NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
525319 |
2lev   |
17729 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lev
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 190
_TA_constraint_stats_list.Viol_count 311
_TA_constraint_stats_list.Viol_total 16070.32
_TA_constraint_stats_list.Viol_max 20.81
_TA_constraint_stats_list.Viol_rms 1.14
_TA_constraint_stats_list.Viol_average_all_restraints 0.21
_TA_constraint_stats_list.Viol_average_violations_only 2.58
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 1 SER N 1 1 SER CA 1 1 SER C 1 2 HIS N -85.00 -155.00 146.43 106.55 173.61 . . 0 "[ . 1 . 2]"
2 . 1 1 SER C 1 2 HIS N 1 2 HIS CA 1 2 HIS C 45.00 -45.00 -117.29 -159.66 -76.53 . . 0 "[ . 1 . 2]"
3 . 1 1 SER C 1 2 HIS N 1 2 HIS CA 1 2 HIS C 175.00 75.00 -117.29 -159.66 -76.53 . . 0 "[ . 1 . 2]"
4 . 1 2 HIS N 1 2 HIS CA 1 2 HIS CB 1 2 HIS CG 25.00 -25.00 35.12 -147.69 72.40 . . 0 "[ . 1 . 2]"
5 . 1 2 HIS N 1 2 HIS CA 1 2 HIS CB 1 2 HIS CG 155.00 95.00 35.12 -147.69 72.40 . . 0 "[ . 1 . 2]"
6 . 1 2 HIS N 1 2 HIS CA 1 2 HIS C 1 3 HIS N -85.00 -165.00 116.02 84.46 84.09 . . 0 "[ . 1 . 2]"
7 . 1 2 HIS C 1 3 HIS N 1 3 HIS CA 1 3 HIS C 45.00 -45.00 40.84 -91.55 -96.96 . . 0 "[ . 1 . 2]"
8 . 1 2 HIS C 1 3 HIS N 1 3 HIS CA 1 3 HIS C 175.00 75.00 40.84 -91.55 -96.96 . . 0 "[ . 1 . 2]"
9 . 1 3 HIS N 1 3 HIS CA 1 3 HIS CB 1 3 HIS CG 25.00 -25.00 153.82 48.74 44.47 . . 0 "[ . 1 . 2]"
10 . 1 3 HIS N 1 3 HIS CA 1 3 HIS CB 1 3 HIS CG 155.00 95.00 153.82 48.74 44.47 . . 0 "[ . 1 . 2]"
11 . 1 3 HIS N 1 3 HIS CA 1 3 HIS C 1 4 HIS N -85.00 -165.00 115.15 93.05 88.53 . . 0 "[ . 1 . 2]"
12 . 1 3 HIS C 1 4 HIS N 1 4 HIS CA 1 4 HIS C 45.00 -45.00 -128.53 -148.04 -152.95 . . 0 "[ . 1 . 2]"
13 . 1 3 HIS C 1 4 HIS N 1 4 HIS CA 1 4 HIS C 175.00 75.00 -128.53 -148.04 -152.95 . . 0 "[ . 1 . 2]"
14 . 1 4 HIS N 1 4 HIS CA 1 4 HIS CB 1 4 HIS CG 25.00 -25.00 -144.51 -175.54 -70.53 . . 0 "[ . 1 . 2]"
15 . 1 4 HIS N 1 4 HIS CA 1 4 HIS CB 1 4 HIS CG 155.00 95.00 -144.51 -175.54 -70.53 . . 0 "[ . 1 . 2]"
16 . 1 4 HIS N 1 4 HIS CA 1 4 HIS C 1 5 HIS N -85.00 -165.00 145.68 119.16 168.12 . . 0 "[ . 1 . 2]"
17 . 1 4 HIS C 1 5 HIS N 1 5 HIS CA 1 5 HIS C 45.00 -45.00 -65.75 -62.76 -65.74 . . 0 "[ . 1 . 2]"
18 . 1 4 HIS C 1 5 HIS N 1 5 HIS CA 1 5 HIS C 175.00 75.00 -65.75 -62.76 -65.74 . . 0 "[ . 1 . 2]"
19 . 1 5 HIS N 1 5 HIS CA 1 5 HIS CB 1 5 HIS CG 25.00 -25.00 -135.85 -166.64 -92.15 . . 0 "[ . 1 . 2]"
20 . 1 5 HIS N 1 5 HIS CA 1 5 HIS CB 1 5 HIS CG 155.00 95.00 -135.85 -166.64 -92.15 . . 0 "[ . 1 . 2]"
21 . 1 5 HIS N 1 5 HIS CA 1 5 HIS C 1 6 HIS N -85.00 -165.00 166.05 -49.97 -54.57 . . 0 "[ . 1 . 2]"
22 . 1 5 HIS C 1 6 HIS N 1 6 HIS CA 1 6 HIS C 45.00 -45.00 -19.70 -77.08 70.60 . . 0 "[ . 1 . 2]"
23 . 1 5 HIS C 1 6 HIS N 1 6 HIS CA 1 6 HIS C 175.00 75.00 -19.70 -77.08 70.60 . . 0 "[ . 1 . 2]"
24 . 1 6 HIS N 1 6 HIS CA 1 6 HIS CB 1 6 HIS CG 25.00 -25.00 -168.82 -150.60 -156.72 . . 0 "[ . 1 . 2]"
25 . 1 6 HIS N 1 6 HIS CA 1 6 HIS CB 1 6 HIS CG 155.00 95.00 -168.82 -150.60 -156.72 . . 0 "[ . 1 . 2]"
26 . 1 6 HIS N 1 6 HIS CA 1 6 HIS C 1 7 HIS N -85.00 -165.00 65.18 2.51 -2.61 . . 0 "[ . 1 . 2]"
27 . 1 6 HIS C 1 7 HIS N 1 7 HIS CA 1 7 HIS C 45.00 -45.00 -172.56 -167.98 44.15 1.78 18 0 "[ . 1 . 2]"
28 . 1 6 HIS C 1 7 HIS N 1 7 HIS CA 1 7 HIS C 175.00 75.00 -172.56 -167.98 44.15 . . 0 "[ . 1 . 2]"
29 . 1 7 HIS N 1 7 HIS CA 1 7 HIS CB 1 7 HIS CG 25.00 -25.00 -84.50 42.49 36.73 1.06 8 0 "[ . 1 . 2]"
30 . 1 7 HIS N 1 7 HIS CA 1 7 HIS CB 1 7 HIS CG 155.00 95.00 -84.50 42.49 36.73 . . 0 "[ . 1 . 2]"
31 . 1 7 HIS N 1 7 HIS CA 1 7 HIS C 1 8 SER N -85.00 -165.00 72.42 35.74 33.33 . . 0 "[ . 1 . 2]"
32 . 1 7 HIS C 1 8 SER N 1 8 SER CA 1 8 SER C 45.00 -45.00 -78.92 -100.26 -100.91 . . 0 "[ . 1 . 2]"
33 . 1 7 HIS C 1 8 SER N 1 8 SER CA 1 8 SER C 175.00 75.00 -78.92 -100.26 -100.91 . . 0 "[ . 1 . 2]"
34 . 1 7 HIS C 1 8 SER N 1 8 SER CA 1 8 SER C -100.20 -45.60 -78.92 -100.26 -100.91 1.39 9 0 "[ . 1 . 2]"
35 . 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 MET N -85.00 -155.00 -55.31 -60.05 -60.67 . . 0 "[ . 1 . 2]"
36 . 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 MET N -58.90 -10.50 -55.31 -60.05 -60.67 3.26 1 0 "[ . 1 . 2]"
37 . 1 9 MET C 1 10 GLY N 1 10 GLY CA 1 10 GLY C 45.00 -45.00 -137.01 147.48 -67.05 . . 0 "[ . 1 . 2]"
38 . 1 14 LYS C 1 15 GLY N 1 15 GLY CA 1 15 GLY C 45.00 -45.00 -47.84 -64.94 -67.87 11.81 5 12 "[ * + * **** -** **]"
39 . 1 15 GLY N 1 15 GLY CA 1 15 GLY C 1 16 VAL N -125.00 125.00 103.70 96.88 88.09 . . 0 "[ . 1 . 2]"
40 . 1 20 ASN C 1 21 GLU N 1 21 GLU CA 1 21 GLU C 45.00 -45.00 -57.27 -55.49 -56.18 . . 0 "[ . 1 . 2]"
41 . 1 20 ASN C 1 21 GLU N 1 21 GLU CA 1 21 GLU C 175.00 75.00 -57.27 -55.49 -56.18 . . 0 "[ . 1 . 2]"
42 . 1 20 ASN C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -120.00 -20.00 -57.27 -55.49 -56.18 . . 0 "[ . 1 . 2]"
43 . 1 20 ASN C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -72.10 -48.10 -57.27 -55.49 -56.18 . . 0 "[ . 1 . 2]"
44 . 1 21 GLU N 1 21 GLU CA 1 21 GLU CB 1 21 GLU CG 25.00 -25.00 37.07 23.47 64.14 1.53 6 0 "[ . 1 . 2]"
45 . 1 21 GLU N 1 21 GLU CA 1 21 GLU CB 1 21 GLU CG 155.00 95.00 37.07 23.47 64.14 . . 0 "[ . 1 . 2]"
46 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 GLU N -85.00 165.00 -26.96 -22.13 -23.75 . . 0 "[ . 1 . 2]"
47 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 GLU N -100.00 0.00 -26.96 -22.13 -23.75 . . 0 "[ . 1 . 2]"
48 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 GLU N -39.40 -11.20 -26.96 -22.13 -23.75 . . 0 "[ . 1 . 2]"
49 . 1 25 THR C 1 26 TRP N 1 26 TRP CA 1 26 TRP C 45.00 -45.00 -121.26 -119.45 -119.54 . . 0 "[ . 1 . 2]"
50 . 1 25 THR C 1 26 TRP N 1 26 TRP CA 1 26 TRP C 175.00 75.00 -121.26 -119.45 -119.54 . . 0 "[ . 1 . 2]"
51 . 1 25 THR C 1 26 TRP N 1 26 TRP CA 1 26 TRP C -157.90 -109.70 -121.26 -119.45 -119.54 0.59 14 0 "[ . 1 . 2]"
52 . 1 26 TRP N 1 26 TRP CA 1 26 TRP CB 1 26 TRP CG 25.00 -25.00 176.66 174.60 173.18 . . 0 "[ . 1 . 2]"
53 . 1 26 TRP N 1 26 TRP CA 1 26 TRP CB 1 26 TRP CG 155.00 95.00 176.66 174.60 173.18 . . 0 "[ . 1 . 2]"
54 . 1 26 TRP N 1 26 TRP CA 1 26 TRP C 1 27 SER N -85.00 -165.00 130.21 119.96 144.12 . . 0 "[ . 1 . 2]"
55 . 1 26 TRP N 1 26 TRP CA 1 26 TRP C 1 27 SER N 105.70 161.70 130.21 119.96 144.12 . . 0 "[ . 1 . 2]"
56 . 1 26 TRP C 1 27 SER N 1 27 SER CA 1 27 SER C 45.00 -45.00 -69.56 -64.46 -65.41 . . 0 "[ . 1 . 2]"
57 . 1 26 TRP C 1 27 SER N 1 27 SER CA 1 27 SER C 175.00 75.00 -69.56 -64.46 -65.41 . . 0 "[ . 1 . 2]"
58 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 GLY N -85.00 -155.00 -33.90 -61.80 -15.82 . . 0 "[ . 1 . 2]"
59 . 1 27 SER C 1 28 GLY N 1 28 GLY CA 1 28 GLY C 45.00 -45.00 107.51 99.62 96.89 . . 0 "[ . 1 . 2]"
60 . 1 29 VAL C 1 30 GLY N 1 30 GLY CA 1 30 GLY C 45.00 -45.00 63.49 43.96 76.45 1.04 3 0 "[ . 1 . 2]"
61 . 1 30 GLY C 1 31 ARG N 1 31 ARG CA 1 31 ARG C 45.00 -45.00 10.61 -118.73 -133.33 1.59 15 0 "[ . 1 . 2]"
62 . 1 30 GLY C 1 31 ARG N 1 31 ARG CA 1 31 ARG C 175.00 75.00 10.61 -118.73 -133.33 . . 0 "[ . 1 . 2]"
63 . 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 25.00 -25.00 19.49 -23.06 64.91 9.19 15 7 "[ * * - 1* * + *]"
64 . 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 155.00 95.00 19.49 -23.06 64.91 . . 0 "[ . 1 . 2]"
65 . 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 GLN N -85.00 -165.00 -177.18 144.53 -161.22 3.78 16 0 "[ . 1 . 2]"
66 . 1 31 ARG C 1 32 GLN N 1 32 GLN CA 1 32 GLN C 45.00 -45.00 -128.17 -81.95 -83.06 . . 0 "[ . 1 . 2]"
67 . 1 31 ARG C 1 32 GLN N 1 32 GLN CA 1 32 GLN C 175.00 75.00 -128.17 -81.95 -83.06 . . 0 "[ . 1 . 2]"
68 . 1 31 ARG C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -157.60 -37.40 -128.17 -81.95 -83.06 . . 0 "[ . 1 . 2]"
69 . 1 32 GLN N 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG 25.00 -25.00 54.24 48.43 41.99 . . 0 "[ . 1 . 2]"
70 . 1 32 GLN N 1 32 GLN CA 1 32 GLN CB 1 32 GLN CG 165.00 85.00 54.24 48.43 41.99 5.26 16 1 "[ . 1 .+ 2]"
71 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 PRO N 55.00 165.00 148.11 140.01 155.83 . . 0 "[ . 1 . 2]"
72 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 PRO N 145.00 85.00 148.11 140.01 155.83 4.99 16 0 "[ . 1 . 2]"
73 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 PRO N 68.60 -171.00 148.11 140.01 155.83 . . 0 "[ . 1 . 2]"
74 . 1 33 PRO N 1 33 PRO CA 1 33 PRO C 1 34 ARG N 65.00 5.00 159.77 136.92 179.85 . . 0 "[ . 1 . 2]"
75 . 1 33 PRO N 1 33 PRO CA 1 33 PRO C 1 34 ARG N -55.00 -165.00 159.77 136.92 179.85 . . 0 "[ . 1 . 2]"
76 . 1 33 PRO C 1 34 ARG N 1 34 ARG CA 1 34 ARG C 45.00 -45.00 -56.42 -69.29 -46.61 . . 0 "[ . 1 . 2]"
77 . 1 33 PRO C 1 34 ARG N 1 34 ARG CA 1 34 ARG C 175.00 75.00 -56.42 -69.29 -46.61 . . 0 "[ . 1 . 2]"
78 . 1 33 PRO C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -120.00 -20.00 -56.42 -69.29 -46.61 . . 0 "[ . 1 . 2]"
79 . 1 33 PRO C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -69.90 -41.10 -56.42 -69.29 -46.61 . . 0 "[ . 1 . 2]"
80 . 1 34 ARG N 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG 25.00 -25.00 40.85 -83.25 78.10 . . 0 "[ . 1 . 2]"
81 . 1 34 ARG N 1 34 ARG CA 1 34 ARG CB 1 34 ARG CG 155.00 95.00 40.85 -83.25 78.10 . . 0 "[ . 1 . 2]"
82 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 TRP N -85.00 -165.00 -35.61 -53.63 -22.33 . . 0 "[ . 1 . 2]"
83 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 TRP N -100.00 0.00 -35.61 -53.63 -22.33 . . 0 "[ . 1 . 2]"
84 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 TRP N -52.50 -23.90 -35.61 -53.63 -22.33 1.57 10 0 "[ . 1 . 2]"
85 . 1 34 ARG C 1 35 TRP N 1 35 TRP CA 1 35 TRP C 45.00 -45.00 -73.52 -88.08 -58.69 . . 0 "[ . 1 . 2]"
86 . 1 34 ARG C 1 35 TRP N 1 35 TRP CA 1 35 TRP C 175.00 75.00 -73.52 -88.08 -58.69 . . 0 "[ . 1 . 2]"
87 . 1 34 ARG C 1 35 TRP N 1 35 TRP CA 1 35 TRP C -113.50 -32.10 -73.52 -88.08 -58.69 . . 0 "[ . 1 . 2]"
88 . 1 35 TRP N 1 35 TRP CA 1 35 TRP CB 1 35 TRP CG 35.00 -35.00 53.32 55.82 54.13 . . 0 "[ . 1 . 2]"
89 . 1 35 TRP N 1 35 TRP CA 1 35 TRP CB 1 35 TRP CG 155.00 85.00 53.32 55.82 54.13 . . 0 "[ . 1 . 2]"
90 . 1 35 TRP N 1 35 TRP CA 1 35 TRP C 1 36 LEU N -85.00 -165.00 -19.28 -18.86 -20.67 . . 0 "[ . 1 . 2]"
91 . 1 35 TRP N 1 35 TRP CA 1 35 TRP C 1 36 LEU N -62.40 17.20 -19.28 -18.86 -20.67 . . 0 "[ . 1 . 2]"
92 . 1 37 LYS C 1 38 GLU N 1 38 GLU CA 1 38 GLU C 45.00 -45.00 -62.24 -57.45 -59.23 . . 0 "[ . 1 . 2]"
93 . 1 37 LYS C 1 38 GLU N 1 38 GLU CA 1 38 GLU C 175.00 75.00 -62.24 -57.45 -59.23 . . 0 "[ . 1 . 2]"
94 . 1 37 LYS C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -120.00 -20.00 -62.24 -57.45 -59.23 . . 0 "[ . 1 . 2]"
95 . 1 37 LYS C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -69.70 -49.70 -62.24 -57.45 -59.23 . . 0 "[ . 1 . 2]"
96 . 1 38 GLU N 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 25.00 -25.00 -42.89 -44.93 -46.83 0.30 20 0 "[ . 1 . 2]"
97 . 1 38 GLU N 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 155.00 95.00 -42.89 -44.93 -46.83 . . 0 "[ . 1 . 2]"
98 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ALA N -85.00 125.00 -45.04 -51.87 -36.50 . . 0 "[ . 1 . 2]"
99 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ALA N -100.00 0.00 -45.04 -51.87 -36.50 . . 0 "[ . 1 . 2]"
100 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ALA N -51.60 -31.60 -45.04 -51.87 -36.50 0.27 11 0 "[ . 1 . 2]"
101 . 1 45 LYS C 1 46 LYS N 1 46 LYS CA 1 46 LYS C 45.00 -45.00 -62.32 -59.37 -59.56 . . 0 "[ . 1 . 2]"
102 . 1 45 LYS C 1 46 LYS N 1 46 LYS CA 1 46 LYS C 175.00 75.00 -62.32 -59.37 -59.56 . . 0 "[ . 1 . 2]"
103 . 1 45 LYS C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -68.30 -46.10 -62.32 -59.37 -59.56 . . 0 "[ . 1 . 2]"
104 . 1 46 LYS N 1 46 LYS CA 1 46 LYS CB 1 46 LYS CG 25.00 -25.00 49.93 57.15 55.46 . . 0 "[ . 1 . 2]"
105 . 1 46 LYS N 1 46 LYS CA 1 46 LYS CB 1 46 LYS CG 155.00 95.00 49.93 57.15 55.46 . . 0 "[ . 1 . 2]"
106 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 GLU N 85.00 35.00 -30.13 -34.42 -27.43 . . 0 "[ . 1 . 2]"
107 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 GLU N -85.00 -155.00 -30.13 -34.42 -27.43 . . 0 "[ . 1 . 2]"
108 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 GLU N -60.00 -28.80 -30.13 -34.42 -27.43 1.37 3 0 "[ . 1 . 2]"
109 . 1 46 LYS C 1 47 GLU N 1 47 GLU CA 1 47 GLU C 45.00 -45.00 -63.03 -65.61 -58.36 . . 0 "[ . 1 . 2]"
110 . 1 46 LYS C 1 47 GLU N 1 47 GLU CA 1 47 GLU C 175.00 75.00 -63.03 -65.61 -58.36 . . 0 "[ . 1 . 2]"
111 . 1 46 LYS C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -120.00 -20.00 -63.03 -65.61 -58.36 . . 0 "[ . 1 . 2]"
112 . 1 46 LYS C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -76.90 -47.50 -63.03 -65.61 -58.36 . . 0 "[ . 1 . 2]"
113 . 1 47 GLU N 1 47 GLU CA 1 47 GLU CB 1 47 GLU CG 25.00 -25.00 -61.18 -44.83 -48.60 . . 0 "[ . 1 . 2]"
114 . 1 47 GLU N 1 47 GLU CA 1 47 GLU CB 1 47 GLU CG 155.00 95.00 -61.18 -44.83 -48.60 . . 0 "[ . 1 . 2]"
115 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 ASP N -85.00 155.00 -26.92 -28.10 -25.98 . . 0 "[ . 1 . 2]"
116 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 ASP N -100.00 0.00 -26.92 -28.10 -25.98 . . 0 "[ . 1 . 2]"
117 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 ASP N -54.70 -29.30 -26.92 -28.10 -25.98 3.32 9 0 "[ . 1 . 2]"
118 . 1 56 GLU C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -120.00 80.00 -92.32 -120.88 -65.20 0.88 18 0 "[ . 1 . 2]"
119 . 1 39 ALA C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -120.00 -20.00 -69.07 -74.60 -62.53 . . 0 "[ . 1 . 2]"
120 . 1 39 ALA C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -79.00 -54.60 -69.07 -74.60 -62.53 . . 0 "[ . 1 . 2]"
121 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LEU N -100.00 0.00 -45.76 -45.74 -46.30 . . 0 "[ . 1 . 2]"
122 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LEU N -49.10 -22.10 -45.76 -45.74 -46.30 0.50 16 0 "[ . 1 . 2]"
123 . 1 16 VAL C 1 17 TYR N 1 17 TYR CA 1 17 TYR C 160.00 -80.00 -150.99 -155.58 -156.03 . . 0 "[ . 1 . 2]"
124 . 1 17 TYR N 1 17 TYR CA 1 17 TYR C 1 18 TYR N 40.00 -140.00 146.62 166.53 164.83 . . 0 "[ . 1 . 2]"
125 . 1 47 GLU C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -120.00 -20.00 -61.84 -63.28 -64.60 . . 0 "[ . 1 . 2]"
126 . 1 47 GLU C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -76.80 -56.40 -61.84 -63.28 -64.60 0.51 3 0 "[ . 1 . 2]"
127 . 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 PHE N -100.00 0.00 -31.94 -46.28 -15.36 . . 0 "[ . 1 . 2]"
128 . 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 PHE N -50.00 -16.80 -31.94 -46.28 -15.36 1.44 1 0 "[ . 1 . 2]"
129 . 1 36 LEU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -120.00 -20.00 -64.89 -68.96 -60.02 . . 0 "[ . 1 . 2]"
130 . 1 36 LEU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -70.90 -50.90 -64.89 -68.96 -60.02 . . 0 "[ . 1 . 2]"
131 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 GLU N -100.00 0.00 -36.86 -47.62 -28.28 . . 0 "[ . 1 . 2]"
132 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 GLU N -59.00 -20.60 -36.86 -47.62 -28.28 . . 0 "[ . 1 . 2]"
133 . 1 24 GLN C 1 25 THR N 1 25 THR CA 1 25 THR C 160.00 -80.00 -128.06 -138.50 -116.89 . . 0 "[ . 1 . 2]"
134 . 1 24 GLN C 1 25 THR N 1 25 THR CA 1 25 THR C 177.70 -107.90 -128.06 -138.50 -116.89 . . 0 "[ . 1 . 2]"
135 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 TRP N 40.00 -140.00 144.42 133.59 158.98 . . 0 "[ . 1 . 2]"
136 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 TRP N 134.60 176.60 144.42 133.59 158.98 1.01 15 0 "[ . 1 . 2]"
137 . 1 19 ARG C 1 20 ASN N 1 20 ASN CA 1 20 ASN C 160.00 -80.00 -127.91 -148.02 -102.41 . . 0 "[ . 1 . 2]"
138 . 1 19 ARG C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -147.60 -50.60 -127.91 -148.02 -102.41 0.42 13 0 "[ . 1 . 2]"
139 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 GLU N 40.00 -140.00 -178.86 -175.74 -177.31 . . 0 "[ . 1 . 2]"
140 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 GLU N 142.60 -153.20 -178.86 -175.74 -177.31 . . 0 "[ . 1 . 2]"
141 . 1 38 GLU C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -120.00 -20.00 -70.39 -74.95 -64.70 . . 0 "[ . 1 . 2]"
142 . 1 38 GLU C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -75.40 -52.60 -70.39 -74.95 -64.70 . . 0 "[ . 1 . 2]"
143 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 LEU N -100.00 0.00 -32.01 -33.37 -33.79 . . 0 "[ . 1 . 2]"
144 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 LEU N -56.20 -27.80 -32.01 -33.37 -33.79 0.60 16 0 "[ . 1 . 2]"
145 . 1 15 GLY C 1 16 VAL N 1 16 VAL CA 1 16 VAL C 160.00 -80.00 -106.89 -127.71 -90.38 . . 0 "[ . 1 . 2]"
146 . 1 15 GLY C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -135.80 -78.60 -106.89 -127.71 -90.38 . . 0 "[ . 1 . 2]"
147 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 TYR N 40.00 -140.00 155.04 128.29 -179.65 . . 0 "[ . 1 . 2]"
148 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 TYR N 129.20 179.80 155.04 128.29 -179.65 0.91 18 0 "[ . 1 . 2]"
149 . 1 28 GLY C 1 29 VAL N 1 29 VAL CA 1 29 VAL C 160.00 -80.00 -118.93 -138.91 -86.73 . . 0 "[ . 1 . 2]"
150 . 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 GLY N 40.00 -140.00 152.07 134.38 165.05 . . 0 "[ . 1 . 2]"
151 . 1 40 LEU C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -120.00 -20.00 -75.22 -76.60 -78.16 . . 0 "[ . 1 . 2]"
152 . 1 40 LEU C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -79.00 -57.20 -75.22 -76.60 -78.16 0.13 1 0 "[ . 1 . 2]"
153 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ASN N -100.00 0.00 -7.26 -6.46 -6.59 . . 0 "[ . 1 . 2]"
154 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ASN N -50.60 -7.60 -7.26 -6.46 -6.59 1.84 17 0 "[ . 1 . 2]"
155 . 1 11 ASN C 1 12 SER N 1 12 SER CA 1 12 SER C -156.00 -36.00 -107.10 -143.94 -151.36 . . 0 "[ . 1 . 2]"
156 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 SER N -100.00 20.00 -2.02 -10.13 -16.39 1.65 19 0 "[ . 1 . 2]"
157 . 1 12 SER C 1 13 SER N 1 13 SER CA 1 13 SER C -131.00 -11.00 -67.70 -111.70 -39.95 . . 0 "[ . 1 . 2]"
158 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 LYS N 14.00 134.00 108.86 13.29 154.81 20.81 5 12 "[ * + * ***- *** **]"
159 . 1 13 SER C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -179.00 -59.00 -87.32 -148.42 -162.91 11.30 20 6 "[ * - * * .* +]"
160 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 GLY N 80.90 -179.10 -174.99 174.02 -171.08 8.02 12 12 "[ * * - **+* *** **]"
161 . 1 17 TYR C 1 18 TYR N 1 18 TYR CA 1 18 TYR C -158.10 -88.70 -93.67 -113.27 -85.22 3.48 5 0 "[ . 1 . 2]"
162 . 1 18 TYR N 1 18 TYR CA 1 18 TYR C 1 19 ARG N 112.80 172.00 132.08 140.01 136.87 . . 0 "[ . 1 . 2]"
163 . 1 18 TYR C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -154.80 -110.40 -122.89 -147.51 -109.20 1.20 16 0 "[ . 1 . 2]"
164 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 ASN N 124.60 159.80 143.38 128.44 126.53 0.85 6 0 "[ . 1 . 2]"
165 . 1 21 GLU C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -100.60 -71.20 -71.31 -70.38 -70.82 1.95 17 0 "[ . 1 . 2]"
166 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 GLY N -20.70 15.70 -16.25 -21.51 -9.62 0.81 14 0 "[ . 1 . 2]"
167 . 1 22 GLU C 1 23 GLY N 1 23 GLY CA 1 23 GLY C 64.30 127.30 88.91 79.02 105.41 . . 0 "[ . 1 . 2]"
168 . 1 23 GLY N 1 23 GLY CA 1 23 GLY C 1 24 GLN N -18.90 26.90 -6.59 -0.88 -4.92 2.29 14 0 "[ . 1 . 2]"
169 . 1 23 GLY C 1 24 GLN N 1 24 GLN CA 1 24 GLN C -142.10 -36.90 -75.41 -94.80 -65.70 . . 0 "[ . 1 . 2]"
170 . 1 24 GLN N 1 24 GLN CA 1 24 GLN C 1 25 THR N 118.20 -177.20 155.20 154.17 149.22 . . 0 "[ . 1 . 2]"
171 . 1 35 TRP C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -86.30 -52.50 -65.06 -64.50 -64.76 . . 0 "[ . 1 . 2]"
172 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LYS N -55.40 -16.20 -45.47 -37.71 -40.74 . . 0 "[ . 1 . 2]"
173 . 1 41 LEU C 1 42 ASN N 1 42 ASN CA 1 42 ASN C -109.60 -64.00 -69.25 -68.43 -70.26 0.24 18 0 "[ . 1 . 2]"
174 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 GLY N -21.90 20.50 -13.19 -23.64 5.12 1.74 16 0 "[ . 1 . 2]"
175 . 1 42 ASN C 1 43 GLY N 1 43 GLY CA 1 43 GLY C 68.10 112.50 108.87 112.46 112.17 1.08 18 0 "[ . 1 . 2]"
176 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 MET N 0.20 20.20 10.18 -0.55 21.80 1.60 19 0 "[ . 1 . 2]"
177 . 1 48 ASP C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -131.90 -81.10 -115.48 -117.29 -118.38 . . 0 "[ . 1 . 2]"
178 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 LEU N -44.40 44.80 34.42 33.41 32.82 . . 0 "[ . 1 . 2]"
179 . 1 49 PHE C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -96.80 -50.20 -84.11 -86.64 -88.41 . . 0 "[ . 1 . 2]"
180 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 VAL N 76.00 168.00 111.14 110.67 108.17 . . 0 "[ . 1 . 2]"
181 . 1 50 LEU C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -155.90 -63.70 -110.07 -128.59 -89.66 . . 0 "[ . 1 . 2]"
182 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 LYS N 93.70 159.90 147.82 106.06 162.06 2.16 7 0 "[ . 1 . 2]"
183 . 1 51 VAL C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -173.40 -43.60 -116.39 -131.84 -71.98 . . 0 "[ . 1 . 2]"
184 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 ASP N 112.80 171.60 171.29 162.77 175.46 3.86 4 0 "[ . 1 . 2]"
185 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 GLU N 117.00 157.00 147.82 132.04 157.89 0.89 12 0 "[ . 1 . 2]"
186 . 1 53 ASP C 1 54 THR N 1 54 THR CA 1 54 THR C -147.60 -97.60 -103.51 -101.12 -101.57 0.93 15 0 "[ . 1 . 2]"
187 . 1 54 THR C 1 55 GLU N 1 55 GLU CA 1 55 GLU C 35.00 85.00 55.36 38.98 69.27 . . 0 "[ . 1 . 2]"
188 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 GLU N -15.00 85.00 53.58 44.25 35.71 . . 0 "[ . 1 . 2]"
189 . 1 55 GLU C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -147.90 -85.50 -86.46 -84.29 -84.41 2.94 8 0 "[ . 1 . 2]"
190 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 GLU N 106.90 150.90 150.18 131.10 153.28 2.38 20 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 262
_TA_constraint_stats_list.Viol_count 1301
_TA_constraint_stats_list.Viol_total 73459.02
_TA_constraint_stats_list.Viol_max 51.74
_TA_constraint_stats_list.Viol_rms 4.48
_TA_constraint_stats_list.Viol_average_all_restraints 0.70
_TA_constraint_stats_list.Viol_average_violations_only 2.82
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 2 1 DG C3' 2 1 DG O3' 2 2 DC P 2 2 DC O5' -108.00 -99.00 -107.03 -110.11 -98.97 2.11 6 0 "[ . 1 . 2]"
2 . 2 2 DC C3' 2 2 DC O3' 2 3 DG P 2 3 DG O5' -108.00 -99.00 -109.56 -111.26 -106.88 3.26 13 0 "[ . 1 . 2]"
3 . 2 3 DG C3' 2 3 DG O3' 2 4 DA P 2 4 DA O5' -108.00 -99.00 -109.53 -109.23 -109.51 3.18 17 0 "[ . 1 . 2]"
4 . 2 4 DA C3' 2 4 DA O3' 2 5 DT P 2 5 DT O5' -108.00 -99.00 -109.22 -111.17 -105.79 3.17 11 0 "[ . 1 . 2]"
5 . 2 5 DT C3' 2 5 DT O3' 2 6 DA P 2 6 DA O5' -108.00 -99.00 -108.97 -109.61 -109.86 3.20 7 0 "[ . 1 . 2]"
6 . 2 6 DA C3' 2 6 DA O3' 2 7 DA P 2 7 DA O5' -108.00 -99.00 -109.70 -111.52 -105.39 3.52 13 0 "[ . 1 . 2]"
7 . 2 7 DA C3' 2 7 DA O3' 2 8 DT P 2 8 DT O5' -108.00 -99.00 -109.08 -110.16 -110.56 3.00 16 0 "[ . 1 . 2]"
8 . 2 8 DT C3' 2 8 DT O3' 2 9 DT P 2 9 DT O5' -108.00 -99.00 -106.40 -110.44 -97.98 2.44 4 0 "[ . 1 . 2]"
9 . 2 9 DT C3' 2 9 DT O3' 2 10 DG P 2 10 DG O5' -108.00 -99.00 -108.59 -108.32 -108.55 4.12 14 0 "[ . 1 . 2]"
10 . 2 10 DG C3' 2 10 DG O3' 2 11 DA P 2 11 DA O5' -108.00 -99.00 -110.88 -114.06 -108.53 6.06 3 1 "[ + . 1 . 2]"
11 . 2 11 DA C3' 2 11 DA O3' 2 12 DT P 2 12 DT O5' -108.00 -99.00 -108.39 -110.85 -104.78 2.85 2 0 "[ . 1 . 2]"
12 . 2 12 DT C3' 2 12 DT O3' 2 13 DA P 2 13 DA O5' -108.00 -99.00 -108.44 -103.71 -106.21 3.37 19 0 "[ . 1 . 2]"
13 . 2 13 DA C3' 2 13 DA O3' 2 14 DG P 2 14 DG O5' -108.00 -99.00 -108.90 -111.25 -105.98 3.25 16 0 "[ . 1 . 2]"
14 . 2 14 DG C3' 2 14 DG O3' 2 15 DG P 2 15 DG O5' -108.00 -99.00 -107.46 -109.83 -101.63 1.83 2 0 "[ . 1 . 2]"
15 . 3 1 DC C3' 3 1 DC O3' 3 2 DC P 3 2 DC O5' -112.50 -94.50 -112.47 -114.13 -108.01 1.63 14 0 "[ . 1 . 2]"
16 . 3 2 DC C3' 3 2 DC O3' 3 3 DT P 3 3 DT O5' -108.00 -99.00 -108.60 -110.70 -104.21 2.70 2 0 "[ . 1 . 2]"
17 . 3 3 DT C3' 3 3 DT O3' 3 4 DA P 3 4 DA O5' -108.00 -99.00 -107.83 -107.97 -108.20 2.58 9 0 "[ . 1 . 2]"
18 . 3 4 DA C3' 3 4 DA O3' 3 5 DT P 3 5 DT O5' -108.00 -99.00 -108.72 -111.60 -104.49 3.60 14 0 "[ . 1 . 2]"
19 . 3 5 DT C3' 3 5 DT O3' 3 6 DC P 3 6 DC O5' -108.00 -99.00 -109.45 -109.61 -109.91 2.80 9 0 "[ . 1 . 2]"
20 . 3 6 DC C3' 3 6 DC O3' 3 7 DA P 3 7 DA O5' -108.00 -99.00 -110.20 -113.04 -106.99 5.04 7 1 "[ . + 1 . 2]"
21 . 3 7 DA C3' 3 7 DA O3' 3 8 DA P 3 8 DA O5' -108.00 -99.00 -112.09 -109.63 -110.59 6.30 16 9 "[ * * 1*-* *+* *2]"
22 . 3 8 DA C3' 3 8 DA O3' 3 9 DT P 3 9 DT O5' -108.00 -99.00 -109.17 -108.49 -109.14 3.09 18 0 "[ . 1 . 2]"
23 . 3 9 DT C3' 3 9 DT O3' 3 10 DT P 3 10 DT O5' -108.00 -99.00 -104.39 -109.95 -95.54 3.46 17 0 "[ . 1 . 2]"
24 . 3 10 DT C3' 3 10 DT O3' 3 11 DA P 3 11 DA O5' -108.00 -99.00 -107.41 -105.53 -107.02 2.83 17 0 "[ . 1 . 2]"
25 . 3 11 DA C3' 3 11 DA O3' 3 12 DT P 3 12 DT O5' -108.00 -99.00 -108.70 -108.89 -109.06 2.58 16 0 "[ . 1 . 2]"
26 . 3 12 DT C3' 3 12 DT O3' 3 13 DC P 3 13 DC O5' -108.00 -99.00 -109.43 -111.73 -106.00 3.73 10 0 "[ . 1 . 2]"
27 . 3 13 DC C3' 3 13 DC O3' 3 14 DG P 3 14 DG O5' -108.00 -99.00 -108.50 -110.84 -100.49 2.84 17 0 "[ . 1 . 2]"
28 . 3 14 DG C3' 3 14 DG O3' 3 15 DC P 3 15 DC O5' -108.00 -99.00 -107.69 -110.47 -98.59 2.47 9 0 "[ . 1 . 2]"
29 . 2 1 DG O4' 2 1 DG C1' 2 1 DG N9 2 1 DG C4 90.00 -90.00 -120.14 -117.72 -118.82 . . 0 "[ . 1 . 2]"
30 . 2 2 DC O4' 2 2 DC C1' 2 2 DC N1 2 2 DC C2 90.00 -90.00 -108.43 -107.26 -108.14 . . 0 "[ . 1 . 2]"
31 . 2 3 DG O4' 2 3 DG C1' 2 3 DG N9 2 3 DG C4 90.00 -90.00 -119.18 -124.81 -114.02 . . 0 "[ . 1 . 2]"
32 . 2 4 DA O4' 2 4 DA C1' 2 4 DA N9 2 4 DA C4 90.00 -90.00 -117.28 -120.46 -113.23 . . 0 "[ . 1 . 2]"
33 . 2 5 DT O4' 2 5 DT C1' 2 5 DT N1 2 5 DT C2 90.00 -90.00 -112.96 -116.33 -106.88 . . 0 "[ . 1 . 2]"
34 . 2 6 DA O4' 2 6 DA C1' 2 6 DA N9 2 6 DA C4 90.00 -90.00 -119.80 -123.76 -116.22 . . 0 "[ . 1 . 2]"
35 . 2 7 DA O4' 2 7 DA C1' 2 7 DA N9 2 7 DA C4 90.00 -90.00 -121.23 -121.17 -121.71 . . 0 "[ . 1 . 2]"
36 . 2 8 DT O4' 2 8 DT C1' 2 8 DT N1 2 8 DT C2 90.00 -90.00 -123.24 -123.31 -124.10 . . 0 "[ . 1 . 2]"
37 . 2 9 DT O4' 2 9 DT C1' 2 9 DT N1 2 9 DT C2 90.00 -90.00 -108.78 -113.69 -104.63 . . 0 "[ . 1 . 2]"
38 . 2 10 DG O4' 2 10 DG C1' 2 10 DG N9 2 10 DG C4 90.00 -90.00 -117.84 -116.46 -117.76 . . 0 "[ . 1 . 2]"
39 . 2 11 DA O4' 2 11 DA C1' 2 11 DA N9 2 11 DA C4 90.00 -90.00 -120.29 -120.61 -122.28 . . 0 "[ . 1 . 2]"
40 . 2 12 DT O4' 2 12 DT C1' 2 12 DT N1 2 12 DT C2 90.00 -90.00 -114.79 -119.69 -105.50 . . 0 "[ . 1 . 2]"
41 . 2 13 DA O4' 2 13 DA C1' 2 13 DA N9 2 13 DA C4 90.00 -90.00 -117.95 -119.33 -119.92 . . 0 "[ . 1 . 2]"
42 . 2 14 DG O4' 2 14 DG C1' 2 14 DG N9 2 14 DG C4 90.00 -90.00 -117.28 -122.00 -110.55 . . 0 "[ . 1 . 2]"
43 . 2 15 DG O4' 2 15 DG C1' 2 15 DG N9 2 15 DG C4 90.00 -90.00 -116.38 -123.70 -110.11 . . 0 "[ . 1 . 2]"
44 . 3 1 DC O4' 3 1 DC C1' 3 1 DC N1 3 1 DC C2 90.00 -90.00 -139.10 -156.83 -126.91 . . 0 "[ . 1 . 2]"
45 . 3 2 DC O4' 3 2 DC C1' 3 2 DC N1 3 2 DC C2 90.00 -90.00 -118.43 -114.06 -115.55 . . 0 "[ . 1 . 2]"
46 . 3 3 DT O4' 3 3 DT C1' 3 3 DT N1 3 3 DT C2 90.00 -90.00 -111.69 -111.79 -112.10 . . 0 "[ . 1 . 2]"
47 . 3 4 DA O4' 3 4 DA C1' 3 4 DA N9 3 4 DA C4 90.00 -90.00 -123.18 -127.08 -117.33 . . 0 "[ . 1 . 2]"
48 . 3 5 DT O4' 3 5 DT C1' 3 5 DT N1 3 5 DT C2 90.00 -90.00 -119.19 -125.93 -115.26 . . 0 "[ . 1 . 2]"
49 . 3 6 DC O4' 3 6 DC C1' 3 6 DC N1 3 6 DC C2 -170.00 -70.00 -109.60 -116.15 -98.36 . . 0 "[ . 1 . 2]"
50 . 3 7 DA O4' 3 7 DA C1' 3 7 DA N9 3 7 DA C4 90.00 -90.00 -108.12 -121.08 -92.92 . . 0 "[ . 1 . 2]"
51 . 3 8 DA O4' 3 8 DA C1' 3 8 DA N9 3 8 DA C4 90.00 -90.00 -116.95 -123.17 -109.95 . . 0 "[ . 1 . 2]"
52 . 3 9 DT O4' 3 9 DT C1' 3 9 DT N1 3 9 DT C2 90.00 -90.00 -117.63 -125.50 -109.45 . . 0 "[ . 1 . 2]"
53 . 3 10 DT O4' 3 10 DT C1' 3 10 DT N1 3 10 DT C2 -170.00 -70.00 -109.67 -118.17 -100.35 . . 0 "[ . 1 . 2]"
54 . 3 11 DA O4' 3 11 DA C1' 3 11 DA N9 3 11 DA C4 90.00 -90.00 -127.99 -123.46 -124.84 . . 0 "[ . 1 . 2]"
55 . 3 12 DT O4' 3 12 DT C1' 3 12 DT N1 3 12 DT C2 90.00 -90.00 -121.88 -122.58 -123.33 . . 0 "[ . 1 . 2]"
56 . 3 13 DC O4' 3 13 DC C1' 3 13 DC N1 3 13 DC C2 90.00 -90.00 -114.71 -116.33 -116.81 . . 0 "[ . 1 . 2]"
57 . 3 14 DG O4' 3 14 DG C1' 3 14 DG N9 3 14 DG C4 90.00 -90.00 -117.24 -120.72 -109.25 . . 0 "[ . 1 . 2]"
58 . 3 15 DC O4' 3 15 DC C1' 3 15 DC N1 3 15 DC C2 90.00 -90.00 -117.71 -114.71 -115.39 . . 0 "[ . 1 . 2]"
59 . 2 1 DG O3' 2 2 DC P 2 2 DC O5' 2 2 DC C5' -70.00 -57.00 -67.24 -70.81 -56.56 0.81 13 0 "[ . 1 . 2]"
60 . 2 2 DC O3' 2 3 DG P 2 3 DG O5' 2 3 DG C5' -70.00 -57.00 -65.31 -65.74 -65.75 0.46 11 0 "[ . 1 . 2]"
61 . 2 3 DG O3' 2 4 DA P 2 4 DA O5' 2 4 DA C5' -70.00 -57.00 -61.52 -56.55 -59.04 1.55 15 0 "[ . 1 . 2]"
62 . 2 4 DA O3' 2 5 DT P 2 5 DT O5' 2 5 DT C5' -70.00 -57.00 -62.51 -70.06 -56.66 0.34 19 0 "[ . 1 . 2]"
63 . 2 5 DT O3' 2 6 DA P 2 6 DA O5' 2 6 DA C5' -70.00 -57.00 -58.23 -56.69 -56.84 0.61 8 0 "[ . 1 . 2]"
64 . 2 6 DA O3' 2 7 DA P 2 7 DA O5' 2 7 DA C5' -70.00 -57.00 -60.18 -66.11 -69.41 0.75 14 0 "[ . 1 . 2]"
65 . 2 7 DA O3' 2 8 DT P 2 8 DT O5' 2 8 DT C5' -70.00 -57.00 -57.63 -61.30 -55.40 1.60 17 0 "[ . 1 . 2]"
66 . 2 8 DT O3' 2 9 DT P 2 9 DT O5' 2 9 DT C5' -70.00 -57.00 -59.25 -67.66 -55.32 1.68 6 0 "[ . 1 . 2]"
67 . 2 9 DT O3' 2 10 DG P 2 10 DG O5' 2 10 DG C5' -70.00 -57.00 -60.79 -59.13 -61.71 1.57 13 0 "[ . 1 . 2]"
68 . 2 10 DG O3' 2 11 DA P 2 11 DA O5' 2 11 DA C5' -70.00 -57.00 -57.78 -63.42 -55.59 1.41 19 0 "[ . 1 . 2]"
69 . 2 11 DA O3' 2 12 DT P 2 12 DT O5' 2 12 DT C5' -70.00 -57.00 -59.48 -56.23 -56.73 1.27 9 0 "[ . 1 . 2]"
70 . 2 12 DT O3' 2 13 DA P 2 13 DA O5' 2 13 DA C5' -70.00 -57.00 -59.47 -69.51 -56.17 0.83 14 0 "[ . 1 . 2]"
71 . 2 13 DA O3' 2 14 DG P 2 14 DG O5' 2 14 DG C5' -70.00 -57.00 -61.97 -58.91 -59.92 0.67 5 0 "[ . 1 . 2]"
72 . 2 14 DG O3' 2 15 DG P 2 15 DG O5' 2 15 DG C5' -70.00 -57.00 -60.39 -56.64 -56.91 1.74 18 0 "[ . 1 . 2]"
73 . 3 1 DC O3' 3 2 DC P 3 2 DC O5' 3 2 DC C5' -70.00 -57.00 -58.77 -63.19 -65.73 1.63 18 0 "[ . 1 . 2]"
74 . 3 2 DC O3' 3 3 DT P 3 3 DT O5' 3 3 DT C5' -70.00 -57.00 -62.74 -63.40 -65.54 1.13 5 0 "[ . 1 . 2]"
75 . 3 3 DT O3' 3 4 DA P 3 4 DA O5' 3 4 DA C5' -70.00 -57.00 -60.93 -69.90 -55.62 1.38 4 0 "[ . 1 . 2]"
76 . 3 4 DA O3' 3 5 DT P 3 5 DT O5' 3 5 DT C5' -70.00 -57.00 -58.49 -68.40 -54.99 2.01 19 0 "[ . 1 . 2]"
77 . 3 5 DT O3' 3 6 DC P 3 6 DC O5' 3 6 DC C5' -70.00 -57.00 -59.83 -66.28 -56.11 0.89 15 0 "[ . 1 . 2]"
78 . 3 6 DC O3' 3 7 DA P 3 7 DA O5' 3 7 DA C5' -70.00 -57.00 -65.65 -59.87 -61.53 1.74 11 0 "[ . 1 . 2]"
79 . 3 7 DA O3' 3 8 DA P 3 8 DA O5' 3 8 DA C5' -70.00 -57.00 -61.21 -68.16 -56.00 1.00 8 0 "[ . 1 . 2]"
80 . 3 8 DA O3' 3 9 DT P 3 9 DT O5' 3 9 DT C5' -70.00 -57.00 -59.69 -69.02 -55.82 1.18 6 0 "[ . 1 . 2]"
81 . 3 9 DT O3' 3 10 DT P 3 10 DT O5' 3 10 DT C5' -70.00 -57.00 -59.06 -68.83 -55.93 1.07 10 0 "[ . 1 . 2]"
82 . 3 10 DT O3' 3 11 DA P 3 11 DA O5' 3 11 DA C5' -70.00 -57.00 -57.25 -56.99 -58.23 1.45 4 0 "[ . 1 . 2]"
83 . 3 11 DA O3' 3 12 DT P 3 12 DT O5' 3 12 DT C5' -70.00 -57.00 -57.98 -58.47 -61.19 1.45 10 0 "[ . 1 . 2]"
84 . 3 12 DT O3' 3 13 DC P 3 13 DC O5' 3 13 DC C5' -70.00 -57.00 -61.40 -63.61 -65.25 0.60 18 0 "[ . 1 . 2]"
85 . 3 13 DC O3' 3 14 DG P 3 14 DG O5' 3 14 DG C5' -70.00 -57.00 -60.09 -69.67 -55.90 1.10 11 0 "[ . 1 . 2]"
86 . 3 14 DG O3' 3 15 DC P 3 15 DC O5' 3 15 DC C5' -70.00 -57.00 -59.19 -64.33 -55.99 1.01 11 0 "[ . 1 . 2]"
87 . 2 2 DC P 2 2 DC O5' 2 2 DC C5' 2 2 DC C4' 169.00 -177.00 179.09 172.45 -176.24 0.76 17 0 "[ . 1 . 2]"
88 . 2 3 DG P 2 3 DG O5' 2 3 DG C5' 2 3 DG C4' 169.00 -177.00 178.93 -177.63 -177.64 0.66 18 0 "[ . 1 . 2]"
89 . 2 4 DA P 2 4 DA O5' 2 4 DA C5' 2 4 DA C4' 169.00 -177.00 174.76 169.35 -178.53 . . 0 "[ . 1 . 2]"
90 . 2 5 DT P 2 5 DT O5' 2 5 DT C5' 2 5 DT C4' 169.00 -177.00 174.95 170.34 178.36 . . 0 "[ . 1 . 2]"
91 . 2 6 DA P 2 6 DA O5' 2 6 DA C5' 2 6 DA C4' 169.00 -177.00 176.36 175.95 173.50 . . 0 "[ . 1 . 2]"
92 . 2 7 DA P 2 7 DA O5' 2 7 DA C5' 2 7 DA C4' 169.00 -177.00 173.49 169.01 179.75 . . 0 "[ . 1 . 2]"
93 . 2 8 DT P 2 8 DT O5' 2 8 DT C5' 2 8 DT C4' 169.00 -177.00 175.65 173.03 172.70 . . 0 "[ . 1 . 2]"
94 . 2 9 DT P 2 9 DT O5' 2 9 DT C5' 2 9 DT C4' 169.00 -177.00 177.26 169.12 -177.53 . . 0 "[ . 1 . 2]"
95 . 2 10 DG P 2 10 DG O5' 2 10 DG C5' 2 10 DG C4' 169.00 -177.00 176.07 -178.89 -179.68 . . 0 "[ . 1 . 2]"
96 . 2 11 DA P 2 11 DA O5' 2 11 DA C5' 2 11 DA C4' 169.00 -177.00 172.37 174.01 172.73 1.44 11 0 "[ . 1 . 2]"
97 . 2 12 DT P 2 12 DT O5' 2 12 DT C5' 2 12 DT C4' 169.00 -177.00 175.44 169.40 -178.58 . . 0 "[ . 1 . 2]"
98 . 2 13 DA P 2 13 DA O5' 2 13 DA C5' 2 13 DA C4' 169.00 -177.00 176.88 177.99 177.30 . . 0 "[ . 1 . 2]"
99 . 2 14 DG P 2 14 DG O5' 2 14 DG C5' 2 14 DG C4' 169.00 -177.00 177.72 177.35 176.89 . . 0 "[ . 1 . 2]"
100 . 2 15 DG P 2 15 DG O5' 2 15 DG C5' 2 15 DG C4' 169.00 -177.00 176.24 168.96 -175.14 1.86 12 0 "[ . 1 . 2]"
101 . 3 2 DC P 3 2 DC O5' 3 2 DC C5' 3 2 DC C4' 169.00 -177.00 175.93 171.90 -179.06 . . 0 "[ . 1 . 2]"
102 . 3 3 DT P 3 3 DT O5' 3 3 DT C5' 3 3 DT C4' 169.00 -177.00 176.02 172.60 -177.30 . . 0 "[ . 1 . 2]"
103 . 3 4 DA P 3 4 DA O5' 3 4 DA C5' 3 4 DA C4' 169.00 -177.00 175.06 170.18 -179.39 . . 0 "[ . 1 . 2]"
104 . 3 5 DT P 3 5 DT O5' 3 5 DT C5' 3 5 DT C4' 169.00 -177.00 177.05 173.57 -178.22 . . 0 "[ . 1 . 2]"
105 . 3 6 DC P 3 6 DC O5' 3 6 DC C5' 3 6 DC C4' 169.00 -177.00 175.46 172.43 171.78 . . 0 "[ . 1 . 2]"
106 . 3 7 DA P 3 7 DA O5' 3 7 DA C5' 3 7 DA C4' 169.00 -177.00 177.57 -179.45 179.19 . . 0 "[ . 1 . 2]"
107 . 3 8 DA P 3 8 DA O5' 3 8 DA C5' 3 8 DA C4' 169.00 -177.00 170.06 166.35 175.23 2.65 17 0 "[ . 1 . 2]"
108 . 3 9 DT P 3 9 DT O5' 3 9 DT C5' 3 9 DT C4' 169.00 -177.00 170.68 167.36 177.90 1.64 12 0 "[ . 1 . 2]"
109 . 3 10 DT P 3 10 DT O5' 3 10 DT C5' 3 10 DT C4' 169.00 -177.00 173.41 169.07 178.39 . . 0 "[ . 1 . 2]"
110 . 3 11 DA P 3 11 DA O5' 3 11 DA C5' 3 11 DA C4' 169.00 -177.00 174.95 172.11 170.77 . . 0 "[ . 1 . 2]"
111 . 3 12 DT P 3 12 DT O5' 3 12 DT C5' 3 12 DT C4' 169.00 -177.00 176.90 170.55 -176.09 0.91 11 0 "[ . 1 . 2]"
112 . 3 13 DC P 3 13 DC O5' 3 13 DC C5' 3 13 DC C4' 169.00 -177.00 174.63 171.19 179.11 . . 0 "[ . 1 . 2]"
113 . 3 14 DG P 3 14 DG O5' 3 14 DG C5' 3 14 DG C4' 169.00 -177.00 177.98 173.58 -176.55 0.45 3 0 "[ . 1 . 2]"
114 . 3 15 DC P 3 15 DC O5' 3 15 DC C5' 3 15 DC C4' 169.00 -177.00 171.68 167.33 178.52 1.67 6 0 "[ . 1 . 2]"
115 . 2 1 DG C4' 2 1 DG C3' 2 1 DG O3' 2 2 DC P -175.00 -168.00 -172.11 -171.37 -172.11 1.47 10 0 "[ . 1 . 2]"
116 . 2 2 DC C4' 2 2 DC C3' 2 2 DC O3' 2 3 DG P -175.00 -168.00 -174.96 -176.92 -171.17 1.92 8 0 "[ . 1 . 2]"
117 . 2 3 DG C4' 2 3 DG C3' 2 3 DG O3' 2 4 DA P -175.00 -168.00 -174.90 -176.54 -176.86 3.45 15 0 "[ . 1 . 2]"
118 . 2 4 DA C4' 2 4 DA C3' 2 4 DA O3' 2 5 DT P -175.00 -168.00 -174.14 -172.12 -173.10 2.01 11 0 "[ . 1 . 2]"
119 . 2 5 DT C4' 2 5 DT C3' 2 5 DT O3' 2 6 DA P -175.00 -168.00 -175.71 -176.47 -176.50 2.48 14 0 "[ . 1 . 2]"
120 . 2 6 DA C4' 2 6 DA C3' 2 6 DA O3' 2 7 DA P -175.00 -168.00 -175.48 -176.81 -170.99 1.81 5 0 "[ . 1 . 2]"
121 . 2 7 DA C4' 2 7 DA C3' 2 7 DA O3' 2 8 DT P -175.00 -168.00 -175.68 -176.25 -176.39 2.33 10 0 "[ . 1 . 2]"
122 . 2 8 DT C4' 2 8 DT C3' 2 8 DT O3' 2 9 DT P -175.00 -168.00 -173.18 -170.77 -172.34 1.64 8 0 "[ . 1 . 2]"
123 . 2 9 DT C4' 2 9 DT C3' 2 9 DT O3' 2 10 DG P -175.00 -168.00 -176.71 -178.83 -173.40 3.83 17 0 "[ . 1 . 2]"
124 . 2 10 DG C4' 2 10 DG C3' 2 10 DG O3' 2 11 DA P -175.00 -168.00 -176.19 -175.79 -176.60 3.29 10 0 "[ . 1 . 2]"
125 . 2 11 DA C4' 2 11 DA C3' 2 11 DA O3' 2 12 DT P -175.00 -168.00 -173.41 -177.22 -167.30 2.22 9 0 "[ . 1 . 2]"
126 . 2 12 DT C4' 2 12 DT C3' 2 12 DT O3' 2 13 DA P -175.00 -168.00 -175.68 -179.01 -173.06 4.01 19 0 "[ . 1 . 2]"
127 . 2 13 DA C4' 2 13 DA C3' 2 13 DA O3' 2 14 DG P -175.00 -168.00 -174.49 -177.32 -167.40 2.32 16 0 "[ . 1 . 2]"
128 . 2 14 DG C4' 2 14 DG C3' 2 14 DG O3' 2 15 DG P -175.00 -168.00 -174.90 -176.91 -171.20 1.91 8 0 "[ . 1 . 2]"
129 . 3 1 DC C4' 3 1 DC C3' 3 1 DC O3' 3 2 DC P -175.00 -168.00 -173.42 -176.35 -168.70 1.35 13 0 "[ . 1 . 2]"
130 . 3 2 DC C4' 3 2 DC C3' 3 2 DC O3' 3 3 DT P -175.00 -168.00 -174.23 -176.23 -167.26 1.23 4 0 "[ . 1 . 2]"
131 . 3 3 DT C4' 3 3 DT C3' 3 3 DT O3' 3 4 DA P -175.00 -168.00 -175.38 -175.41 -176.07 2.01 15 0 "[ . 1 . 2]"
132 . 3 4 DA C4' 3 4 DA C3' 3 4 DA O3' 3 5 DT P -175.00 -168.00 -175.64 -177.30 -171.45 2.30 14 0 "[ . 1 . 2]"
133 . 3 5 DT C4' 3 5 DT C3' 3 5 DT O3' 3 6 DC P -175.00 -168.00 -175.51 -176.38 -176.61 2.66 11 0 "[ . 1 . 2]"
134 . 3 6 DC C4' 3 6 DC C3' 3 6 DC O3' 3 7 DA P -175.00 -168.00 -171.61 -176.04 -167.31 1.04 2 0 "[ . 1 . 2]"
135 . 3 7 DA C4' 3 7 DA C3' 3 7 DA O3' 3 8 DA P -175.00 -168.00 -176.24 -175.88 -176.03 2.70 6 0 "[ . 1 . 2]"
136 . 3 8 DA C4' 3 8 DA C3' 3 8 DA O3' 3 9 DT P -175.00 -168.00 -173.56 -174.29 -175.93 1.97 18 0 "[ . 1 . 2]"
137 . 3 9 DT C4' 3 9 DT C3' 3 9 DT O3' 3 10 DT P -175.00 -168.00 -171.20 -176.67 -166.51 1.67 9 0 "[ . 1 . 2]"
138 . 3 10 DT C4' 3 10 DT C3' 3 10 DT O3' 3 11 DA P -175.00 -168.00 -176.30 -178.46 -173.92 3.46 17 0 "[ . 1 . 2]"
139 . 3 11 DA C4' 3 11 DA C3' 3 11 DA O3' 3 12 DT P -175.00 -168.00 -175.36 -177.23 -172.11 2.23 19 0 "[ . 1 . 2]"
140 . 3 12 DT C4' 3 12 DT C3' 3 12 DT O3' 3 13 DC P -175.00 -168.00 -175.09 -177.22 -169.68 2.22 7 0 "[ . 1 . 2]"
141 . 3 13 DC C4' 3 13 DC C3' 3 13 DC O3' 3 14 DG P -175.00 -168.00 -175.83 -175.58 -175.73 3.07 17 0 "[ . 1 . 2]"
142 . 3 14 DG C4' 3 14 DG C3' 3 14 DG O3' 3 15 DC P -175.00 -168.00 -175.01 -172.38 -174.39 3.03 11 0 "[ . 1 . 2]"
143 . 2 1 DG O5' 2 1 DG C5' 2 1 DG C4' 2 1 DG C3' 44.00 58.00 108.90 109.05 108.97 51.36 4 20 [***+***-************]
144 . 2 2 DC O5' 2 2 DC C5' 2 2 DC C4' 2 2 DC C3' 44.00 58.00 53.38 58.28 57.84 1.85 6 0 "[ . 1 . 2]"
145 . 2 3 DG O5' 2 3 DG C5' 2 3 DG C4' 2 3 DG C3' 44.00 58.00 49.38 46.54 45.12 0.74 1 0 "[ . 1 . 2]"
146 . 2 4 DA O5' 2 4 DA C5' 2 4 DA C4' 2 4 DA C3' 44.00 58.00 55.11 44.66 58.69 0.69 16 0 "[ . 1 . 2]"
147 . 2 5 DT O5' 2 5 DT C5' 2 5 DT C4' 2 5 DT C3' 44.00 58.00 54.68 55.91 54.11 0.82 14 0 "[ . 1 . 2]"
148 . 2 6 DA O5' 2 6 DA C5' 2 6 DA C4' 2 6 DA C3' 44.00 58.00 49.00 43.17 57.15 0.83 17 0 "[ . 1 . 2]"
149 . 2 7 DA O5' 2 7 DA C5' 2 7 DA C4' 2 7 DA C3' 44.00 58.00 55.93 43.04 59.26 1.26 15 0 "[ . 1 . 2]"
150 . 2 8 DT O5' 2 8 DT C5' 2 8 DT C4' 2 8 DT C3' 44.00 58.00 54.71 47.52 58.67 0.67 11 0 "[ . 1 . 2]"
151 . 2 9 DT O5' 2 9 DT C5' 2 9 DT C4' 2 9 DT C3' 44.00 58.00 47.50 51.23 48.69 0.98 13 0 "[ . 1 . 2]"
152 . 2 10 DG O5' 2 10 DG C5' 2 10 DG C4' 2 10 DG C3' 44.00 58.00 50.58 43.02 60.89 2.89 16 0 "[ . 1 . 2]"
153 . 2 11 DA O5' 2 11 DA C5' 2 11 DA C4' 2 11 DA C3' 44.00 58.00 55.26 57.09 55.20 2.23 3 0 "[ . 1 . 2]"
154 . 2 12 DT O5' 2 12 DT C5' 2 12 DT C4' 2 12 DT C3' 44.00 58.00 51.44 43.61 57.65 0.39 11 0 "[ . 1 . 2]"
155 . 2 13 DA O5' 2 13 DA C5' 2 13 DA C4' 2 13 DA C3' 44.00 58.00 49.16 43.56 57.23 0.44 6 0 "[ . 1 . 2]"
156 . 2 14 DG O5' 2 14 DG C5' 2 14 DG C4' 2 14 DG C3' 44.00 58.00 50.52 43.77 58.35 0.35 7 0 "[ . 1 . 2]"
157 . 2 15 DG O5' 2 15 DG C5' 2 15 DG C4' 2 15 DG C3' 44.00 58.00 50.05 47.12 43.75 1.60 12 0 "[ . 1 . 2]"
158 . 3 1 DC O5' 3 1 DC C5' 3 1 DC C4' 3 1 DC C3' 44.00 58.00 109.01 108.49 109.74 51.74 11 20 [*****-****+*********]
159 . 3 2 DC O5' 3 2 DC C5' 3 2 DC C4' 3 2 DC C3' 44.00 58.00 56.63 58.42 57.84 1.36 15 0 "[ . 1 . 2]"
160 . 3 3 DT O5' 3 3 DT C5' 3 3 DT C4' 3 3 DT C3' 44.00 58.00 52.17 43.50 58.28 0.50 18 0 "[ . 1 . 2]"
161 . 3 4 DA O5' 3 4 DA C5' 3 4 DA C4' 3 4 DA C3' 44.00 58.00 50.74 42.82 58.99 1.18 15 0 "[ . 1 . 2]"
162 . 3 5 DT O5' 3 5 DT C5' 3 5 DT C4' 3 5 DT C3' 44.00 58.00 52.16 52.29 50.96 0.67 8 0 "[ . 1 . 2]"
163 . 3 6 DC O5' 3 6 DC C5' 3 6 DC C4' 3 6 DC C3' 44.00 58.00 55.12 49.83 58.65 0.65 19 0 "[ . 1 . 2]"
164 . 3 7 DA O5' 3 7 DA C5' 3 7 DA C4' 3 7 DA C3' 44.00 58.00 51.16 43.70 58.93 0.93 7 0 "[ . 1 . 2]"
165 . 3 8 DA O5' 3 8 DA C5' 3 8 DA C4' 3 8 DA C3' 44.00 58.00 58.08 57.01 55.95 4.39 16 0 "[ . 1 . 2]"
166 . 3 9 DT O5' 3 9 DT C5' 3 9 DT C4' 3 9 DT C3' 44.00 58.00 57.64 47.60 60.45 2.45 11 0 "[ . 1 . 2]"
167 . 3 10 DT O5' 3 10 DT C5' 3 10 DT C4' 3 10 DT C3' 44.00 58.00 47.76 54.67 53.36 1.37 12 0 "[ . 1 . 2]"
168 . 3 11 DA O5' 3 11 DA C5' 3 11 DA C4' 3 11 DA C3' 44.00 58.00 48.63 42.13 57.48 1.87 15 0 "[ . 1 . 2]"
169 . 3 12 DT O5' 3 12 DT C5' 3 12 DT C4' 3 12 DT C3' 44.00 58.00 53.34 45.00 58.68 0.68 12 0 "[ . 1 . 2]"
170 . 3 13 DC O5' 3 13 DC C5' 3 13 DC C4' 3 13 DC C3' 44.00 58.00 55.57 47.64 59.50 1.50 1 0 "[ . 1 . 2]"
171 . 3 14 DG O5' 3 14 DG C5' 3 14 DG C4' 3 14 DG C3' 44.00 58.00 47.10 43.74 43.74 2.29 3 0 "[ . 1 . 2]"
172 . 3 15 DC O5' 3 15 DC C5' 3 15 DC C4' 3 15 DC C3' 44.00 58.00 54.61 54.06 51.61 1.21 6 0 "[ . 1 . 2]"
173 . 2 1 DG C5' 2 1 DG C4' 2 1 DG C3' 2 1 DG O3' 115.00 141.00 146.49 146.48 146.42 6.08 15 19 "[***** ********+-****]"
174 . 2 2 DC C5' 2 2 DC C4' 2 2 DC C3' 2 2 DC O3' 115.00 141.00 139.29 138.45 140.08 . . 0 "[ . 1 . 2]"
175 . 2 3 DG C5' 2 3 DG C4' 2 3 DG C3' 2 3 DG O3' 115.00 141.00 136.96 137.39 137.26 . . 0 "[ . 1 . 2]"
176 . 2 4 DA C5' 2 4 DA C4' 2 4 DA C3' 2 4 DA O3' 115.00 141.00 136.18 136.35 136.26 . . 0 "[ . 1 . 2]"
177 . 2 5 DT C5' 2 5 DT C4' 2 5 DT C3' 2 5 DT O3' 115.00 141.00 135.08 134.86 134.77 . . 0 "[ . 1 . 2]"
178 . 2 6 DA C5' 2 6 DA C4' 2 6 DA C3' 2 6 DA O3' 115.00 141.00 135.42 134.86 136.03 . . 0 "[ . 1 . 2]"
179 . 2 7 DA C5' 2 7 DA C4' 2 7 DA C3' 2 7 DA O3' 115.00 141.00 136.15 135.93 135.76 . . 0 "[ . 1 . 2]"
180 . 2 8 DT C5' 2 8 DT C4' 2 8 DT C3' 2 8 DT O3' 115.00 141.00 133.79 133.67 133.63 . . 0 "[ . 1 . 2]"
181 . 2 9 DT C5' 2 9 DT C4' 2 9 DT C3' 2 9 DT O3' 115.00 141.00 134.88 135.23 135.18 . . 0 "[ . 1 . 2]"
182 . 2 10 DG C5' 2 10 DG C4' 2 10 DG C3' 2 10 DG O3' 115.00 141.00 135.35 134.11 136.32 . . 0 "[ . 1 . 2]"
183 . 2 11 DA C5' 2 11 DA C4' 2 11 DA C3' 2 11 DA O3' 115.00 141.00 136.22 135.02 136.84 . . 0 "[ . 1 . 2]"
184 . 2 12 DT C5' 2 12 DT C4' 2 12 DT C3' 2 12 DT O3' 115.00 141.00 135.05 134.46 135.69 . . 0 "[ . 1 . 2]"
185 . 2 13 DA C5' 2 13 DA C4' 2 13 DA C3' 2 13 DA O3' 115.00 141.00 136.32 135.26 136.71 . . 0 "[ . 1 . 2]"
186 . 2 14 DG C5' 2 14 DG C4' 2 14 DG C3' 2 14 DG O3' 115.00 141.00 136.85 136.25 137.40 . . 0 "[ . 1 . 2]"
187 . 2 15 DG C5' 2 15 DG C4' 2 15 DG C3' 2 15 DG O3' 115.00 141.00 134.05 133.97 133.89 . . 0 "[ . 1 . 2]"
188 . 3 1 DC C5' 3 1 DC C4' 3 1 DC C3' 3 1 DC O3' 115.00 141.00 145.49 145.07 145.93 4.93 19 0 "[ . 1 . 2]"
189 . 3 2 DC C5' 3 2 DC C4' 3 2 DC C3' 3 2 DC O3' 115.00 141.00 138.54 137.77 139.06 . . 0 "[ . 1 . 2]"
190 . 3 3 DT C5' 3 3 DT C4' 3 3 DT C3' 3 3 DT O3' 115.00 141.00 135.22 135.03 134.88 . . 0 "[ . 1 . 2]"
191 . 3 4 DA C5' 3 4 DA C4' 3 4 DA C3' 3 4 DA O3' 115.00 141.00 132.71 132.57 132.52 . . 0 "[ . 1 . 2]"
192 . 3 5 DT C5' 3 5 DT C4' 3 5 DT C3' 3 5 DT O3' 115.00 141.00 134.77 134.59 134.51 . . 0 "[ . 1 . 2]"
193 . 3 6 DC C5' 3 6 DC C4' 3 6 DC C3' 3 6 DC O3' 115.00 141.00 135.39 134.44 136.26 . . 0 "[ . 1 . 2]"
194 . 3 7 DA C5' 3 7 DA C4' 3 7 DA C3' 3 7 DA O3' 115.00 141.00 134.74 135.56 135.41 . . 0 "[ . 1 . 2]"
195 . 3 8 DA C5' 3 8 DA C4' 3 8 DA C3' 3 8 DA O3' 115.00 141.00 136.29 136.50 136.35 . . 0 "[ . 1 . 2]"
196 . 3 9 DT C5' 3 9 DT C4' 3 9 DT C3' 3 9 DT O3' 115.00 141.00 133.27 132.43 134.57 . . 0 "[ . 1 . 2]"
197 . 3 10 DT C5' 3 10 DT C4' 3 10 DT C3' 3 10 DT O3' 115.00 141.00 134.18 134.14 134.12 . . 0 "[ . 1 . 2]"
198 . 3 11 DA C5' 3 11 DA C4' 3 11 DA C3' 3 11 DA O3' 115.00 141.00 132.02 131.22 132.48 . . 0 "[ . 1 . 2]"
199 . 3 12 DT C5' 3 12 DT C4' 3 12 DT C3' 3 12 DT O3' 115.00 141.00 134.97 134.17 135.70 . . 0 "[ . 1 . 2]"
200 . 3 13 DC C5' 3 13 DC C4' 3 13 DC C3' 3 13 DC O3' 115.00 141.00 136.03 135.39 136.86 . . 0 "[ . 1 . 2]"
201 . 3 14 DG C5' 3 14 DG C4' 3 14 DG C3' 3 14 DG O3' 115.00 141.00 136.28 135.42 136.93 . . 0 "[ . 1 . 2]"
202 . 3 15 DC C5' 3 15 DC C4' 3 15 DC C3' 3 15 DC O3' 115.00 141.00 133.93 133.79 133.70 . . 0 "[ . 1 . 2]"
203 . 2 1 DG C3' 2 1 DG C2' 2 1 DG C1' 2 1 DG O4' 15.00 55.00 34.23 34.09 33.98 . . 0 "[ . 1 . 2]"
204 . 2 2 DC C3' 2 2 DC C2' 2 2 DC C1' 2 2 DC O4' 15.00 55.00 36.00 35.63 36.41 . . 0 "[ . 1 . 2]"
205 . 2 3 DG C3' 2 3 DG C2' 2 3 DG C1' 2 3 DG O4' 15.00 55.00 36.16 36.56 36.43 . . 0 "[ . 1 . 2]"
206 . 2 4 DA C3' 2 4 DA C2' 2 4 DA C1' 2 4 DA O4' 15.00 55.00 36.59 36.82 36.69 . . 0 "[ . 1 . 2]"
207 . 2 5 DT C3' 2 5 DT C2' 2 5 DT C1' 2 5 DT O4' 15.00 55.00 36.72 36.53 36.30 . . 0 "[ . 1 . 2]"
208 . 2 6 DA C3' 2 6 DA C2' 2 6 DA C1' 2 6 DA O4' 15.00 55.00 36.56 36.21 37.15 . . 0 "[ . 1 . 2]"
209 . 2 7 DA C3' 2 7 DA C2' 2 7 DA C1' 2 7 DA O4' -30.00 50.00 36.65 36.74 36.67 . . 0 "[ . 1 . 2]"
210 . 2 8 DT C3' 2 8 DT C2' 2 8 DT C1' 2 8 DT O4' -30.00 50.00 36.78 36.96 36.86 . . 0 "[ . 1 . 2]"
211 . 2 9 DT C3' 2 9 DT C2' 2 9 DT C1' 2 9 DT O4' -30.00 50.00 36.72 36.31 37.26 . . 0 "[ . 1 . 2]"
212 . 2 10 DG C3' 2 10 DG C2' 2 10 DG C1' 2 10 DG O4' 15.00 55.00 36.62 36.65 36.59 . . 0 "[ . 1 . 2]"
213 . 2 11 DA C3' 2 11 DA C2' 2 11 DA C1' 2 11 DA O4' 15.00 55.00 36.74 36.28 37.23 . . 0 "[ . 1 . 2]"
214 . 2 12 DT C3' 2 12 DT C2' 2 12 DT C1' 2 12 DT O4' 15.00 55.00 36.78 36.37 37.22 . . 0 "[ . 1 . 2]"
215 . 2 13 DA C3' 2 13 DA C2' 2 13 DA C1' 2 13 DA O4' -30.00 50.00 36.69 36.43 36.94 . . 0 "[ . 1 . 2]"
216 . 2 14 DG C3' 2 14 DG C2' 2 14 DG C1' 2 14 DG O4' -30.00 50.00 36.81 36.40 37.21 . . 0 "[ . 1 . 2]"
217 . 2 15 DG C3' 2 15 DG C2' 2 15 DG C1' 2 15 DG O4' -30.00 50.00 36.84 36.83 36.76 . . 0 "[ . 1 . 2]"
218 . 3 1 DC C3' 3 1 DC C2' 3 1 DC C1' 3 1 DC O4' -30.00 50.00 34.52 34.37 34.35 . . 0 "[ . 1 . 2]"
219 . 3 2 DC C3' 3 2 DC C2' 3 2 DC C1' 3 2 DC O4' -30.00 50.00 36.17 35.94 35.65 . . 0 "[ . 1 . 2]"
220 . 3 3 DT C3' 3 3 DT C2' 3 3 DT C1' 3 3 DT O4' -30.00 50.00 36.91 37.19 37.10 . . 0 "[ . 1 . 2]"
221 . 3 4 DA C3' 3 4 DA C2' 3 4 DA C1' 3 4 DA O4' 15.00 55.00 36.68 36.50 36.46 . . 0 "[ . 1 . 2]"
222 . 3 5 DT C3' 3 5 DT C2' 3 5 DT C1' 3 5 DT O4' 15.00 55.00 36.77 36.49 37.17 . . 0 "[ . 1 . 2]"
223 . 3 6 DC C3' 3 6 DC C2' 3 6 DC C1' 3 6 DC O4' -30.00 50.00 36.38 35.90 37.13 . . 0 "[ . 1 . 2]"
224 . 3 7 DA C3' 3 7 DA C2' 3 7 DA C1' 3 7 DA O4' -30.00 55.00 35.91 35.11 36.58 . . 0 "[ . 1 . 2]"
225 . 3 8 DA C3' 3 8 DA C2' 3 8 DA C1' 3 8 DA O4' 15.00 55.00 36.03 34.79 37.07 . . 0 "[ . 1 . 2]"
226 . 3 9 DT C3' 3 9 DT C2' 3 9 DT C1' 3 9 DT O4' -30.00 50.00 36.56 36.66 36.63 . . 0 "[ . 1 . 2]"
227 . 3 10 DT C3' 3 10 DT C2' 3 10 DT C1' 3 10 DT O4' -30.00 50.00 37.10 37.04 37.01 . . 0 "[ . 1 . 2]"
228 . 3 11 DA C3' 3 11 DA C2' 3 11 DA C1' 3 11 DA O4' 15.00 55.00 36.92 36.99 36.87 . . 0 "[ . 1 . 2]"
229 . 3 12 DT C3' 3 12 DT C2' 3 12 DT C1' 3 12 DT O4' -30.00 50.00 36.78 36.42 37.16 . . 0 "[ . 1 . 2]"
230 . 3 13 DC C3' 3 13 DC C2' 3 13 DC C1' 3 13 DC O4' 15.00 55.00 36.66 36.53 36.43 . . 0 "[ . 1 . 2]"
231 . 3 14 DG C3' 3 14 DG C2' 3 14 DG C1' 3 14 DG O4' 15.00 55.00 36.89 36.43 37.47 . . 0 "[ . 1 . 2]"
232 . 3 15 DC C3' 3 15 DC C2' 3 15 DC C1' 3 15 DC O4' 15.00 55.00 36.69 36.66 36.53 . . 0 "[ . 1 . 2]"
233 . 2 1 DG C4' 2 1 DG C3' 2 1 DG C2' 2 1 DG C1' -55.00 -15.00 -36.76 -36.93 -36.61 . . 0 "[ . 1 . 2]"
234 . 2 2 DC C4' 2 2 DC C3' 2 2 DC C2' 2 2 DC C1' -55.00 -15.00 -32.59 -32.71 -32.51 . . 0 "[ . 1 . 2]"
235 . 2 3 DG C4' 2 3 DG C3' 2 3 DG C2' 2 3 DG C1' -55.00 -15.00 -31.57 -31.67 -31.67 . . 0 "[ . 1 . 2]"
236 . 2 4 DA C4' 2 4 DA C3' 2 4 DA C2' 2 4 DA C1' -55.00 -15.00 -31.16 -31.24 -31.24 . . 0 "[ . 1 . 2]"
237 . 2 5 DT C4' 2 5 DT C3' 2 5 DT C2' 2 5 DT C1' -55.00 -15.00 -30.40 -30.56 -30.22 . . 0 "[ . 1 . 2]"
238 . 2 6 DA C4' 2 6 DA C3' 2 6 DA C2' 2 6 DA C1' -55.00 -15.00 -30.78 -30.69 -30.71 . . 0 "[ . 1 . 2]"
239 . 2 7 DA C4' 2 7 DA C3' 2 7 DA C2' 2 7 DA C1' -55.00 55.00 -31.21 -31.38 -31.01 . . 0 "[ . 1 . 2]"
240 . 2 8 DT C4' 2 8 DT C3' 2 8 DT C2' 2 8 DT C1' -55.00 55.00 -29.55 -29.51 -29.53 . . 0 "[ . 1 . 2]"
241 . 2 9 DT C4' 2 9 DT C3' 2 9 DT C2' 2 9 DT C1' -55.00 55.00 -30.41 -30.59 -30.12 . . 0 "[ . 1 . 2]"
242 . 2 10 DG C4' 2 10 DG C3' 2 10 DG C2' 2 10 DG C1' -55.00 -15.00 -31.23 -31.00 -31.13 . . 0 "[ . 1 . 2]"
243 . 2 11 DA C4' 2 11 DA C3' 2 11 DA C2' 2 11 DA C1' -55.00 -15.00 -31.23 -31.05 -31.11 . . 0 "[ . 1 . 2]"
244 . 2 12 DT C4' 2 12 DT C3' 2 12 DT C2' 2 12 DT C1' -55.00 -15.00 -30.33 -30.25 -30.28 . . 0 "[ . 1 . 2]"
245 . 2 13 DA C4' 2 13 DA C3' 2 13 DA C2' 2 13 DA C1' -55.00 55.00 -31.17 -31.29 -31.03 . . 0 "[ . 1 . 2]"
246 . 2 14 DG C4' 2 14 DG C3' 2 14 DG C2' 2 14 DG C1' -55.00 55.00 -31.39 -31.47 -31.50 . . 0 "[ . 1 . 2]"
247 . 2 15 DG C4' 2 15 DG C3' 2 15 DG C2' 2 15 DG C1' -55.00 55.00 -29.57 -29.74 -29.39 . . 0 "[ . 1 . 2]"
248 . 3 1 DC C4' 3 1 DC C3' 3 1 DC C2' 3 1 DC C1' -55.00 55.00 -36.26 -36.24 -36.28 . . 0 "[ . 1 . 2]"
249 . 3 2 DC C4' 3 2 DC C3' 3 2 DC C2' 3 2 DC C1' -55.00 55.00 -32.24 -32.46 -32.01 . . 0 "[ . 1 . 2]"
250 . 3 3 DT C4' 3 3 DT C3' 3 3 DT C2' 3 3 DT C1' -55.00 55.00 -30.40 -30.51 -30.26 . . 0 "[ . 1 . 2]"
251 . 3 4 DA C4' 3 4 DA C3' 3 4 DA C2' 3 4 DA C1' -55.00 -15.00 -29.00 -29.16 -28.86 . . 0 "[ . 1 . 2]"
252 . 3 5 DT C4' 3 5 DT C3' 3 5 DT C2' 3 5 DT C1' -55.00 -15.00 -30.29 -30.27 -30.31 . . 0 "[ . 1 . 2]"
253 . 3 6 DC C4' 3 6 DC C3' 3 6 DC C2' 3 6 DC C1' -55.00 55.00 -30.87 -31.07 -31.13 . . 0 "[ . 1 . 2]"
254 . 3 7 DA C4' 3 7 DA C3' 3 7 DA C2' 3 7 DA C1' -55.00 55.00 -30.96 -31.22 -30.69 . . 0 "[ . 1 . 2]"
255 . 3 8 DA C4' 3 8 DA C3' 3 8 DA C2' 3 8 DA C1' -55.00 -15.00 -31.07 -31.25 -31.31 . . 0 "[ . 1 . 2]"
256 . 3 9 DT C4' 3 9 DT C3' 3 9 DT C2' 3 9 DT C1' -55.00 55.00 -29.06 -29.06 -29.07 . . 0 "[ . 1 . 2]"
257 . 3 10 DT C4' 3 10 DT C3' 3 10 DT C2' 3 10 DT C1' -55.00 55.00 -29.73 -29.88 -29.52 . . 0 "[ . 1 . 2]"
258 . 3 11 DA C4' 3 11 DA C3' 3 11 DA C2' 3 11 DA C1' -55.00 -15.00 -28.62 -28.76 -28.49 . . 0 "[ . 1 . 2]"
259 . 3 12 DT C4' 3 12 DT C3' 3 12 DT C2' 3 12 DT C1' -55.00 55.00 -30.49 -30.63 -30.30 . . 0 "[ . 1 . 2]"
260 . 3 13 DC C4' 3 13 DC C3' 3 13 DC C2' 3 13 DC C1' -55.00 -15.00 -30.94 -31.13 -30.77 . . 0 "[ . 1 . 2]"
261 . 3 14 DG C4' 3 14 DG C3' 3 14 DG C2' 3 14 DG C1' -55.00 -15.00 -31.24 -31.21 -31.22 . . 0 "[ . 1 . 2]"
262 . 3 15 DC C4' 3 15 DC C3' 3 15 DC C2' 3 15 DC C1' -55.00 -15.00 -29.38 -29.56 -29.06 . . 0 "[ . 1 . 2]"
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