NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508782 |
2yrc   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2yrc
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 204
_TA_constraint_stats_list.Viol_count 46
_TA_constraint_stats_list.Viol_total 766.29
_TA_constraint_stats_list.Viol_max 3.73
_TA_constraint_stats_list.Viol_rms 0.15
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.83
_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 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG -90.00 -150.00 -136.52 -160.75 -163.55 . . 0 "[ . 1 . 2]"
2 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 30.00 -30.00 -136.52 -160.75 -163.55 . . 0 "[ . 1 . 2]"
3 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 150.00 90.00 -136.52 -160.75 -163.55 . . 0 "[ . 1 . 2]"
4 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG -90.00 -150.00 -90.99 -79.33 -157.52 . . 0 "[ . 1 . 2]"
5 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 30.00 -30.00 -90.99 -79.33 -157.52 . . 0 "[ . 1 . 2]"
6 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 150.00 90.00 -90.99 -79.33 -157.52 . . 0 "[ . 1 . 2]"
7 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG -90.00 -150.00 -83.00 171.79 69.38 . . 0 "[ . 1 . 2]"
8 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 30.00 -30.00 -83.00 171.79 69.38 . . 0 "[ . 1 . 2]"
9 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 150.00 90.00 -83.00 171.79 69.38 . . 0 "[ . 1 . 2]"
10 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG -90.00 -150.00 -21.94 55.64 -51.65 . . 0 "[ . 1 . 2]"
11 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 30.00 -30.00 -21.94 55.64 -51.65 . . 0 "[ . 1 . 2]"
12 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 150.00 90.00 -21.94 55.64 -51.65 . . 0 "[ . 1 . 2]"
13 CHI1 1 8 GLU N 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG -90.00 -150.00 -118.01 56.86 -59.45 . . 0 "[ . 1 . 2]"
14 CHI1 1 8 GLU N 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 30.00 -30.00 -118.01 56.86 -59.45 . . 0 "[ . 1 . 2]"
15 CHI1 1 8 GLU N 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 150.00 90.00 -118.01 56.86 -59.45 . . 0 "[ . 1 . 2]"
16 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD -90.00 -150.00 167.92 76.51 -81.99 . . 0 "[ . 1 . 2]"
17 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD 30.00 -30.00 167.92 76.51 -81.99 . . 0 "[ . 1 . 2]"
18 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD 150.00 90.00 167.92 76.51 -81.99 0.45 16 0 "[ . 1 . 2]"
19 CHI1 1 10 VAL N 1 10 VAL CA 1 10 VAL CB 1 10 VAL CG1 -90.00 -150.00 -177.61 175.90 -69.16 . . 0 "[ . 1 . 2]"
20 CHI1 1 10 VAL N 1 10 VAL CA 1 10 VAL CB 1 10 VAL CG1 30.00 -30.00 -177.61 175.90 -69.16 . . 0 "[ . 1 . 2]"
21 CHI1 1 10 VAL N 1 10 VAL CA 1 10 VAL CB 1 10 VAL CG1 150.00 90.00 -177.61 175.90 -69.16 . . 0 "[ . 1 . 2]"
22 CHI1 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG -90.00 -150.00 -65.21 -88.99 -51.05 . . 0 "[ . 1 . 2]"
23 CHI1 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 30.00 -30.00 -65.21 -88.99 -51.05 . . 0 "[ . 1 . 2]"
24 CHI1 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 150.00 90.00 -65.21 -88.99 -51.05 . . 0 "[ . 1 . 2]"
25 CHI2 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 1 11 LEU CD1 -90.00 -150.00 -153.30 168.94 -60.83 . . 0 "[ . 1 . 2]"
26 CHI2 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 1 11 LEU CD1 30.00 -30.00 -153.30 168.94 -60.83 . . 0 "[ . 1 . 2]"
27 CHI2 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 1 11 LEU CD1 150.00 90.00 -153.30 168.94 -60.83 . . 0 "[ . 1 . 2]"
28 CHI1 1 12 CYS N 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG -90.00 -150.00 -166.31 -165.60 -169.13 . . 0 "[ . 1 . 2]"
29 CHI1 1 12 CYS N 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG 30.00 -30.00 -166.31 -165.60 -169.13 . . 0 "[ . 1 . 2]"
30 CHI1 1 12 CYS N 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG 150.00 90.00 -166.31 -165.60 -169.13 . . 0 "[ . 1 . 2]"
31 CHI1 1 13 SER N 1 13 SER CA 1 13 SER CB 1 13 SER OG -90.00 -150.00 -174.68 58.09 -70.87 . . 0 "[ . 1 . 2]"
32 CHI1 1 13 SER N 1 13 SER CA 1 13 SER CB 1 13 SER OG 30.00 -30.00 -174.68 58.09 -70.87 . . 0 "[ . 1 . 2]"
33 CHI1 1 13 SER N 1 13 SER CA 1 13 SER CB 1 13 SER OG 150.00 90.00 -174.68 58.09 -70.87 . . 0 "[ . 1 . 2]"
34 CHI1 1 14 ARG N 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG -90.00 -150.00 -156.39 -156.32 -160.01 1.05 11 0 "[ . 1 . 2]"
35 CHI1 1 14 ARG N 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 30.00 -30.00 -156.39 -156.32 -160.01 . . 0 "[ . 1 . 2]"
36 CHI1 1 14 ARG N 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 150.00 90.00 -156.39 -156.32 -160.01 . . 0 "[ . 1 . 2]"
37 CHI2 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD -90.00 -150.00 167.21 169.76 164.30 . . 0 "[ . 1 . 2]"
38 CHI2 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 30.00 -30.00 167.21 169.76 164.30 . . 0 "[ . 1 . 2]"
39 CHI2 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 150.00 90.00 167.21 169.76 164.30 1.78 14 0 "[ . 1 . 2]"
40 CHI3 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 1 14 ARG NE -90.00 -150.00 -152.62 -90.01 -149.88 0.12 16 0 "[ . 1 . 2]"
41 CHI3 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 1 14 ARG NE 30.00 -30.00 -152.62 -90.01 -149.88 . . 0 "[ . 1 . 2]"
42 CHI3 1 14 ARG CB 1 14 ARG CG 1 14 ARG CD 1 14 ARG NE 150.00 90.00 -152.62 -90.01 -149.88 . . 0 "[ . 1 . 2]"
43 CHI1 1 15 THR N 1 15 THR CA 1 15 THR CB 1 15 THR OG1 -90.00 -150.00 117.14 28.97 -175.31 . . 0 "[ . 1 . 2]"
44 CHI1 1 15 THR N 1 15 THR CA 1 15 THR CB 1 15 THR OG1 30.00 -30.00 117.14 28.97 -175.31 1.03 12 0 "[ . 1 . 2]"
45 CHI1 1 15 THR N 1 15 THR CA 1 15 THR CB 1 15 THR OG1 150.00 90.00 117.14 28.97 -175.31 . . 0 "[ . 1 . 2]"
46 CHI1 1 16 THR N 1 16 THR CA 1 16 THR CB 1 16 THR OG1 -90.00 -150.00 56.32 -29.01 72.14 . . 0 "[ . 1 . 2]"
47 CHI1 1 16 THR N 1 16 THR CA 1 16 THR CB 1 16 THR OG1 30.00 -30.00 56.32 -29.01 72.14 0.99 12 0 "[ . 1 . 2]"
48 CHI1 1 16 THR N 1 16 THR CA 1 16 THR CB 1 16 THR OG1 150.00 90.00 56.32 -29.01 72.14 . . 0 "[ . 1 . 2]"
49 CHI1 1 17 CYS N 1 17 CYS CA 1 17 CYS CB 1 17 CYS SG -90.00 -150.00 -166.04 -174.65 -152.88 . . 0 "[ . 1 . 2]"
50 CHI1 1 17 CYS N 1 17 CYS CA 1 17 CYS CB 1 17 CYS SG 30.00 -30.00 -166.04 -174.65 -152.88 . . 0 "[ . 1 . 2]"
51 CHI1 1 17 CYS N 1 17 CYS CA 1 17 CYS CB 1 17 CYS SG 150.00 90.00 -166.04 -174.65 -152.88 . . 0 "[ . 1 . 2]"
52 CHI1 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG -90.00 -150.00 -64.00 -72.20 -50.82 . . 0 "[ . 1 . 2]"
53 CHI1 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 30.00 -30.00 -64.00 -72.20 -50.82 . . 0 "[ . 1 . 2]"
54 CHI1 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 150.00 90.00 -64.00 -72.20 -50.82 . . 0 "[ . 1 . 2]"
55 CHI2 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD -90.00 -150.00 -77.93 -76.99 -78.94 . . 0 "[ . 1 . 2]"
56 CHI2 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 30.00 -30.00 -77.93 -76.99 -78.94 . . 0 "[ . 1 . 2]"
57 CHI2 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 150.00 90.00 -77.93 -76.99 -78.94 . . 0 "[ . 1 . 2]"
58 CHI3 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 1 18 ARG NE -90.00 -150.00 -100.58 81.86 -59.95 . . 0 "[ . 1 . 2]"
59 CHI3 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 1 18 ARG NE 30.00 -30.00 -100.58 81.86 -59.95 . . 0 "[ . 1 . 2]"
60 CHI3 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 1 18 ARG NE 150.00 90.00 -100.58 81.86 -59.95 . . 0 "[ . 1 . 2]"
61 CHI1 1 20 VAL N 1 20 VAL CA 1 20 VAL CB 1 20 VAL CG1 -90.00 -150.00 169.41 -92.09 179.68 2.09 17 0 "[ . 1 . 2]"
62 CHI1 1 20 VAL N 1 20 VAL CA 1 20 VAL CB 1 20 VAL CG1 30.00 -30.00 169.41 -92.09 179.68 . . 0 "[ . 1 . 2]"
63 CHI1 1 20 VAL N 1 20 VAL CA 1 20 VAL CB 1 20 VAL CG1 150.00 90.00 169.41 -92.09 179.68 . . 0 "[ . 1 . 2]"
64 CHI1 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG -90.00 -150.00 -170.67 -175.60 179.81 . . 0 "[ . 1 . 2]"
65 CHI1 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG 30.00 -30.00 -170.67 -175.60 179.81 . . 0 "[ . 1 . 2]"
66 CHI1 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG 150.00 90.00 -170.67 -175.60 179.81 . . 0 "[ . 1 . 2]"
67 CHI2 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG 1 21 LEU CD1 -90.00 -150.00 70.91 59.82 82.76 . . 0 "[ . 1 . 2]"
68 CHI2 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG 1 21 LEU CD1 30.00 -30.00 70.91 59.82 82.76 . . 0 "[ . 1 . 2]"
69 CHI2 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG 1 21 LEU CD1 150.00 90.00 70.91 59.82 82.76 . . 0 "[ . 1 . 2]"
70 CHI1 1 22 ASN N 1 22 ASN CA 1 22 ASN CB 1 22 ASN CG -90.00 -150.00 39.15 42.42 39.71 . . 0 "[ . 1 . 2]"
71 CHI1 1 22 ASN N 1 22 ASN CA 1 22 ASN CB 1 22 ASN CG 30.00 -30.00 39.15 42.42 39.71 0.10 20 0 "[ . 1 . 2]"
72 CHI1 1 22 ASN N 1 22 ASN CA 1 22 ASN CB 1 22 ASN CG 150.00 90.00 39.15 42.42 39.71 . . 0 "[ . 1 . 2]"
73 CHI1 1 24 LEU N 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG -90.00 -150.00 -72.07 -89.62 -54.28 . . 0 "[ . 1 . 2]"
74 CHI1 1 24 LEU N 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG 30.00 -30.00 -72.07 -89.62 -54.28 . . 0 "[ . 1 . 2]"
75 CHI1 1 24 LEU N 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG 150.00 90.00 -72.07 -89.62 -54.28 . . 0 "[ . 1 . 2]"
76 CHI2 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG 1 24 LEU CD1 -90.00 -150.00 153.18 -91.53 165.60 1.53 2 0 "[ . 1 . 2]"
77 CHI2 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG 1 24 LEU CD1 30.00 -30.00 153.18 -91.53 165.60 . . 0 "[ . 1 . 2]"
78 CHI2 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG 1 24 LEU CD1 150.00 90.00 153.18 -91.53 165.60 0.36 20 0 "[ . 1 . 2]"
79 CHI1 1 25 CYS N 1 25 CYS CA 1 25 CYS CB 1 25 CYS SG -90.00 -150.00 -73.67 -73.59 -74.41 . . 0 "[ . 1 . 2]"
80 CHI1 1 25 CYS N 1 25 CYS CA 1 25 CYS CB 1 25 CYS SG 30.00 -30.00 -73.67 -73.59 -74.41 . . 0 "[ . 1 . 2]"
81 CHI1 1 25 CYS N 1 25 CYS CA 1 25 CYS CB 1 25 CYS SG 150.00 90.00 -73.67 -73.59 -74.41 . . 0 "[ . 1 . 2]"
82 CHI1 1 26 GLN N 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG -90.00 -150.00 -74.72 147.54 -58.27 . . 0 "[ . 1 . 2]"
83 CHI1 1 26 GLN N 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 30.00 -30.00 -74.72 147.54 -58.27 . . 0 "[ . 1 . 2]"
84 CHI1 1 26 GLN N 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 150.00 90.00 -74.72 147.54 -58.27 2.46 19 0 "[ . 1 . 2]"
85 CHI2 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 1 26 GLN CD -90.00 -150.00 -112.98 85.72 -48.63 . . 0 "[ . 1 . 2]"
86 CHI2 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 1 26 GLN CD 30.00 -30.00 -112.98 85.72 -48.63 . . 0 "[ . 1 . 2]"
87 CHI2 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG 1 26 GLN CD 150.00 90.00 -112.98 85.72 -48.63 2.39 19 0 "[ . 1 . 2]"
88 CHI1 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 -90.00 -150.00 128.24 -177.56 -179.50 . . 0 "[ . 1 . 2]"
89 CHI1 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 30.00 -30.00 128.24 -177.56 -179.50 . . 0 "[ . 1 . 2]"
90 CHI1 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 150.00 90.00 128.24 -177.56 -179.50 . . 0 "[ . 1 . 2]"
91 CHI1 1 28 ASP N 1 28 ASP CA 1 28 ASP CB 1 28 ASP CG -90.00 -150.00 -151.97 -150.90 -151.39 0.27 12 0 "[ . 1 . 2]"
92 CHI1 1 28 ASP N 1 28 ASP CA 1 28 ASP CB 1 28 ASP CG 30.00 -30.00 -151.97 -150.90 -151.39 . . 0 "[ . 1 . 2]"
93 CHI1 1 28 ASP N 1 28 ASP CA 1 28 ASP CB 1 28 ASP CG 150.00 90.00 -151.97 -150.90 -151.39 . . 0 "[ . 1 . 2]"
94 CHI1 1 29 TYR N 1 29 TYR CA 1 29 TYR CB 1 29 TYR CG -90.00 -150.00 -68.17 -52.46 -53.91 0.03 16 0 "[ . 1 . 2]"
95 CHI1 1 29 TYR N 1 29 TYR CA 1 29 TYR CB 1 29 TYR CG 30.00 -30.00 -68.17 -52.46 -53.91 . . 0 "[ . 1 . 2]"
96 CHI1 1 29 TYR N 1 29 TYR CA 1 29 TYR CB 1 29 TYR CG 150.00 90.00 -68.17 -52.46 -53.91 . . 0 "[ . 1 . 2]"
97 CHI1 1 30 ARG N 1 30 ARG CA 1 30 ARG CB 1 30 ARG CG -90.00 -150.00 -82.47 49.70 -63.66 3.73 15 0 "[ . 1 . 2]"
98 CHI1 1 30 ARG N 1 30 ARG CA 1 30 ARG CB 1 30 ARG CG 30.00 -30.00 -82.47 49.70 -63.66 . . 0 "[ . 1 . 2]"
99 CHI1 1 30 ARG N 1 30 ARG CA 1 30 ARG CB 1 30 ARG CG 150.00 90.00 -82.47 49.70 -63.66 . . 0 "[ . 1 . 2]"
100 CHI2 1 30 ARG CA 1 30 ARG CB 1 30 ARG CG 1 30 ARG CD -90.00 -150.00 -172.56 -175.69 176.12 0.14 15 0 "[ . 1 . 2]"
101 CHI2 1 30 ARG CA 1 30 ARG CB 1 30 ARG CG 1 30 ARG CD 30.00 -30.00 -172.56 -175.69 176.12 . . 0 "[ . 1 . 2]"
102 CHI2 1 30 ARG CA 1 30 ARG CB 1 30 ARG CG 1 30 ARG CD 150.00 90.00 -172.56 -175.69 176.12 . . 0 "[ . 1 . 2]"
103 CHI3 1 30 ARG CB 1 30 ARG CG 1 30 ARG CD 1 30 ARG NE -90.00 -150.00 -133.64 -89.26 -164.18 . . 0 "[ . 1 . 2]"
104 CHI3 1 30 ARG CB 1 30 ARG CG 1 30 ARG CD 1 30 ARG NE 30.00 -30.00 -133.64 -89.26 -164.18 . . 0 "[ . 1 . 2]"
105 CHI3 1 30 ARG CB 1 30 ARG CG 1 30 ARG CD 1 30 ARG NE 150.00 90.00 -133.64 -89.26 -164.18 . . 0 "[ . 1 . 2]"
106 CHI1 1 32 LYS N 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG -90.00 -150.00 -70.27 -86.42 -52.07 . . 0 "[ . 1 . 2]"
107 CHI1 1 32 LYS N 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG 30.00 -30.00 -70.27 -86.42 -52.07 . . 0 "[ . 1 . 2]"
108 CHI1 1 32 LYS N 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG 150.00 90.00 -70.27 -86.42 -52.07 . . 0 "[ . 1 . 2]"
109 CHI2 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG 1 32 LYS CD -90.00 -150.00 158.02 71.37 -75.95 . . 0 "[ . 1 . 2]"
110 CHI2 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG 1 32 LYS CD 30.00 -30.00 158.02 71.37 -75.95 . . 0 "[ . 1 . 2]"
111 CHI2 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG 1 32 LYS CD 150.00 90.00 158.02 71.37 -75.95 . . 0 "[ . 1 . 2]"
112 CHI3 1 32 LYS CB 1 32 LYS CG 1 32 LYS CD 1 32 LYS CE -90.00 -150.00 144.42 167.57 164.34 . . 0 "[ . 1 . 2]"
113 CHI3 1 32 LYS CB 1 32 LYS CG 1 32 LYS CD 1 32 LYS CE 30.00 -30.00 144.42 167.57 164.34 . . 0 "[ . 1 . 2]"
114 CHI3 1 32 LYS CB 1 32 LYS CG 1 32 LYS CD 1 32 LYS CE 150.00 90.00 144.42 167.57 164.34 . . 0 "[ . 1 . 2]"
115 CHI4 1 32 LYS CG 1 32 LYS CD 1 32 LYS CE 1 32 LYS NZ -90.00 -150.00 156.24 -88.66 -159.50 . . 0 "[ . 1 . 2]"
116 CHI4 1 32 LYS CG 1 32 LYS CD 1 32 LYS CE 1 32 LYS NZ 30.00 -30.00 156.24 -88.66 -159.50 . . 0 "[ . 1 . 2]"
117 CHI4 1 32 LYS CG 1 32 LYS CD 1 32 LYS CE 1 32 LYS NZ 150.00 90.00 156.24 -88.66 -159.50 . . 0 "[ . 1 . 2]"
118 CHI1 1 33 LEU N 1 33 LEU CA 1 33 LEU CB 1 33 LEU CG -90.00 -150.00 -87.48 -90.15 -81.75 0.15 20 0 "[ . 1 . 2]"
119 CHI1 1 33 LEU N 1 33 LEU CA 1 33 LEU CB 1 33 LEU CG 30.00 -30.00 -87.48 -90.15 -81.75 . . 0 "[ . 1 . 2]"
120 CHI1 1 33 LEU N 1 33 LEU CA 1 33 LEU CB 1 33 LEU CG 150.00 90.00 -87.48 -90.15 -81.75 . . 0 "[ . 1 . 2]"
121 CHI2 1 33 LEU CA 1 33 LEU CB 1 33 LEU CG 1 33 LEU CD1 -90.00 -150.00 163.64 163.63 162.18 . . 0 "[ . 1 . 2]"
122 CHI2 1 33 LEU CA 1 33 LEU CB 1 33 LEU CG 1 33 LEU CD1 30.00 -30.00 163.64 163.63 162.18 . . 0 "[ . 1 . 2]"
123 CHI2 1 33 LEU CA 1 33 LEU CB 1 33 LEU CG 1 33 LEU CD1 150.00 90.00 163.64 163.63 162.18 . . 0 "[ . 1 . 2]"
124 CHI1 1 34 TRP N 1 34 TRP CA 1 34 TRP CB 1 34 TRP CG -90.00 -150.00 69.57 63.53 57.72 . . 0 "[ . 1 . 2]"
125 CHI1 1 34 TRP N 1 34 TRP CA 1 34 TRP CB 1 34 TRP CG 30.00 -30.00 69.57 63.53 57.72 . . 0 "[ . 1 . 2]"
126 CHI1 1 34 TRP N 1 34 TRP CA 1 34 TRP CB 1 34 TRP CG 150.00 90.00 69.57 63.53 57.72 . . 0 "[ . 1 . 2]"
127 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG -90.00 -150.00 -154.59 -154.06 -155.32 0.14 19 0 "[ . 1 . 2]"
128 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 30.00 -30.00 -154.59 -154.06 -155.32 . . 0 "[ . 1 . 2]"
129 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 150.00 90.00 -154.59 -154.06 -155.32 . . 0 "[ . 1 . 2]"
130 CHI1 1 37 ASN N 1 37 ASN CA 1 37 ASN CB 1 37 ASN CG -90.00 -150.00 75.45 57.91 89.68 . . 0 "[ . 1 . 2]"
131 CHI1 1 37 ASN N 1 37 ASN CA 1 37 ASN CB 1 37 ASN CG 30.00 -30.00 75.45 57.91 89.68 . . 0 "[ . 1 . 2]"
132 CHI1 1 37 ASN N 1 37 ASN CA 1 37 ASN CB 1 37 ASN CG 150.00 90.00 75.45 57.91 89.68 . . 0 "[ . 1 . 2]"
133 CHI1 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG -90.00 -150.00 -63.79 -61.55 -62.08 . . 0 "[ . 1 . 2]"
134 CHI1 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG 30.00 -30.00 -63.79 -61.55 -62.08 . . 0 "[ . 1 . 2]"
135 CHI1 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG 150.00 90.00 -63.79 -61.55 -62.08 . . 0 "[ . 1 . 2]"
136 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG -90.00 -150.00 75.37 77.92 77.01 . . 0 "[ . 1 . 2]"
137 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 30.00 -30.00 75.37 77.92 77.01 . . 0 "[ . 1 . 2]"
138 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 150.00 90.00 75.37 77.92 77.01 . . 0 "[ . 1 . 2]"
139 CHI1 1 40 TYR N 1 40 TYR CA 1 40 TYR CB 1 40 TYR CG -90.00 -150.00 -104.14 -89.99 -152.91 . . 0 "[ . 1 . 2]"
140 CHI1 1 40 TYR N 1 40 TYR CA 1 40 TYR CB 1 40 TYR CG 30.00 -30.00 -104.14 -89.99 -152.91 . . 0 "[ . 1 . 2]"
141 CHI1 1 40 TYR N 1 40 TYR CA 1 40 TYR CB 1 40 TYR CG 150.00 90.00 -104.14 -89.99 -152.91 . . 0 "[ . 1 . 2]"
142 CHI1 1 41 GLN N 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG -90.00 -150.00 171.23 163.85 -175.67 . . 0 "[ . 1 . 2]"
143 CHI1 1 41 GLN N 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG 30.00 -30.00 171.23 163.85 -175.67 . . 0 "[ . 1 . 2]"
144 CHI1 1 41 GLN N 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG 150.00 90.00 171.23 163.85 -175.67 . . 0 "[ . 1 . 2]"
145 CHI2 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG 1 41 GLN CD -90.00 -150.00 66.03 64.91 64.16 . . 0 "[ . 1 . 2]"
146 CHI2 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG 1 41 GLN CD 30.00 -30.00 66.03 64.91 64.16 . . 0 "[ . 1 . 2]"
147 CHI2 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG 1 41 GLN CD 150.00 90.00 66.03 64.91 64.16 . . 0 "[ . 1 . 2]"
148 CHI1 1 42 ARG N 1 42 ARG CA 1 42 ARG CB 1 42 ARG CG -90.00 -150.00 -83.15 -81.32 -82.61 0.04 18 0 "[ . 1 . 2]"
149 CHI1 1 42 ARG N 1 42 ARG CA 1 42 ARG CB 1 42 ARG CG 30.00 -30.00 -83.15 -81.32 -82.61 . . 0 "[ . 1 . 2]"
150 CHI1 1 42 ARG N 1 42 ARG CA 1 42 ARG CB 1 42 ARG CG 150.00 90.00 -83.15 -81.32 -82.61 . . 0 "[ . 1 . 2]"
151 CHI2 1 42 ARG CA 1 42 ARG CB 1 42 ARG CG 1 42 ARG CD -90.00 -150.00 179.48 169.13 162.62 . . 0 "[ . 1 . 2]"
152 CHI2 1 42 ARG CA 1 42 ARG CB 1 42 ARG CG 1 42 ARG CD 30.00 -30.00 179.48 169.13 162.62 . . 0 "[ . 1 . 2]"
153 CHI2 1 42 ARG CA 1 42 ARG CB 1 42 ARG CG 1 42 ARG CD 150.00 90.00 179.48 169.13 162.62 . . 0 "[ . 1 . 2]"
154 CHI3 1 42 ARG CB 1 42 ARG CG 1 42 ARG CD 1 42 ARG NE -90.00 -150.00 -95.52 -83.48 -152.15 . . 0 "[ . 1 . 2]"
155 CHI3 1 42 ARG CB 1 42 ARG CG 1 42 ARG CD 1 42 ARG NE 30.00 -30.00 -95.52 -83.48 -152.15 . . 0 "[ . 1 . 2]"
156 CHI3 1 42 ARG CB 1 42 ARG CG 1 42 ARG CD 1 42 ARG NE 150.00 90.00 -95.52 -83.48 -152.15 . . 0 "[ . 1 . 2]"
157 CHI1 1 43 ASN N 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG -90.00 -150.00 -48.36 -54.18 -67.30 . . 0 "[ . 1 . 2]"
158 CHI1 1 43 ASN N 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG 30.00 -30.00 -48.36 -54.18 -67.30 . . 0 "[ . 1 . 2]"
159 CHI1 1 43 ASN N 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG 150.00 90.00 -48.36 -54.18 -67.30 . . 0 "[ . 1 . 2]"
160 CHI1 1 44 GLN N 1 44 GLN CA 1 44 GLN CB 1 44 GLN CG -90.00 -150.00 -81.54 -146.45 -56.51 3.61 7 0 "[ . 1 . 2]"
161 CHI1 1 44 GLN N 1 44 GLN CA 1 44 GLN CB 1 44 GLN CG 30.00 -30.00 -81.54 -146.45 -56.51 . . 0 "[ . 1 . 2]"
162 CHI1 1 44 GLN N 1 44 GLN CA 1 44 GLN CB 1 44 GLN CG 150.00 90.00 -81.54 -146.45 -56.51 . . 0 "[ . 1 . 2]"
163 CHI2 1 44 GLN CA 1 44 GLN CB 1 44 GLN CG 1 44 GLN CD -90.00 -150.00 -159.40 -90.71 -149.89 0.71 19 0 "[ . 1 . 2]"
164 CHI2 1 44 GLN CA 1 44 GLN CB 1 44 GLN CG 1 44 GLN CD 30.00 -30.00 -159.40 -90.71 -149.89 . . 0 "[ . 1 . 2]"
165 CHI2 1 44 GLN CA 1 44 GLN CB 1 44 GLN CG 1 44 GLN CD 150.00 90.00 -159.40 -90.71 -149.89 . . 0 "[ . 1 . 2]"
166 CHI1 1 45 PHE N 1 45 PHE CA 1 45 PHE CB 1 45 PHE CG -90.00 -150.00 -81.74 -92.68 -67.17 2.68 19 0 "[ . 1 . 2]"
167 CHI1 1 45 PHE N 1 45 PHE CA 1 45 PHE CB 1 45 PHE CG 30.00 -30.00 -81.74 -92.68 -67.17 . . 0 "[ . 1 . 2]"
168 CHI1 1 45 PHE N 1 45 PHE CA 1 45 PHE CB 1 45 PHE CG 150.00 90.00 -81.74 -92.68 -67.17 . . 0 "[ . 1 . 2]"
169 CHI1 1 48 SER N 1 48 SER CA 1 48 SER CB 1 48 SER OG -90.00 -150.00 -90.61 -177.08 61.62 . . 0 "[ . 1 . 2]"
170 CHI1 1 48 SER N 1 48 SER CA 1 48 SER CB 1 48 SER OG 30.00 -30.00 -90.61 -177.08 61.62 . . 0 "[ . 1 . 2]"
171 CHI1 1 48 SER N 1 48 SER CA 1 48 SER CB 1 48 SER OG 150.00 90.00 -90.61 -177.08 61.62 . . 0 "[ . 1 . 2]"
172 CHI1 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG -90.00 -150.00 77.24 71.32 66.68 . . 0 "[ . 1 . 2]"
173 CHI1 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG 30.00 -30.00 77.24 71.32 66.68 . . 0 "[ . 1 . 2]"
174 CHI1 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG 150.00 90.00 77.24 71.32 66.68 . . 0 "[ . 1 . 2]"
175 CHI1 1 52 ILE N 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 -90.00 -150.00 -58.76 -60.25 -61.15 . . 0 "[ . 1 . 2]"
176 CHI1 1 52 ILE N 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 30.00 -30.00 -58.76 -60.25 -61.15 . . 0 "[ . 1 . 2]"
177 CHI1 1 52 ILE N 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 150.00 90.00 -58.76 -60.25 -61.15 . . 0 "[ . 1 . 2]"
178 CHI21 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 1 52 ILE CD1 -90.00 -150.00 162.64 88.57 -48.70 . . 0 "[ . 1 . 2]"
179 CHI21 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 1 52 ILE CD1 30.00 -30.00 162.64 88.57 -48.70 . . 0 "[ . 1 . 2]"
180 CHI21 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 1 52 ILE CD1 150.00 90.00 162.64 88.57 -48.70 0.18 10 0 "[ . 1 . 2]"
181 CHI1 1 53 SER N 1 53 SER CA 1 53 SER CB 1 53 SER OG -90.00 -150.00 -62.77 53.08 -52.72 . . 0 "[ . 1 . 2]"
182 CHI1 1 53 SER N 1 53 SER CA 1 53 SER CB 1 53 SER OG 30.00 -30.00 -62.77 53.08 -52.72 . . 0 "[ . 1 . 2]"
183 CHI1 1 53 SER N 1 53 SER CA 1 53 SER CB 1 53 SER OG 150.00 90.00 -62.77 53.08 -52.72 . . 0 "[ . 1 . 2]"
184 CHI1 1 54 GLU N 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG -90.00 -150.00 -90.85 -70.72 -74.16 . . 0 "[ . 1 . 2]"
185 CHI1 1 54 GLU N 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG 30.00 -30.00 -90.85 -70.72 -74.16 . . 0 "[ . 1 . 2]"
186 CHI1 1 54 GLU N 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG 150.00 90.00 -90.85 -70.72 -74.16 . . 0 "[ . 1 . 2]"
187 CHI2 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG 1 54 GLU CD -90.00 -150.00 -87.95 -176.27 161.27 . . 0 "[ . 1 . 2]"
188 CHI2 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG 1 54 GLU CD 30.00 -30.00 -87.95 -176.27 161.27 . . 0 "[ . 1 . 2]"
189 CHI2 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG 1 54 GLU CD 150.00 90.00 -87.95 -176.27 161.27 . . 0 "[ . 1 . 2]"
190 CHI1 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG -90.00 -150.00 -72.67 -87.60 -53.00 . . 0 "[ . 1 . 2]"
191 CHI1 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 30.00 -30.00 -72.67 -87.60 -53.00 . . 0 "[ . 1 . 2]"
192 CHI1 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 150.00 90.00 -72.67 -87.60 -53.00 . . 0 "[ . 1 . 2]"
193 CHI2 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 1 55 LEU CD1 -90.00 -150.00 173.65 -73.70 171.62 . . 0 "[ . 1 . 2]"
194 CHI2 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 1 55 LEU CD1 30.00 -30.00 173.65 -73.70 171.62 . . 0 "[ . 1 . 2]"
195 CHI2 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 1 55 LEU CD1 150.00 90.00 173.65 -73.70 171.62 1.45 4 0 "[ . 1 . 2]"
196 CHI1 1 56 ASN N 1 56 ASN CA 1 56 ASN CB 1 56 ASN CG -90.00 -150.00 -165.34 179.51 162.90 . . 0 "[ . 1 . 2]"
197 CHI1 1 56 ASN N 1 56 ASN CA 1 56 ASN CB 1 56 ASN CG 30.00 -30.00 -165.34 179.51 162.90 . . 0 "[ . 1 . 2]"
198 CHI1 1 56 ASN N 1 56 ASN CA 1 56 ASN CB 1 56 ASN CG 150.00 90.00 -165.34 179.51 162.90 . . 0 "[ . 1 . 2]"
199 CHI1 1 57 GLN N 1 57 GLN CA 1 57 GLN CB 1 57 GLN CG -90.00 -150.00 -145.65 -86.68 -158.16 . . 0 "[ . 1 . 2]"
200 CHI1 1 57 GLN N 1 57 GLN CA 1 57 GLN CB 1 57 GLN CG 30.00 -30.00 -145.65 -86.68 -158.16 . . 0 "[ . 1 . 2]"
201 CHI1 1 57 GLN N 1 57 GLN CA 1 57 GLN CB 1 57 GLN CG 150.00 90.00 -145.65 -86.68 -158.16 . . 0 "[ . 1 . 2]"
202 CHI2 1 57 GLN CA 1 57 GLN CB 1 57 GLN CG 1 57 GLN CD -90.00 -150.00 -158.54 -86.83 -150.72 . . 0 "[ . 1 . 2]"
203 CHI2 1 57 GLN CA 1 57 GLN CB 1 57 GLN CG 1 57 GLN CD 30.00 -30.00 -158.54 -86.83 -150.72 . . 0 "[ . 1 . 2]"
204 CHI2 1 57 GLN CA 1 57 GLN CB 1 57 GLN CG 1 57 GLN CD 150.00 90.00 -158.54 -86.83 -150.72 . . 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 64
_TA_constraint_stats_list.Viol_count 42
_TA_constraint_stats_list.Viol_total 108.92
_TA_constraint_stats_list.Viol_max 0.74
_TA_constraint_stats_list.Viol_rms 0.03
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.13
_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 CHI1 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG -90.00 -30.00 -65.21 -88.99 -51.05 . . 0 "[ . 1 . 2]"
2 CHI1 1 12 CYS N 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG 150.00 -150.00 -166.31 -165.60 -169.13 . . 0 "[ . 1 . 2]"
3 CHI1 1 17 CYS N 1 17 CYS CA 1 17 CYS CB 1 17 CYS SG 150.00 -150.00 -166.04 -174.65 -152.88 . . 0 "[ . 1 . 2]"
4 CHI1 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG 150.00 -150.00 -170.67 -175.60 179.81 . . 0 "[ . 1 . 2]"
5 CHI1 1 22 ASN N 1 22 ASN CA 1 22 ASN CB 1 22 ASN CG 30.00 90.00 39.15 42.42 39.71 0.10 20 0 "[ . 1 . 2]"
6 CHI1 1 25 CYS N 1 25 CYS CA 1 25 CYS CB 1 25 CYS SG -90.00 -30.00 -73.67 -73.59 -74.41 . . 0 "[ . 1 . 2]"
7 CHI1 1 28 ASP N 1 28 ASP CA 1 28 ASP CB 1 28 ASP CG 150.00 -150.00 -151.97 -150.90 -151.39 0.27 12 0 "[ . 1 . 2]"
8 CHI1 1 32 LYS N 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG -90.00 -30.00 -70.27 -86.42 -52.07 . . 0 "[ . 1 . 2]"
9 CHI1 1 33 LEU N 1 33 LEU CA 1 33 LEU CB 1 33 LEU CG -90.00 -30.00 -87.48 -90.15 -81.75 0.15 20 0 "[ . 1 . 2]"
10 CHI1 1 34 TRP N 1 34 TRP CA 1 34 TRP CB 1 34 TRP CG 30.00 90.00 69.57 63.53 57.72 . . 0 "[ . 1 . 2]"
11 CHI1 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 150.00 -150.00 -154.59 -154.06 -155.32 0.14 19 0 "[ . 1 . 2]"
12 CHI1 1 37 ASN N 1 37 ASN CA 1 37 ASN CB 1 37 ASN CG 30.00 90.00 75.45 57.91 89.68 . . 0 "[ . 1 . 2]"
13 CHI1 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG -90.00 -30.00 -63.79 -61.55 -62.08 . . 0 "[ . 1 . 2]"
14 CHI1 1 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 30.00 90.00 75.37 77.92 77.01 . . 0 "[ . 1 . 2]"
15 CHI1 1 41 GLN N 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG 150.00 -150.00 171.23 163.85 -175.67 . . 0 "[ . 1 . 2]"
16 CHI1 1 42 ARG N 1 42 ARG CA 1 42 ARG CB 1 42 ARG CG -90.00 -30.00 -83.15 -81.32 -82.61 0.04 18 0 "[ . 1 . 2]"
17 CHI1 1 43 ASN N 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG -90.00 -30.00 -48.36 -54.18 -67.30 . . 0 "[ . 1 . 2]"
18 PHI 1 7 GLY C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -134.10 -74.10 -96.74 -125.32 -74.10 0.00 1 0 "[ . 1 . 2]"
19 PSI 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 PRO N 107.10 167.10 146.32 150.10 142.35 . . 0 "[ . 1 . 2]"
20 PSI 1 9 PRO N 1 9 PRO CA 1 9 PRO C 1 10 VAL N 113.00 173.00 141.40 120.20 167.96 . . 0 "[ . 1 . 2]"
21 PHI 1 9 PRO C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -126.80 -66.80 -77.67 -96.52 -66.71 0.09 1 0 "[ . 1 . 2]"
22 PSI 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 LEU N 88.70 148.70 97.06 88.70 123.11 0.00 9 0 "[ . 1 . 2]"
23 PHI 1 10 VAL C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -132.30 -72.30 -84.00 -91.13 -105.22 0.08 19 0 "[ . 1 . 2]"
24 PSI 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 CYS N 88.10 148.10 131.21 134.40 133.19 . . 0 "[ . 1 . 2]"
25 PHI 1 14 ARG C 1 15 THR N 1 15 THR CA 1 15 THR C -91.00 -31.00 -68.10 -61.96 -63.57 0.25 14 0 "[ . 1 . 2]"
26 PSI 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 THR N -65.60 -5.60 -38.40 -36.94 -39.43 . . 0 "[ . 1 . 2]"
27 PHI 1 21 LEU C 1 22 ASN N 1 22 ASN CA 1 22 ASN C -141.80 -81.80 -128.11 -140.56 -116.97 . . 0 "[ . 1 . 2]"
28 PSI 1 22 ASN N 1 22 ASN CA 1 22 ASN C 1 23 PRO N 107.20 167.20 157.74 155.71 161.34 . . 0 "[ . 1 . 2]"
29 PHI 1 23 PRO C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -107.00 -47.00 -86.31 -59.03 -73.04 . . 0 "[ . 1 . 2]"
30 PSI 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 CYS N -45.10 14.90 -34.65 -31.31 -31.84 . . 0 "[ . 1 . 2]"
31 PHI 1 26 GLN C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -141.60 -81.60 -94.75 -83.36 -84.40 0.04 18 0 "[ . 1 . 2]"
32 PSI 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 ASP N 102.30 162.30 127.45 136.65 128.04 . . 0 "[ . 1 . 2]"
33 PHI 1 28 ASP C 1 29 TYR N 1 29 TYR CA 1 29 TYR C -90.70 -30.70 -39.95 -35.89 -37.01 . . 0 "[ . 1 . 2]"
34 PSI 1 29 TYR N 1 29 TYR CA 1 29 TYR C 1 30 ARG N -62.10 -2.10 -38.80 -52.21 -27.10 . . 0 "[ . 1 . 2]"
35 PHI 1 29 TYR C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -99.00 -39.00 -56.46 -52.55 -53.71 . . 0 "[ . 1 . 2]"
36 PSI 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 ALA N -62.50 -2.50 -52.74 -62.53 -43.12 0.03 6 0 "[ . 1 . 2]"
37 PHI 1 30 ARG C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -129.70 -69.70 -93.69 -98.23 -100.80 . . 0 "[ . 1 . 2]"
38 PSI 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 LYS N -23.60 36.40 17.04 26.10 24.85 . . 0 "[ . 1 . 2]"
39 PHI 1 31 ALA C 1 32 LYS N 1 32 LYS CA 1 32 LYS C 29.60 89.60 40.38 34.25 60.10 . . 0 "[ . 1 . 2]"
40 PSI 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 LEU N 10.50 70.50 45.85 34.13 53.87 . . 0 "[ . 1 . 2]"
41 PHI 1 32 LYS C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -158.90 -98.90 -132.80 -131.61 -136.59 . . 0 "[ . 1 . 2]"
42 PSI 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 TRP N 123.70 -176.30 140.12 131.11 128.27 . . 0 "[ . 1 . 2]"
43 PHI 1 33 LEU C 1 34 TRP N 1 34 TRP CA 1 34 TRP C -158.00 -98.00 -128.93 -157.45 -109.46 . . 0 "[ . 1 . 2]"
44 PSI 1 34 TRP N 1 34 TRP CA 1 34 TRP C 1 35 ALA N 104.00 164.00 116.75 105.85 133.99 . . 0 "[ . 1 . 2]"
45 PHI 1 34 TRP C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -140.50 -80.50 -91.63 -105.93 -80.71 . . 0 "[ . 1 . 2]"
46 PSI 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 CYS N 88.60 148.60 137.14 129.00 145.38 . . 0 "[ . 1 . 2]"
47 PHI 1 35 ALA C 1 36 CYS N 1 36 CYS CA 1 36 CYS C -126.40 -66.40 -69.96 -77.06 -66.29 0.11 12 0 "[ . 1 . 2]"
48 PSI 1 36 CYS N 1 36 CYS CA 1 36 CYS C 1 37 ASN N 94.10 154.10 151.09 152.53 151.39 0.10 16 0 "[ . 1 . 2]"
49 PHI 1 36 CYS C 1 37 ASN N 1 37 ASN CA 1 37 ASN C -91.90 -31.90 -91.93 -92.64 -90.08 0.74 18 0 "[ . 1 . 2]"
50 PSI 1 37 ASN N 1 37 ASN CA 1 37 ASN C 1 38 PHE N -59.60 0.40 -17.17 -25.72 -2.93 . . 0 "[ . 1 . 2]"
51 PHI 1 41 GLN C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -120.50 -60.50 -73.02 -69.32 -70.60 . . 0 "[ . 1 . 2]"
52 PSI 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 ASN N 96.70 156.70 125.89 116.46 134.52 . . 0 "[ . 1 . 2]"
53 PHI 1 42 ARG C 1 43 ASN N 1 43 ASN CA 1 43 ASN C -143.10 -83.10 -131.42 -125.16 -127.03 . . 0 "[ . 1 . 2]"
54 PSI 1 43 ASN N 1 43 ASN CA 1 43 ASN C 1 44 GLN N 114.80 174.80 155.15 154.49 149.63 0.08 19 0 "[ . 1 . 2]"
55 PHI 1 43 ASN C 1 44 GLN N 1 44 GLN CA 1 44 GLN C -119.10 -59.10 -93.79 -113.84 -58.84 0.26 7 0 "[ . 1 . 2]"
56 PSI 1 44 GLN N 1 44 GLN CA 1 44 GLN C 1 45 PHE N 95.20 155.20 147.91 144.43 144.21 0.06 15 0 "[ . 1 . 2]"
57 PHI 1 44 GLN C 1 45 PHE N 1 45 PHE CA 1 45 PHE C -112.00 -52.00 -57.05 -61.25 -64.98 0.10 12 0 "[ . 1 . 2]"
58 PSI 1 45 PHE N 1 45 PHE CA 1 45 PHE C 1 46 PRO N 109.80 169.80 148.59 142.90 154.42 . . 0 "[ . 1 . 2]"
59 PSI 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 SER N -56.30 3.70 -32.41 -50.86 2.97 . . 0 "[ . 1 . 2]"
60 PHI 1 52 ILE C 1 53 SER N 1 53 SER CA 1 53 SER C -96.40 -36.40 -63.36 -86.33 -40.64 . . 0 "[ . 1 . 2]"
61 PSI 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 GLU N -59.90 0.10 -48.87 -56.54 -34.65 . . 0 "[ . 1 . 2]"
62 PHI 1 53 SER C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -101.70 -41.70 -51.08 -46.19 -47.86 . . 0 "[ . 1 . 2]"
63 PSI 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 LEU N -54.80 5.20 -46.37 -54.37 -28.93 . . 0 "[ . 1 . 2]"
64 PSI 1 58 PRO N 1 58 PRO CA 1 58 PRO C 1 59 ALA N 108.40 168.40 132.05 114.38 162.21 . . 0 "[ . 1 . 2]"
stop_
save_
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