QE 2 19 LEU HA . . 5.000 3.355 3.193 3.459 . 0 0 "[ . 1 . 2]" 8
140 2 13 PHE QE 2 19 LEU QD . . 3.300 2.460 2.352 2.605 . 0 0 "[ . 1 . 2]" 8
141 2 13 PHE QE 2 22 HIS HA . . 5.000 4.638 4.528 4.751 . 0 0 "[ . 1 . 2]" 8
142 2 13 PHE QE 2 22 HIS HB3 . . 5.000 3.402 3.342 3.431 . 0 0 "[ . 1 . 2]" 8
143 2 13 PHE QE 2 22 HIS HB2 . . 5.000 2.706 2.610 2.873 . 0 0 "[ . 1 . 2]" 8
144 2 13 PHE QE 2 22 HIS HD2 . . 5.000 3.456 3.381 3.512 . 0 0 "[ . 1 . 2]" 8
145 2 13 PHE QE 2 22 HIS HE1 . . 5.000 4.840 4.760 4.918 . 0 0 "[ . 1 . 2]" 8
146 2 13 PHE HZ 2 19 LEU HA . . 5.000 4.283 4.152 4.450 . 0 0 "[ . 1 . 2]" 8
147 2 13 PHE HZ 2 22 HIS H . . 5.000 5.162 5.134 5.191 0.191 3 0 "[ . 1 . 2]" 8
148 2 13 PHE HZ 2 22 HIS HA . . 5.000 4.804 4.755 4.843 . 0 0 "[ . 1 . 2]" 8
149 2 13 PHE HZ 2 22 HIS HB3 . . 5.000 3.193 3.146 3.223 . 0 0 "[ . 1 . 2]" 8
150 2 13 PHE HZ 2 22 HIS HB2 . . 5.000 2.851 2.827 2.889 . 0 0 "[ . 1 . 2]" 8
151 2 13 PHE HZ 2 22 HIS HD2 . . 5.000 3.428 3.366 3.481 . 0 0 "[ . 1 . 2]" 8
152 2 13 PHE HZ 2 22 HIS HE1 . . 5.000 3.823 3.733 3.901 . 0 0 "[ . 1 . 2]" 8
153 2 14 LYS H 2 14 LYS QG . . 5.000 3.715 2.943 3.985 . 0 0 "[ . 1 . 2]" 8
154 2 14 LYS H 2 15 LYS H . . 3.300 2.711 2.574 2.813 . 0 0 "[ . 1 . 2]" 8
155 2 14 LYS H 2 15 LYS QG . . 5.000 4.514 4.462 4.618 . 0 0 "[ . 1 . 2]" 8
156 2 14 LYS QB 2 15 LYS H . . 3.300 2.799 2.487 3.433 0.133 17 0 "[ . 1 . 2]" 8
157 2 15 LYS H 2 18 GLN QB . . 3.300 3.032 2.716 3.301 0.001 12 0 "[ . 1 . 2]" 8
158 2 15 LYS H 2 18 GLN HG3 . . 3.300 3.011 2.722 3.073 . 0 0 "[ . 1 . 2]" 8
159 2 15 LYS H 2 18 GLN QE . . 5.000 4.257 4.066 4.490 . 0 0 "[ . 1 . 2]" 8
160 2 15 LYS HA 2 16 HIS H . . 2.700 2.295 2.254 2.370 . 0 0 "[ . 1 . 2]" 8
161 2 15 LYS HA 2 16 HIS HB3 . . 5.000 4.616 4.571 4.654 . 0 0 "[ . 1 . 2]" 8
162 2 15 LYS HA 2 17 ASN H . . 5.000 4.189 4.035 4.374 . 0 0 "[ . 1 . 2]" 8
163 2 16 HIS H 2 16 HIS HD2 . . 5.000 3.351 3.187 3.448 . 0 0 "[ . 1 . 2]" 8
164 2 16 HIS HA 2 19 LEU QD . . 3.300 2.985 2.853 3.173 . 0 0 "[ . 1 . 2]" 8
165 2 16 HIS HD2 2 17 ASN H . . 5.000 5.027 4.910 5.054 0.054 17 0 "[ . 1 . 2]" 8
166 2 16 HIS HE1 2 17 ASN H . . 5.000 4.577 4.106 4.696 . 0 0 "[ . 1 . 2]" 8
167 2 16 HIS HE1 2 17 ASN QD . . 3.300 2.951 2.937 3.017 . 0 0 "[ . 1 . 2]" 8
168 2 19 LEU HA 2 19 LEU QD . . 2.700 2.194 2.174 2.220 . 0 0 "[ . 1 . 2]" 8
169 2 19 LEU HA 2 22 HIS HD2 . . 5.000 4.466 4.367 4.558 . 0 0 "[ . 1 . 2]" 8
170 2 19 LEU HB3 2 20 LYS H . . 2.700 2.450 2.432 2.469 . 0 0 "[ . 1 . 2]" 8
171 2 19 LEU HG 2 23 GLN HG3 . . 5.000 3.597 3.467 3.786 . 0 0 "[ . 1 . 2]" 8
172 2 19 LEU HG 2 23 GLN H . . 5.000 4.695 4.600 4.795 . 0 0 "[ . 1 . 2]" 8
173 2 19 LEU HG 2 23 GLN HE21 . . 5.000 4.537 4.034 4.675 . 0 0 "[ . 1 . 2]" 8
174 2 19 LEU HG 2 23 GLN HE22 . . 5.000 4.380 3.819 4.595 . 0 0 "[ . 1 . 2]" 8
175 2 19 LEU QD 2 22 HIS HD2 . . 3.300 3.145 3.077 3.206 . 0 0 "[ . 1 . 2]" 8
176 2 19 LEU QD 2 23 GLN H . . 5.000 3.665 3.578 3.737 . 0 0 "[ . 1 . 2]" 8
177 2 19 LEU QD 2 23 GLN HG3 . . 3.300 2.558 2.454 2.684 . 0 0 "[ . 1 . 2]" 8
178 2 19 LEU QD 2 23 GLN HG2 . . 5.000 3.627 3.525 3.775 . 0 0 "[ . 1 . 2]" 8
179 2 19 LEU QD 2 23 GLN HE21 . . 3.300 2.765 2.502 2.851 . 0 0 "[ . 1 . 2]" 8
180 2 19 LEU QD 2 23 GLN HE22 . . 3.300 3.051 2.880 3.171 . 0 0 "[ . 1 . 2]" 8
181 2 21 VAL H 2 21 VAL MG2 . . 2.700 2.466 2.392 2.550 . 0 0 "[ . 1 . 2]" 8
182 2 21 VAL HA 2 24 PHE QD . . 3.300 2.015 1.979 2.114 . 0 0 "[ . 1 . 2]" 8
183 2 21 VAL HB 2 22 HIS H . . 2.700 2.731 2.715 2.775 0.075 17 0 "[ . 1 . 2]" 8
184 2 21 VAL MG1 2 22 HIS H . . 3.300 3.124 3.007 3.157 . 0 0 "[ . 1 . 2]" 8
185 2 21 VAL MG1 2 24 PHE H . . 5.000 4.958 4.874 4.998 . 0 0 "[ . 1 . 2]" 8
186 2 21 VAL MG2 2 22 HIS H . . 5.000 4.040 4.017 4.070 . 0 0 "[ . 1 . 2]" 8
187 2 21 VAL MG2 2 24 PHE QE . . 3.300 3.442 3.426 3.453 0.153 4 0 "[ . 1 . 2]" 8
188 2 22 HIS HA 2 22 HIS HB2 . . 2.700 2.394 2.382 2.414 . 0 0 "[ . 1 . 2]" 8
189 2 22 HIS HB3 2 22 HIS HD2 . . 2.700 2.584 2.571 2.595 . 0 0 "[ . 1 . 2]" 8
190 2 22 HIS HD2 2 23 GLN H . . 5.000 3.416 3.363 3.454 . 0 0 "[ . 1 . 2]" 8
191 2 22 HIS HD2 2 23 GLN HA . . 5.000 3.336 3.270 3.381 . 0 0 "[ . 1 . 2]" 8
192 2 22 HIS HD2 2 23 GLN HG3 . . 3.300 2.825 2.686 2.945 . 0 0 "[ . 1 . 2]" 8
193 2 22 HIS HD2 2 23 GLN HG2 . . 3.300 3.042 2.908 3.464 0.164 17 0 "[ . 1 . 2]" 8
194 2 22 HIS HD2 2 26 HIS HD2 . . 5.000 3.420 3.343 3.490 . 0 0 "[ . 1 . 2]" 8
195 2 23 GLN H 2 26 HIS HD2 . . 5.000 4.636 4.582 4.665 . 0 0 "[ . 1 . 2]" 8
196 2 23 GLN HA 2 26 HIS HD2 . . 2.700 2.056 2.031 2.071 . 0 0 "[ . 1 . 2]" 8
197 2 23 GLN HA 2 27 THR MG . . 5.000 4.104 4.068 4.136 . 0 0 "[ . 1 . 2]" 8
198 2 23 GLN QB 2 26 HIS HD2 . . 5.000 3.774 3.712 3.903 . 0 0 "[ . 1 . 2]" 8
199 2 23 GLN QB 2 27 THR MG . . 3.300 3.021 3.010 3.051 . 0 0 "[ . 1 . 2]" 8
200 2 23 GLN HG2 2 26 HIS HD2 . . 3.300 2.637 2.586 3.023 . 0 0 "[ . 1 . 2]" 8
201 2 23 GLN HE21 2 26 HIS HD2 . . 5.000 4.326 4.234 5.001 0.001 17 0 "[ . 1 . 2]" 8
202 2 24 PHE H 2 27 THR HG1 . . 5.000 4.310 4.275 4.579 . 0 0 "[ . 1 . 2]" 8
203 2 24 PHE HA 2 27 THR HG1 . . 2.700 1.967 1.947 2.008 . 0 0 "[ . 1 . 2]" 8
204 2 24 PHE HA 2 27 THR MG . . 3.300 3.290 2.944 3.323 0.023 20 0 "[ . 1 . 2]" 8
205 2 24 PHE QB 2 29 GLN QE . . 3.300 2.646 2.639 2.652 . 0 0 "[ . 1 . 2]" 8
206 2 24 PHE QD 2 25 SER HA . . 5.000 3.551 3.513 3.588 . 0 0 "[ . 1 . 2]" 8
207 2 24 PHE QD 2 25 SER QB . . 5.000 4.466 4.436 4.471 . 0 0 "[ . 1 . 2]" 8
208 2 24 PHE QD 2 28 GLN H . . 5.000 4.132 3.678 4.182 . 0 0 "[ . 1 . 2]" 8
209 2 24 PHE QD 2 28 GLN HA . . 5.000 3.652 3.316 3.683 . 0 0 "[ . 1 . 2]" 8
210 2 24 PHE QD 2 29 GLN H . . 3.300 3.130 2.881 3.181 . 0 0 "[ . 1 . 2]" 8
211 2 24 PHE QD 2 29 GLN QB . . 5.000 5.088 5.053 5.098 0.098 16 0 "[ . 1 . 2]" 8
212 2 24 PHE QD 2 29 GLN QG . . 5.000 5.019 4.921 5.027 0.027 7 0 "[ . 1 . 2]" 8
213 2 24 PHE QE 2 28 GLN HA . . 5.000 4.460 3.612 4.522 . 0 0 "[ . 1 . 2]" 8
214 2 24 PHE QE 2 28 GLN QG . . 5.000 5.065 5.051 5.209 0.209 17 0 "[ . 1 . 2]" 8
215 2 25 SER H 2 26 HIS HD2 . . 5.000 5.049 5.019 5.061 0.061 5 0 "[ . 1 . 2]" 8
216 2 25 SER HA 2 28 GLN QE . . 3.300 2.980 2.766 2.995 . 0 0 "[ . 1 . 2]" 8
217 2 26 HIS H 2 26 HIS HD2 . . 3.300 3.328 3.321 3.344 0.044 20 0 "[ . 1 . 2]" 8
218 2 26 HIS H 2 27 THR HG1 . . 5.000 3.988 3.921 3.998 . 0 0 "[ . 1 . 2]" 8
219 2 26 HIS H 2 27 THR MG . . 5.000 4.190 3.954 4.223 . 0 0 "[ . 1 . 2]" 8
220 2 26 HIS HA 2 28 GLN QE . . 5.000 4.366 4.330 4.464 . 0 0 "[ . 1 . 2]" 8
221 2 26 HIS HB2 2 26 HIS HD2 . . 2.700 2.514 2.500 2.538 . 0 0 "[ . 1 . 2]" 8
222 2 26 HIS HD2 2 27 THR H . . 5.000 4.774 4.737 4.815 . 0 0 "[ . 1 . 2]" 8
223 2 26 HIS HD2 2 27 THR MG . . 5.000 4.764 4.704 4.801 . 0 0 "[ . 1 . 2]" 8
224 2 27 THR H 2 27 THR HG1 . . 2.700 1.893 1.876 2.052 . 0 0 "[ . 1 . 2]" 8
225 2 27 THR H 2 28 GLN HA . . 5.000 4.681 4.672 4.737 . 0 0 "[ . 1 . 2]" 8
226 2 27 THR H 2 29 GLN H . . 5.000 4.065 4.056 4.120 . 0 0 "[ . 1 . 2]" 8
227 2 27 THR HA 2 29 GLN QG . . 5.000 4.226 4.209 4.247 . 0 0 "[ . 1 . 2]" 8
228 2 27 THR HB 2 29 GLN H . . 3.300 3.432 3.398 3.449 0.149 16 0 "[ . 1 . 2]" 8
229 2 27 THR HB 2 29 GLN HB2 . . 5.000 5.134 5.090 5.163 0.163 1 0 "[ . 1 . 2]" 8
230 2 27 THR HB 2 29 GLN HB3 . . 5.000 4.224 4.154 4.255 . 0 0 "[ . 1 . 2]" 8
231 2 27 THR HB 2 29 GLN QG . . 3.300 2.125 2.093 2.151 . 0 0 "[ . 1 . 2]" 8
232 2 27 THR HB 2 29 GLN QE . . 3.300 2.980 2.972 2.998 . 0 0 "[ . 1 . 2]" 8
233 2 27 THR HG1 2 28 GLN H . . 3.300 2.651 2.349 2.682 . 0 0 "[ . 1 . 2]" 8
234 2 27 THR HG1 2 29 GLN H . . 2.700 2.711 2.361 2.739 0.039 20 0 "[ . 1 . 2]" 8
235 2 27 THR HG1 2 29 GLN QE . . 5.000 2.489 2.467 2.543 . 0 0 "[ . 1 . 2]" 8
236 2 27 THR MG 2 29 GLN H . . 5.000 4.291 4.229 4.309 . 0 0 "[ . 1 . 2]" 8
237 2 27 THR MG 2 29 GLN QG . . 5.000 3.360 3.300 3.378 . 0 0 "[ . 1 . 2]" 8
238 2 27 THR MG 2 29 GLN QE . . 3.300 2.953 2.949 2.957 . 0 0 "[ . 1 . 2]" 8
239 2 28 GLN H 2 29 GLN H . . 3.300 2.748 2.726 2.765 . 0 0 "[ . 1 . 2]" 8
240 2 18 GLN HA 2 45 LEU QD . . 5.000 3.659 3.539 3.765 . 0 0 "[ . 1 . 2]" 8
241 2 18 GLN HA 2 32 TYR QE . . 6.000 5.631 5.499 5.788 . 0 0 "[ . 1 . 2]" 8
242 2 18 GLN QB 2 45 LEU QD . . 5.000 4.537 4.526 4.555 . 0 0 "[ . 1 . 2]" 8
243 2 21 VAL HA 2 32 TYR QD . . 5.000 5.014 4.996 5.043 0.043 17 0 "[ . 1 . 2]" 8
244 2 21 VAL HA 2 32 TYR QE . . 3.300 3.399 3.375 3.413 0.113 16 0 "[ . 1 . 2]" 8
245 2 21 VAL HA 2 45 LEU QD . . 5.000 4.081 3.842 4.385 . 0 0 "[ . 1 . 2]" 8
246 2 21 VAL HB 2 45 LEU QD . . 5.000 3.444 3.378 3.525 . 0 0 "[ . 1 . 2]" 8
247 2 21 VAL MG2 2 32 TYR QD . . 5.000 3.771 3.694 3.871 . 0 0 "[ . 1 . 2]" 8
248 2 21 VAL MG2 2 32 TYR QE . . 3.300 1.987 1.942 2.057 . 0 0 "[ . 1 . 2]" 8
249 2 21 VAL MG2 2 45 LEU HA . . 5.000 2.694 2.566 2.833 . 0 0 "[ . 1 . 2]" 8
250 2 21 VAL MG2 2 45 LEU HG . . 5.000 3.641 2.863 4.100 . 0 0 "[ . 1 . 2]" 8
251 2 21 VAL MG2 2 45 LEU QD . . 2.700 1.755 1.702 1.808 . 0 0 "[ . 1 . 2]" 8
252 2 21 VAL MG2 2 46 PRO HD2 . . 3.300 3.440 3.414 3.468 0.168 5 0 "[ . 1 . 2]" 8
253 2 21 VAL MG2 2 46 PRO HD3 . . 5.000 3.160 2.981 3.456 . 0 0 "[ . 1 . 2]" 8
254 2 21 VAL MG1 2 32 TYR QE . . 5.000 4.132 4.021 4.305 . 0 0 "[ . 1 . 2]" 8
255 2 21 VAL MG1 2 45 LEU HA . . 5.000 4.274 4.187 4.399 . 0 0 "[ . 1 . 2]" 8
256 2 21 VAL MG1 2 45 LEU HG . . 5.000 3.838 3.084 4.487 . 0 0 "[ . 1 . 2]" 8
257 2 21 VAL MG1 2 45 LEU QD . . 2.700 2.187 2.011 2.338 . 0 0 "[ . 1 . 2]" 8
258 2 24 PHE HA 2 30 LEU QD . . 6.000 5.466 5.455 5.472 . 0 0 "[ . 1 . 2]" 8
259 2 24 PHE QD 2 30 LEU HA . . 5.000 3.143 3.110 3.183 . 0 0 "[ . 1 . 2]" 8
260 2 24 PHE QE 2 30 LEU HG . . 3.300 3.391 3.376 3.430 0.130 17 0 "[ . 1 . 2]" 8
261 2 24 PHE QE 2 30 LEU QD . . 2.700 2.365 2.329 2.434 . 0 0 "[ . 1 . 2]" 8
262 2 24 PHE QD 2 31 PRO HA . . 6.000 5.736 5.678 5.792 . 0 0 "[ . 1 . 2]" 8
263 2 24 PHE QD 2 31 PRO HB2 . . 5.000 5.154 5.068 5.233 0.233 1 0 "[ . 1 . 2]" 8
264 2 24 PHE QD 2 31 PRO QD . . 5.000 2.763 2.726 2.794 . 0 0 "[ . 1 . 2]" 8
265 2 24 PHE QD 2 44 SER HA . . 5.000 3.688 3.610 3.760 . 0 0 "[ . 1 . 2]" 8
266 2 24 PHE QD 2 44 SER HB2 . . 5.000 4.363 4.145 5.586 0.586 18 2 "[ . - 1 . + 2]" 8
267 2 24 PHE QD 2 44 SER HB3 . . 5.000 4.667 4.173 4.828 . 0 0 "[ . 1 . 2]" 8
268 2 29 GLN H 2 30 LEU H . . 5.000 4.483 4.420 4.500 . 0 0 "[ . 1 . 2]" 8
269 2 29 GLN HA 2 30 LEU H . . 2.700 2.369 2.289 2.383 . 0 0 "[ . 1 . 2]" 8
270 2 29 GLN QE 2 30 LEU H . . 5.000 4.517 4.509 4.548 . 0 0 "[ . 1 . 2]" 8
271 2 29 GLN QE 2 31 PRO HB2 . . 5.000 5.098 4.986 5.160 0.160 8 0 "[ . 1 . 2]" 8
272 2 29 GLN QE 2 31 PRO QD . . 5.000 3.678 3.592 3.750 . 0 0 "[ . 1 . 2]" 8
273 2 32 TYR HA 2 33 GLU H . . 2.700 2.234 2.210 2.251 . 0 0 "[ . 1 . 2]" 8
274 2 33 GLU HA 2 34 CYS H . . 2.700 2.232 2.214 2.249 . 0 0 "[ . 1 . 2]" 8
275 2 41 LYS HA 2 42 ARG H . . 2.700 2.265 2.238 2.298 . 0 0 "[ . 1 . 2]" 8
276 2 42 ARG HA 2 43 PHE H . . 2.700 2.252 2.228 2.270 . 0 0 "[ . 1 . 2]" 8
277 2 43 PHE HA 2 44 SER H . . 2.700 2.327 2.288 2.383 . 0 0 "[ . 1 . 2]" 8
278 2 33 GLU HA 2 42 ARG HA . . 2.700 2.060 2.001 2.142 . 0 0 "[ . 1 . 2]" 8
279 2 33 GLU HA 2 43 PHE H . . 3.300 3.351 3.308 3.403 0.103 5 0 "[ . 1 . 2]" 8
280 2 34 CYS H 2 42 ARG HA . . 3.300 3.069 3.000 3.133 . 0 0 "[ . 1 . 2]" 8
281 2 32 TYR H 2 44 SER HA . . 5.000 4.223 4.191 4.250 . 0 0 "[ . 1 . 2]" 8
282 2 32 TYR H 2 42 ARG HA . . 5.000 5.156 5.128 5.188 0.188 14 0 "[ . 1 . 2]" 8
283 2 32 TYR H 2 43 PHE H . . 5.000 3.446 3.413 3.477 . 0 0 "[ . 1 . 2]" 8
284 2 34 CYS H 2 41 LYS H . . 5.000 4.297 4.180 4.418 . 0 0 "[ . 1 . 2]" 8
285 2 34 CYS H 2 41 LYS O . . 2.000 1.854 1.798 1.940 . 0 0 "[ . 1 . 2]" 8
286 2 34 CYS N 2 41 LYS O . . 3.000 2.866 2.810 2.951 . 0 0 "[ . 1 . 2]" 8
287 2 32 TYR O 2 43 PHE H . . 2.000 1.779 1.756 1.795 . 0 0 "[ . 1 . 2]" 8
288 2 32 TYR O 2 43 PHE N . . 3.000 2.741 2.723 2.754 . 0 0 "[ . 1 . 2]" 8
289 2 47 SER H 2 48 ARG H . . 3.000 2.664 2.623 2.710 . 0 0 "[ . 1 . 2]" 8
290 2 48 ARG H 2 49 LEU H . . 3.000 2.543 2.504 2.594 . 0 0 "[ . 1 . 2]" 8
291 2 49 LEU H 2 50 LYS H . . 3.000 2.639 2.606 2.687 . 0 0 "[ . 1 . 2]" 8
292 2 50 LYS H 2 51 ARG H . . 3.000 2.822 2.754 2.908 . 0 0 "[ . 1 . 2]" 8
293 2 52 HIS H 2 53 GLU H . . 3.000 2.722 2.643 2.811 . 0 0 "[ . 1 . 2]" 8
294 2 53 GLU H 2 54 LYS H . . 3.000 2.821 2.788 2.857 . 0 0 "[ . 1 . 2]" 8
295 2 54 LYS H 2 55 VAL H . . 3.000 2.668 2.645 2.683 . 0 0 "[ . 1 . 2]" 8
296 2 55 VAL H 2 56 HIS H . . 3.000 2.708 2.694 2.724 . 0 0 "[ . 1 . 2]" 8
297 2 56 HIS H 2 57 ALA H . . 3.000 2.468 2.449 2.504 . 0 0 "[ . 1 . 2]" 8
298 2 57 ALA H 2 58 GLY H . . 3.000 2.547 2.517 2.586 . 0 0 "[ . 1 . 2]" 8
299 2 47 SER H 2 49 LEU H . . 5.000 4.167 3.991 4.250 . 0 0 "[ . 1 . 2]" 8
300 2 48 ARG H 2 50 LYS H . . 5.000 4.027 3.968 4.170 . 0 0 "[ . 1 . 2]" 8
301 2 49 LEU H 2 51 ARG H . . 5.000 4.086 3.996 4.180 . 0 0 "[ . 1 . 2]" 8
302 2 52 HIS H 2 54 LYS H . . 5.000 4.199 4.076 4.299 . 0 0 "[ . 1 . 2]" 8
303 2 53 GLU H 2 55 VAL H . . 5.000 4.292 4.240 4.329 . 0 0 "[ . 1 . 2]" 8
304 2 54 LYS H 2 56 HIS H . . 5.000 4.401 4.371 4.438 . 0 0 "[ . 1 . 2]" 8
305 2 55 VAL H 2 57 ALA H . . 5.000 3.940 3.911 3.981 . 0 0 "[ . 1 . 2]" 8
306 2 56 HIS H 2 58 GLY H . . 5.000 3.947 3.901 4.011 . 0 0 "[ . 1 . 2]" 8
307 2 51 ARG HA 2 53 GLU H . . 5.000 4.327 4.125 4.502 . 0 0 "[ . 1 . 2]" 8
308 2 52 HIS HA 2 54 LYS H . . 5.000 3.957 3.870 4.046 . 0 0 "[ . 1 . 2]" 8
309 2 53 GLU HA 2 55 VAL H . . 5.000 3.842 3.817 3.881 . 0 0 "[ . 1 . 2]" 8
310 2 50 LYS HA 2 53 GLU H . . 3.500 3.417 3.186 3.522 0.022 16 0 "[ . 1 . 2]" 8
311 2 51 ARG HA 2 54 LYS H . . 3.500 3.519 3.359 3.588 0.088 6 0 "[ . 1 . 2]" 8
312 2 52 HIS HA 2 55 VAL H . . 3.500 3.503 3.422 3.556 0.056 20 0 "[ . 1 . 2]" 8
313 2 53 GLU HA 2 56 HIS H . . 3.500 3.355 3.323 3.381 . 0 0 "[ . 1 . 2]" 8
314 2 54 LYS HA 2 57 ALA H . . 3.500 3.048 2.993 3.094 . 0 0 "[ . 1 . 2]" 8
315 2 49 LEU HA 2 53 GLU H . . 5.000 4.130 3.983 4.249 . 0 0 "[ . 1 . 2]" 8
316 2 53 GLU HA 2 57 ALA H . . 5.000 4.560 4.471 4.633 . 0 0 "[ . 1 . 2]" 8
317 2 46 PRO HA 2 49 LEU HB2 . . 3.300 3.595 3.308 3.759 0.459 1 0 "[ . 1 . 2]" 8
318 2 46 PRO HA 2 49 LEU HB3 . . 3.300 2.571 2.368 2.706 . 0 0 "[ . 1 . 2]" 8
319 2 47 SER HA 2 50 LYS QB . . 3.300 2.433 2.220 2.627 . 0 0 "[ . 1 . 2]" 8
320 2 48 ARG HA 2 51 ARG QB . . 3.300 2.657 2.419 2.941 . 0 0 "[ . 1 . 2]" 8
321 2 49 LEU HA 2 52 HIS HB2 . . 3.300 3.311 3.099 3.519 0.219 5 0 "[ . 1 . 2]" 8
322 2 49 LEU HA 2 52 HIS HB3 . . 3.300 2.401 2.330 2.527 . 0 0 "[ . 1 . 2]" 8
323 2 50 LYS HA 2 53 GLU QB . . 3.300 2.726 2.390 3.048 . 0 0 "[ . 1 . 2]" 8
324 2 52 HIS HA 2 55 VAL HB . . 5.000 4.139 4.010 4.243 . 0 0 "[ . 1 . 2]" 8
325 2 53 GLU HA 2 56 HIS QB . . 3.300 3.333 3.316 3.346 0.046 12 0 "[ . 1 . 2]" 8
326 2 54 LYS HA 2 57 ALA MB . . 3.300 2.173 2.144 2.233 . 0 0 "[ . 1 . 2]" 8
327 2 46 PRO O 2 50 LYS H . . 2.000 1.813 1.790 1.859 . 0 0 "[ . 1 . 2]" 8
328 2 46 PRO O 2 50 LYS N . . 3.000 2.805 2.778 2.834 . 0 0 "[ . 1 . 2]" 8
329 2 47 SER O 2 51 ARG H . . 2.000 2.024 1.961 2.065 0.065 17 0 "[ . 1 . 2]" 8
330 2 47 SER O 2 51 ARG N . . 3.000 2.953 2.884 3.018 0.018 8 0 "[ . 1 . 2]" 8
331 2 48 ARG O 2 52 HIS H . . 2.000 2.003 1.918 2.038 0.038 2 0 "[ . 1 . 2]" 8
332 2 48 ARG O 2 52 HIS N . . 3.000 2.921 2.852 2.983 . 0 0 "[ . 1 . 2]" 8
333 2 49 LEU O 2 53 GLU H . . 2.000 1.910 1.783 2.035 0.035 10 0 "[ . 1 . 2]" 8
334 2 49 LEU O 2 53 GLU N . . 3.000 2.854 2.752 2.950 . 0 0 "[ . 1 . 2]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 116
_Distance_constraint_stats_list.Viol_count 412
_Distance_constraint_stats_list.Viol_total 282.516
_Distance_constraint_stats_list.Viol_max 0.147
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0343
_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 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 C 0.013 0.010 11 0 "[ . 1 . 2]"
1 9 C 0.280 0.030 10 0 "[ . 1 . 2]"
1 10 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 G 0.280 0.030 10 0 "[ . 1 . 2]"
1 17 G 1.365 0.083 3 0 "[ . 1 . 2]"
1 18 C 0.967 0.044 18 0 "[ . 1 . 2]"
1 19 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 U 0.725 0.033 2 0 "[ . 1 . 2]"
1 21 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 U 1.086 0.039 10 0 "[ . 1 . 2]"
1 24 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 A 1.455 0.060 15 0 "[ . 1 . 2]"
1 27 U 0.373 0.036 20 0 "[ . 1 . 2]"
1 28 A 1.504 0.049 15 0 "[ . 1 . 2]"
1 29 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 U 2.141 0.059 14 0 "[ . 1 . 2]"
1 32 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 U 4.217 0.147 14 0 "[ . 1 . 2]"
1 36 G 4.217 0.147 14 0 "[ . 1 . 2]"
1 37 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 U 2.141 0.059 14 0 "[ . 1 . 2]"
1 39 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 G 1.504 0.049 15 0 "[ . 1 . 2]"
1 42 A 0.373 0.036 20 0 "[ . 1 . 2]"
1 43 A 1.455 0.060 15 0 "[ . 1 . 2]"
1 44 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 A 1.086 0.039 10 0 "[ . 1 . 2]"
1 46 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 A 0.725 0.033 2 0 "[ . 1 . 2]"
1 49 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 G 0.967 0.044 18 0 "[ . 1 . 2]"
1 51 U 1.365 0.083 3 0 "[ . 1 . 2]"
1 52 G 0.013 0.010 11 0 "[ . 1 . 2]"
1 53 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 C 0.000 0.000 . 0 "[ . 1 . 2]"
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 G O6 1 55 C H41 . . 2.000 1.888 1.867 1.905 . 0 0 "[ . 1 . 2]" 9
2 1 1 G O6 1 55 C N4 . . 3.000 2.899 2.878 2.917 . 0 0 "[ . 1 . 2]" 9
3 1 1 G H1 1 55 C N3 . . 2.000 1.980 1.964 2.000 . 0 0 "[ . 1 . 2]" 9
4 1 1 G N1 1 55 C N3 . . 3.000 2.954 2.948 2.959 . 0 0 "[ . 1 . 2]" 9
5 1 1 G H21 1 55 C O2 . . 2.000 1.851 1.834 1.869 . 0 0 "[ . 1 . 2]" 9
6 1 1 G N2 1 55 C O2 . . 3.000 2.868 2.851 2.886 . 0 0 "[ . 1 . 2]" 9
7 1 2 G O6 1 54 C H41 . . 2.000 1.872 1.859 1.886 . 0 0 "[ . 1 . 2]" 9
8 1 2 G O6 1 54 C N4 . . 3.000 2.884 2.871 2.897 . 0 0 "[ . 1 . 2]" 9
9 1 2 G H1 1 54 C N3 . . 2.000 1.921 1.910 1.935 . 0 0 "[ . 1 . 2]" 9
10 1 2 G N1 1 54 C N3 . . 3.000 2.922 2.911 2.936 . 0 0 "[ . 1 . 2]" 9
11 1 2 G H21 1 54 C O2 . . 2.000 1.821 1.816 1.837 . 0 0 "[ . 1 . 2]" 9
12 1 2 G N2 1 54 C O2 . . 3.000 2.837 2.833 2.851 . 0 0 "[ . 1 . 2]" 9
13 1 3 G O6 1 53 C H41 . . 2.000 1.902 1.896 1.912 . 0 0 "[ . 1 . 2]" 9
14 1 3 G O6 1 53 C N4 . . 3.000 2.908 2.900 2.917 . 0 0 "[ . 1 . 2]" 9
15 1 3 G H1 1 53 C N3 . . 2.000 1.942 1.928 1.954 . 0 0 "[ . 1 . 2]" 9
16 1 3 G N1 1 53 C N3 . . 3.000 2.935 2.921 2.945 . 0 0 "[ . 1 . 2]" 9
17 1 3 G H21 1 53 C O2 . . 2.000 1.820 1.807 1.835 . 0 0 "[ . 1 . 2]" 9
18 1 3 G N2 1 53 C O2 . . 3.000 2.837 2.824 2.850 . 0 0 "[ . 1 . 2]" 9
19 1 4 C H41 1 52 G O6 . . 2.000 1.966 1.874 2.010 0.010 11 0 "[ . 1 . 2]" 9
20 1 4 C N4 1 52 G O6 . . 3.000 2.958 2.878 2.990 . 0 0 "[ . 1 . 2]" 9
21 1 4 C N3 1 52 G H1 . . 2.000 1.953 1.908 1.970 . 0 0 "[ . 1 . 2]" 9
22 1 4 C N3 1 52 G N1 . . 3.000 2.939 2.902 2.955 . 0 0 "[ . 1 . 2]" 9
23 1 4 C O2 1 52 G H21 . . 2.000 1.789 1.773 1.811 . 0 0 "[ . 1 . 2]" 9
24 1 4 C O2 1 52 G N2 . . 3.000 2.799 2.778 2.824 . 0 0 "[ . 1 . 2]" 9
25 1 9 C H41 1 16 G O6 . . 2.000 1.894 1.848 1.920 . 0 0 "[ . 1 . 2]" 9
26 1 9 C N4 1 16 G O6 . . 3.000 2.894 2.850 2.922 . 0 0 "[ . 1 . 2]" 9
27 1 9 C N3 1 16 G H1 . . 2.000 2.012 1.977 2.030 0.030 10 0 "[ . 1 . 2]" 9
28 1 9 C N3 1 16 G N1 . . 3.000 2.954 2.922 2.967 . 0 0 "[ . 1 . 2]" 9
29 1 9 C O2 1 16 G H21 . . 2.000 1.880 1.847 1.910 . 0 0 "[ . 1 . 2]" 9
30 1 9 C O2 1 16 G N2 . . 3.000 2.875 2.850 2.904 . 0 0 "[ . 1 . 2]" 9
31 1 10 C H41 1 15 G O6 . . 2.000 1.935 1.917 1.961 . 0 0 "[ . 1 . 2]" 9
32 1 10 C N4 1 15 G O6 . . 3.000 2.929 2.912 2.964 . 0 0 "[ . 1 . 2]" 9
33 1 10 C N3 1 15 G H1 . . 2.000 1.946 1.923 1.973 . 0 0 "[ . 1 . 2]" 9
34 1 10 C N3 1 15 G N1 . . 3.000 2.936 2.923 2.963 . 0 0 "[ . 1 . 2]" 9
35 1 10 C O2 1 15 G H21 . . 2.000 1.806 1.795 1.833 . 0 0 "[ . 1 . 2]" 9
36 1 10 C O2 1 15 G N2 . . 3.000 2.819 2.807 2.842 . 0 0 "[ . 1 . 2]" 9
37 1 17 G O6 1 51 U H3 . . 2.000 1.785 1.768 1.794 . 0 0 "[ . 1 . 2]" 9
38 1 17 G O6 1 51 U N3 . . 3.000 2.669 2.662 2.678 . 0 0 "[ . 1 . 2]" 9
39 1 17 G H1 1 51 U O2 . . 2.000 2.056 2.045 2.083 0.083 3 0 "[ . 1 . 2]" 9
40 1 17 G N1 1 51 U O2 . . 3.000 3.012 3.001 3.037 0.037 3 0 "[ . 1 . 2]" 9
41 1 18 C H41 1 50 G O6 . . 2.000 2.010 2.003 2.018 0.018 7 0 "[ . 1 . 2]" 9
42 1 18 C N4 1 50 G O6 . . 3.000 3.005 2.995 3.016 0.016 6 0 "[ . 1 . 2]" 9
43 1 18 C N3 1 50 G H1 . . 2.000 2.033 2.011 2.044 0.044 18 0 "[ . 1 . 2]" 9
44 1 18 C N3 1 50 G N1 . . 3.000 2.979 2.969 2.984 . 0 0 "[ . 1 . 2]" 9
45 1 18 C O2 1 50 G H21 . . 2.000 1.807 1.779 1.835 . 0 0 "[ . 1 . 2]" 9
46 1 18 C O2 1 50 G N2 . . 3.000 2.784 2.769 2.807 . 0 0 "[ . 1 . 2]" 9
47 1 19 C H41 1 49 G O6 . . 2.000 1.877 1.862 1.921 . 0 0 "[ . 1 . 2]" 9
48 1 19 C N4 1 49 G O6 . . 3.000 2.889 2.875 2.925 . 0 0 "[ . 1 . 2]" 9
49 1 19 C N3 1 49 G H1 . . 2.000 1.906 1.901 1.915 . 0 0 "[ . 1 . 2]" 9
50 1 19 C N3 1 49 G N1 . . 3.000 2.910 2.902 2.920 . 0 0 "[ . 1 . 2]" 9
51 1 19 C O2 1 49 G H21 . . 2.000 1.820 1.799 1.832 . 0 0 "[ . 1 . 2]" 9
52 1 19 C O2 1 49 G N2 . . 3.000 2.833 2.803 2.847 . 0 0 "[ . 1 . 2]" 9
53 1 20 U H3 1 48 A N1 . . 2.000 1.840 1.833 1.846 . 0 0 "[ . 1 . 2]" 9
54 1 20 U N3 1 48 A N1 . . 3.000 2.838 2.832 2.848 . 0 0 "[ . 1 . 2]" 9
55 1 20 U O4 1 48 A H61 . . 2.000 2.012 1.999 2.019 0.019 2 0 "[ . 1 . 2]" 9
56 1 20 U O4 1 48 A N6 . . 3.000 3.024 3.011 3.033 0.033 2 0 "[ . 1 . 2]" 9
57 1 21 G O6 1 47 C H41 . . 2.000 1.920 1.888 1.968 . 0 0 "[ . 1 . 2]" 9
58 1 21 G O6 1 47 C N4 . . 3.000 2.929 2.897 2.974 . 0 0 "[ . 1 . 2]" 9
59 1 21 G H1 1 47 C N3 . . 2.000 1.937 1.930 1.954 . 0 0 "[ . 1 . 2]" 9
60 1 21 G N1 1 47 C N3 . . 3.000 2.939 2.928 2.955 . 0 0 "[ . 1 . 2]" 9
61 1 21 G H21 1 47 C O2 . . 2.000 1.800 1.791 1.809 . 0 0 "[ . 1 . 2]" 9
62 1 21 G N2 1 47 C O2 . . 3.000 2.815 2.802 2.824 . 0 0 "[ . 1 . 2]" 9
63 1 22 G O6 1 46 C H41 . . 2.000 1.907 1.894 1.926 . 0 0 "[ . 1 . 2]" 9
64 1 22 G O6 1 46 C N4 . . 3.000 2.912 2.899 2.932 . 0 0 "[ . 1 . 2]" 9
65 1 22 G H1 1 46 C N3 . . 2.000 1.945 1.939 1.950 . 0 0 "[ . 1 . 2]" 9
66 1 22 G N1 1 46 C N3 . . 3.000 2.942 2.934 2.951 . 0 0 "[ . 1 . 2]" 9
67 1 22 G H21 1 46 C O2 . . 2.000 1.801 1.793 1.807 . 0 0 "[ . 1 . 2]" 9
68 1 22 G N2 1 46 C O2 . . 3.000 2.818 2.810 2.824 . 0 0 "[ . 1 . 2]" 9
69 1 23 U H3 1 45 A N1 . . 2.000 1.842 1.817 1.860 . 0 0 "[ . 1 . 2]" 9
70 1 23 U N3 1 45 A N1 . . 3.000 2.817 2.806 2.840 . 0 0 "[ . 1 . 2]" 9
71 1 23 U O4 1 45 A H61 . . 2.000 2.024 2.008 2.033 0.033 10 0 "[ . 1 . 2]" 9
72 1 23 U O4 1 45 A N6 . . 3.000 3.031 3.017 3.039 0.039 10 0 "[ . 1 . 2]" 9
73 1 24 U H3 1 44 U O4 . . 2.000 1.796 1.788 1.807 . 0 0 "[ . 1 . 2]" 9
74 1 24 U N3 1 44 U O4 . . 3.000 2.795 2.787 2.807 . 0 0 "[ . 1 . 2]" 9
75 1 24 U O2 1 44 U H3 . . 2.000 1.895 1.884 1.905 . 0 0 "[ . 1 . 2]" 9
76 1 24 U O2 1 44 U N3 . . 3.000 2.895 2.884 2.904 . 0 0 "[ . 1 . 2]" 9
77 1 25 A H62 1 43 A N7 . . 2.000 1.981 1.935 2.031 0.031 2 0 "[ . 1 . 2]" 9
78 1 25 A N6 1 43 A N7 . . 3.000 2.896 2.852 2.973 . 0 0 "[ . 1 . 2]" 9
79 1 25 A N7 1 43 A H62 . . 2.000 2.052 2.041 2.060 0.060 15 0 "[ . 1 . 2]" 9
80 1 25 A N7 1 43 A N6 . . 3.000 3.017 2.998 3.029 0.029 6 0 "[ . 1 . 2]" 9
81 1 27 U H3 1 42 A N7 . . 2.000 1.889 1.869 1.898 . 0 0 "[ . 1 . 2]" 9
82 1 27 U N3 1 42 A N7 . . 3.000 2.834 2.818 2.844 . 0 0 "[ . 1 . 2]" 9
83 1 27 U O2 1 42 A H62 . . 2.000 2.018 1.987 2.036 0.036 20 0 "[ . 1 . 2]" 9
84 1 27 U O2 1 42 A N6 . . 3.000 2.939 2.912 2.982 . 0 0 "[ . 1 . 2]" 9
85 1 28 A H62 1 41 G N3 . . 2.000 2.031 2.023 2.036 0.036 18 0 "[ . 1 . 2]" 9
86 1 28 A N6 1 41 G N3 . . 3.000 2.911 2.900 2.921 . 0 0 "[ . 1 . 2]" 9
87 1 28 A N7 1 41 G H22 . . 2.000 2.033 2.018 2.049 0.049 15 0 "[ . 1 . 2]" 9
88 1 28 A N7 1 41 G N2 . . 3.000 3.010 2.987 3.030 0.030 15 0 "[ . 1 . 2]" 9
89 1 29 C H41 1 40 G O6 . . 2.000 1.856 1.845 1.868 . 0 0 "[ . 1 . 2]" 9
90 1 29 C N4 1 40 G O6 . . 3.000 2.866 2.854 2.877 . 0 0 "[ . 1 . 2]" 9
91 1 29 C N3 1 40 G H1 . . 2.000 1.919 1.914 1.927 . 0 0 "[ . 1 . 2]" 9
92 1 29 C N3 1 40 G N1 . . 3.000 2.923 2.919 2.930 . 0 0 "[ . 1 . 2]" 9
93 1 29 C O2 1 40 G H21 . . 2.000 1.833 1.810 1.846 . 0 0 "[ . 1 . 2]" 9
94 1 29 C O2 1 40 G N2 . . 3.000 2.839 2.819 2.854 . 0 0 "[ . 1 . 2]" 9
95 1 30 C H41 1 39 G O6 . . 2.000 1.965 1.946 1.995 . 0 0 "[ . 1 . 2]" 9
96 1 30 C N4 1 39 G O6 . . 3.000 2.954 2.939 2.981 . 0 0 "[ . 1 . 2]" 9
97 1 30 C N3 1 39 G H1 . . 2.000 1.933 1.919 1.949 . 0 0 "[ . 1 . 2]" 9
98 1 30 C N3 1 39 G N1 . . 3.000 2.918 2.907 2.931 . 0 0 "[ . 1 . 2]" 9
99 1 30 C O2 1 39 G H21 . . 2.000 1.780 1.778 1.782 . 0 0 "[ . 1 . 2]" 9
100 1 30 C O2 1 39 G N2 . . 3.000 2.785 2.782 2.787 . 0 0 "[ . 1 . 2]" 9
101 1 31 U H3 1 38 U O2 . . 2.000 2.053 2.050 2.056 0.056 11 0 "[ . 1 . 2]" 9
102 1 31 U N3 1 38 U O2 . . 3.000 3.054 3.049 3.059 0.059 14 0 "[ . 1 . 2]" 9
103 1 31 U O4 1 38 U H3 . . 2.000 1.772 1.769 1.774 . 0 0 "[ . 1 . 2]" 9
104 1 31 U O4 1 38 U N3 . . 3.000 2.773 2.772 2.776 . 0 0 "[ . 1 . 2]" 9
105 1 32 C H41 1 37 G O6 . . 2.000 1.954 1.951 1.958 . 0 0 "[ . 1 . 2]" 9
106 1 32 C N4 1 37 G O6 . . 3.000 2.943 2.938 2.946 . 0 0 "[ . 1 . 2]" 9
107 1 32 C N3 1 37 G H1 . . 2.000 1.905 1.904 1.907 . 0 0 "[ . 1 . 2]" 9
108 1 32 C N3 1 37 G N1 . . 3.000 2.901 2.899 2.903 . 0 0 "[ . 1 . 2]" 9
109 1 32 C O2 1 37 G H21 . . 2.000 1.791 1.788 1.792 . 0 0 "[ . 1 . 2]" 9
110 1 32 C O2 1 37 G N2 . . 3.000 2.798 2.796 2.799 . 0 0 "[ . 1 . 2]" 9
111 1 33 U O2 1 36 G H1 . . 2.000 2.013 2.008 2.015 0.015 4 0 "[ . 1 . 2]" 9
112 1 33 U O2 1 36 G N1 . . 3.000 2.947 2.943 2.950 . 0 0 "[ . 1 . 2]" 9
113 1 33 U O2 1 36 G H21 . . 2.000 2.054 2.051 2.058 0.058 5 0 "[ . 1 . 2]" 9
114 1 33 U O2 1 36 G N2 . . 3.000 2.976 2.974 2.979 . 0 0 "[ . 1 . 2]" 9
115 1 33 U HO2' 1 36 G O6 . . 2.000 2.145 2.142 2.147 0.147 14 0 "[ . 1 . 2]" 9
116 1 33 U O2' 1 36 G O6 . . 3.000 2.851 2.849 2.852 . 0 0 "[ . 1 . 2]" 9
stop_
save_
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