NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461239 |
2dl8   |
11225 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2dl8
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 264
_TA_constraint_stats_list.Viol_count 95
_TA_constraint_stats_list.Viol_total 1569.68
_TA_constraint_stats_list.Viol_max 2.23
_TA_constraint_stats_list.Viol_rms 0.14
_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 -98.71 51.02 -51.79 . . 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 -98.71 51.02 -51.79 . . 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 -98.71 51.02 -51.79 . . 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 -124.90 -88.09 -151.89 . . 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 -124.90 -88.09 -151.89 . . 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 -124.90 -88.09 -151.89 . . 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 -95.88 56.92 -56.41 . . 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 -95.88 56.92 -56.41 . . 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 -95.88 56.92 -56.41 . . 0 "[ . 1 . 2]"
10 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG -90.00 -150.00 169.13 50.83 -60.73 . . 0 "[ . 1 . 2]"
11 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 30.00 -30.00 169.13 50.83 -60.73 . . 0 "[ . 1 . 2]"
12 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 150.00 90.00 169.13 50.83 -60.73 . . 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 1.82 70.00 -63.99 . . 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 1.82 70.00 -63.99 . . 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 1.82 70.00 -63.99 . . 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 -169.46 47.55 -67.95 . . 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 -169.46 47.55 -67.95 . . 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 -169.46 47.55 -67.95 . . 0 "[ . 1 . 2]"
19 CHI1 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 -90.00 -150.00 -53.60 -58.36 -45.61 . . 0 "[ . 1 . 2]"
20 CHI1 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 30.00 -30.00 -53.60 -58.36 -45.61 . . 0 "[ . 1 . 2]"
21 CHI1 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 150.00 90.00 -53.60 -58.36 -45.61 . . 0 "[ . 1 . 2]"
22 CHI21 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 1 10 ILE CD1 -90.00 -150.00 165.02 163.46 162.47 . . 0 "[ . 1 . 2]"
23 CHI21 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 1 10 ILE CD1 30.00 -30.00 165.02 163.46 162.47 . . 0 "[ . 1 . 2]"
24 CHI21 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 1 10 ILE CD1 150.00 90.00 165.02 163.46 162.47 . . 0 "[ . 1 . 2]"
25 CHI1 1 11 GLU N 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG -90.00 -150.00 -85.66 -90.21 -79.57 0.21 11 0 "[ . 1 . 2]"
26 CHI1 1 11 GLU N 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG 30.00 -30.00 -85.66 -90.21 -79.57 . . 0 "[ . 1 . 2]"
27 CHI1 1 11 GLU N 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG 150.00 90.00 -85.66 -90.21 -79.57 . . 0 "[ . 1 . 2]"
28 CHI2 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG 1 11 GLU CD -90.00 -150.00 155.40 153.73 153.06 . . 0 "[ . 1 . 2]"
29 CHI2 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG 1 11 GLU CD 30.00 -30.00 155.40 153.73 153.06 . . 0 "[ . 1 . 2]"
30 CHI2 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG 1 11 GLU CD 150.00 90.00 155.40 153.73 153.06 . . 0 "[ . 1 . 2]"
31 CHI1 1 13 ILE N 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 -90.00 -150.00 -58.45 -57.54 -58.26 . . 0 "[ . 1 . 2]"
32 CHI1 1 13 ILE N 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 30.00 -30.00 -58.45 -57.54 -58.26 . . 0 "[ . 1 . 2]"
33 CHI1 1 13 ILE N 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 150.00 90.00 -58.45 -57.54 -58.26 . . 0 "[ . 1 . 2]"
34 CHI21 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 1 13 ILE CD1 -90.00 -150.00 -60.54 -71.04 -51.44 . . 0 "[ . 1 . 2]"
35 CHI21 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 1 13 ILE CD1 30.00 -30.00 -60.54 -71.04 -51.44 . . 0 "[ . 1 . 2]"
36 CHI21 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 1 13 ILE CD1 150.00 90.00 -60.54 -71.04 -51.44 . . 0 "[ . 1 . 2]"
37 CHI1 1 15 LYS N 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG -90.00 -150.00 -107.73 -147.81 -148.32 2.23 17 0 "[ . 1 . 2]"
38 CHI1 1 15 LYS N 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 30.00 -30.00 -107.73 -147.81 -148.32 . . 0 "[ . 1 . 2]"
39 CHI1 1 15 LYS N 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 150.00 90.00 -107.73 -147.81 -148.32 . . 0 "[ . 1 . 2]"
40 CHI2 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD -90.00 -150.00 -160.40 161.83 160.20 0.36 6 0 "[ . 1 . 2]"
41 CHI2 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 30.00 -30.00 -160.40 161.83 160.20 . . 0 "[ . 1 . 2]"
42 CHI2 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 150.00 90.00 -160.40 161.83 160.20 . . 0 "[ . 1 . 2]"
43 CHI3 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE -90.00 -150.00 6.31 90.69 90.41 . . 0 "[ . 1 . 2]"
44 CHI3 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 30.00 -30.00 6.31 90.69 90.41 . . 0 "[ . 1 . 2]"
45 CHI3 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 150.00 90.00 6.31 90.69 90.41 0.69 2 0 "[ . 1 . 2]"
46 CHI4 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 1 15 LYS NZ -90.00 -150.00 -169.28 79.26 -80.53 . . 0 "[ . 1 . 2]"
47 CHI4 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 1 15 LYS NZ 30.00 -30.00 -169.28 79.26 -80.53 . . 0 "[ . 1 . 2]"
48 CHI4 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 1 15 LYS NZ 150.00 90.00 -169.28 79.26 -80.53 . . 0 "[ . 1 . 2]"
49 CHI1 1 16 PHE N 1 16 PHE CA 1 16 PHE CB 1 16 PHE CG -90.00 -150.00 -39.22 -46.01 -50.45 . . 0 "[ . 1 . 2]"
50 CHI1 1 16 PHE N 1 16 PHE CA 1 16 PHE CB 1 16 PHE CG 30.00 -30.00 -39.22 -46.01 -50.45 . . 0 "[ . 1 . 2]"
51 CHI1 1 16 PHE N 1 16 PHE CA 1 16 PHE CB 1 16 PHE CG 150.00 90.00 -39.22 -46.01 -50.45 . . 0 "[ . 1 . 2]"
52 CHI1 1 17 ASP N 1 17 ASP CA 1 17 ASP CB 1 17 ASP CG -90.00 -150.00 45.81 48.05 46.45 . . 0 "[ . 1 . 2]"
53 CHI1 1 17 ASP N 1 17 ASP CA 1 17 ASP CB 1 17 ASP CG 30.00 -30.00 45.81 48.05 46.45 . . 0 "[ . 1 . 2]"
54 CHI1 1 17 ASP N 1 17 ASP CA 1 17 ASP CB 1 17 ASP CG 150.00 90.00 45.81 48.05 46.45 1.04 17 0 "[ . 1 . 2]"
55 CHI1 1 18 TYR N 1 18 TYR CA 1 18 TYR CB 1 18 TYR CG -90.00 -150.00 -172.50 177.82 -167.39 . . 0 "[ . 1 . 2]"
56 CHI1 1 18 TYR N 1 18 TYR CA 1 18 TYR CB 1 18 TYR CG 30.00 -30.00 -172.50 177.82 -167.39 . . 0 "[ . 1 . 2]"
57 CHI1 1 18 TYR N 1 18 TYR CA 1 18 TYR CB 1 18 TYR CG 150.00 90.00 -172.50 177.82 -167.39 . . 0 "[ . 1 . 2]"
58 CHI1 1 19 VAL N 1 19 VAL CA 1 19 VAL CB 1 19 VAL CG1 -90.00 -150.00 56.87 61.73 60.38 . . 0 "[ . 1 . 2]"
59 CHI1 1 19 VAL N 1 19 VAL CA 1 19 VAL CB 1 19 VAL CG1 30.00 -30.00 56.87 61.73 60.38 . . 0 "[ . 1 . 2]"
60 CHI1 1 19 VAL N 1 19 VAL CA 1 19 VAL CB 1 19 VAL CG1 150.00 90.00 56.87 61.73 60.38 . . 0 "[ . 1 . 2]"
61 CHI1 1 21 ARG N 1 21 ARG CA 1 21 ARG CB 1 21 ARG CG -90.00 -150.00 -76.60 -74.38 -75.02 1.28 9 0 "[ . 1 . 2]"
62 CHI1 1 21 ARG N 1 21 ARG CA 1 21 ARG CB 1 21 ARG CG 30.00 -30.00 -76.60 -74.38 -75.02 . . 0 "[ . 1 . 2]"
63 CHI1 1 21 ARG N 1 21 ARG CA 1 21 ARG CB 1 21 ARG CG 150.00 90.00 -76.60 -74.38 -75.02 . . 0 "[ . 1 . 2]"
64 CHI2 1 21 ARG CA 1 21 ARG CB 1 21 ARG CG 1 21 ARG CD -90.00 -150.00 -149.10 163.95 -70.14 0.66 15 0 "[ . 1 . 2]"
65 CHI2 1 21 ARG CA 1 21 ARG CB 1 21 ARG CG 1 21 ARG CD 30.00 -30.00 -149.10 163.95 -70.14 . . 0 "[ . 1 . 2]"
66 CHI2 1 21 ARG CA 1 21 ARG CB 1 21 ARG CG 1 21 ARG CD 150.00 90.00 -149.10 163.95 -70.14 . . 0 "[ . 1 . 2]"
67 CHI3 1 21 ARG CB 1 21 ARG CG 1 21 ARG CD 1 21 ARG NE -90.00 -150.00 -112.08 72.63 -61.89 . . 0 "[ . 1 . 2]"
68 CHI3 1 21 ARG CB 1 21 ARG CG 1 21 ARG CD 1 21 ARG NE 30.00 -30.00 -112.08 72.63 -61.89 . . 0 "[ . 1 . 2]"
69 CHI3 1 21 ARG CB 1 21 ARG CG 1 21 ARG CD 1 21 ARG NE 150.00 90.00 -112.08 72.63 -61.89 . . 0 "[ . 1 . 2]"
70 CHI1 1 22 THR N 1 22 THR CA 1 22 THR CB 1 22 THR OG1 -90.00 -150.00 61.66 61.90 60.95 . . 0 "[ . 1 . 2]"
71 CHI1 1 22 THR N 1 22 THR CA 1 22 THR CB 1 22 THR OG1 30.00 -30.00 61.66 61.90 60.95 . . 0 "[ . 1 . 2]"
72 CHI1 1 22 THR N 1 22 THR CA 1 22 THR CB 1 22 THR OG1 150.00 90.00 61.66 61.90 60.95 . . 0 "[ . 1 . 2]"
73 CHI1 1 24 ARG N 1 24 ARG CA 1 24 ARG CB 1 24 ARG CG -90.00 -150.00 -84.30 -90.28 -70.09 0.28 17 0 "[ . 1 . 2]"
74 CHI1 1 24 ARG N 1 24 ARG CA 1 24 ARG CB 1 24 ARG CG 30.00 -30.00 -84.30 -90.28 -70.09 . . 0 "[ . 1 . 2]"
75 CHI1 1 24 ARG N 1 24 ARG CA 1 24 ARG CB 1 24 ARG CG 150.00 90.00 -84.30 -90.28 -70.09 . . 0 "[ . 1 . 2]"
76 CHI2 1 24 ARG CA 1 24 ARG CB 1 24 ARG CG 1 24 ARG CD -90.00 -150.00 -120.12 87.26 -68.53 0.00 10 0 "[ . 1 . 2]"
77 CHI2 1 24 ARG CA 1 24 ARG CB 1 24 ARG CG 1 24 ARG CD 30.00 -30.00 -120.12 87.26 -68.53 . . 0 "[ . 1 . 2]"
78 CHI2 1 24 ARG CA 1 24 ARG CB 1 24 ARG CG 1 24 ARG CD 150.00 90.00 -120.12 87.26 -68.53 . . 0 "[ . 1 . 2]"
79 CHI3 1 24 ARG CB 1 24 ARG CG 1 24 ARG CD 1 24 ARG NE -90.00 -150.00 -171.39 154.04 -85.74 . . 0 "[ . 1 . 2]"
80 CHI3 1 24 ARG CB 1 24 ARG CG 1 24 ARG CD 1 24 ARG NE 30.00 -30.00 -171.39 154.04 -85.74 . . 0 "[ . 1 . 2]"
81 CHI3 1 24 ARG CB 1 24 ARG CG 1 24 ARG CD 1 24 ARG NE 150.00 90.00 -171.39 154.04 -85.74 . . 0 "[ . 1 . 2]"
82 CHI1 1 25 GLU N 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG -90.00 -150.00 -69.19 -76.45 -78.55 0.38 19 0 "[ . 1 . 2]"
83 CHI1 1 25 GLU N 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 30.00 -30.00 -69.19 -76.45 -78.55 . . 0 "[ . 1 . 2]"
84 CHI1 1 25 GLU N 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 150.00 90.00 -69.19 -76.45 -78.55 . . 0 "[ . 1 . 2]"
85 CHI2 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 1 25 GLU CD -90.00 -150.00 -154.89 -54.72 -56.92 0.56 19 0 "[ . 1 . 2]"
86 CHI2 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 1 25 GLU CD 30.00 -30.00 -154.89 -54.72 -56.92 . . 0 "[ . 1 . 2]"
87 CHI2 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 1 25 GLU CD 150.00 90.00 -154.89 -54.72 -56.92 . . 0 "[ . 1 . 2]"
88 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG -90.00 -150.00 -53.89 -46.54 -48.29 . . 0 "[ . 1 . 2]"
89 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 30.00 -30.00 -53.89 -46.54 -48.29 . . 0 "[ . 1 . 2]"
90 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 150.00 90.00 -53.89 -46.54 -48.29 . . 0 "[ . 1 . 2]"
91 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 -90.00 -150.00 170.10 165.61 174.46 . . 0 "[ . 1 . 2]"
92 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 30.00 -30.00 170.10 165.61 174.46 . . 0 "[ . 1 . 2]"
93 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 150.00 90.00 170.10 165.61 174.46 . . 0 "[ . 1 . 2]"
94 CHI1 1 27 SER N 1 27 SER CA 1 27 SER CB 1 27 SER OG -90.00 -150.00 85.42 150.37 79.32 . . 0 "[ . 1 . 2]"
95 CHI1 1 27 SER N 1 27 SER CA 1 27 SER CB 1 27 SER OG 30.00 -30.00 85.42 150.37 79.32 . . 0 "[ . 1 . 2]"
96 CHI1 1 27 SER N 1 27 SER CA 1 27 SER CB 1 27 SER OG 150.00 90.00 85.42 150.37 79.32 . . 0 "[ . 1 . 2]"
97 CHI1 1 28 PHE N 1 28 PHE CA 1 28 PHE CB 1 28 PHE CG -90.00 -150.00 47.76 44.68 51.15 . . 0 "[ . 1 . 2]"
98 CHI1 1 28 PHE N 1 28 PHE CA 1 28 PHE CB 1 28 PHE CG 30.00 -30.00 47.76 44.68 51.15 . . 0 "[ . 1 . 2]"
99 CHI1 1 28 PHE N 1 28 PHE CA 1 28 PHE CB 1 28 PHE CG 150.00 90.00 47.76 44.68 51.15 . . 0 "[ . 1 . 2]"
100 CHI1 1 29 LYS N 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG -90.00 -150.00 -67.81 -91.24 -46.82 1.24 6 0 "[ . 1 . 2]"
101 CHI1 1 29 LYS N 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG 30.00 -30.00 -67.81 -91.24 -46.82 . . 0 "[ . 1 . 2]"
102 CHI1 1 29 LYS N 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG 150.00 90.00 -67.81 -91.24 -46.82 . . 0 "[ . 1 . 2]"
103 CHI2 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG 1 29 LYS CD -90.00 -150.00 -55.14 -76.15 -79.71 . . 0 "[ . 1 . 2]"
104 CHI2 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG 1 29 LYS CD 30.00 -30.00 -55.14 -76.15 -79.71 . . 0 "[ . 1 . 2]"
105 CHI2 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG 1 29 LYS CD 150.00 90.00 -55.14 -76.15 -79.71 1.65 17 0 "[ . 1 . 2]"
106 CHI3 1 29 LYS CB 1 29 LYS CG 1 29 LYS CD 1 29 LYS CE -90.00 -150.00 164.73 76.93 -76.08 0.52 6 0 "[ . 1 . 2]"
107 CHI3 1 29 LYS CB 1 29 LYS CG 1 29 LYS CD 1 29 LYS CE 30.00 -30.00 164.73 76.93 -76.08 . . 0 "[ . 1 . 2]"
108 CHI3 1 29 LYS CB 1 29 LYS CG 1 29 LYS CD 1 29 LYS CE 150.00 90.00 164.73 76.93 -76.08 . . 0 "[ . 1 . 2]"
109 CHI4 1 29 LYS CG 1 29 LYS CD 1 29 LYS CE 1 29 LYS NZ -90.00 -150.00 153.31 66.07 -34.95 . . 0 "[ . 1 . 2]"
110 CHI4 1 29 LYS CG 1 29 LYS CD 1 29 LYS CE 1 29 LYS NZ 30.00 -30.00 153.31 66.07 -34.95 . . 0 "[ . 1 . 2]"
111 CHI4 1 29 LYS CG 1 29 LYS CD 1 29 LYS CE 1 29 LYS NZ 150.00 90.00 153.31 66.07 -34.95 0.04 2 0 "[ . 1 . 2]"
112 CHI1 1 30 LYS N 1 30 LYS CA 1 30 LYS CB 1 30 LYS CG -90.00 -150.00 179.99 -178.82 -179.42 . . 0 "[ . 1 . 2]"
113 CHI1 1 30 LYS N 1 30 LYS CA 1 30 LYS CB 1 30 LYS CG 30.00 -30.00 179.99 -178.82 -179.42 . . 0 "[ . 1 . 2]"
114 CHI1 1 30 LYS N 1 30 LYS CA 1 30 LYS CB 1 30 LYS CG 150.00 90.00 179.99 -178.82 -179.42 . . 0 "[ . 1 . 2]"
115 CHI2 1 30 LYS CA 1 30 LYS CB 1 30 LYS CG 1 30 LYS CD -90.00 -150.00 172.07 158.04 -169.70 . . 0 "[ . 1 . 2]"
116 CHI2 1 30 LYS CA 1 30 LYS CB 1 30 LYS CG 1 30 LYS CD 30.00 -30.00 172.07 158.04 -169.70 . . 0 "[ . 1 . 2]"
117 CHI2 1 30 LYS CA 1 30 LYS CB 1 30 LYS CG 1 30 LYS CD 150.00 90.00 172.07 158.04 -169.70 . . 0 "[ . 1 . 2]"
118 CHI3 1 30 LYS CB 1 30 LYS CG 1 30 LYS CD 1 30 LYS CE -90.00 -150.00 174.90 152.86 -66.03 . . 0 "[ . 1 . 2]"
119 CHI3 1 30 LYS CB 1 30 LYS CG 1 30 LYS CD 1 30 LYS CE 30.00 -30.00 174.90 152.86 -66.03 . . 0 "[ . 1 . 2]"
120 CHI3 1 30 LYS CB 1 30 LYS CG 1 30 LYS CD 1 30 LYS CE 150.00 90.00 174.90 152.86 -66.03 . . 0 "[ . 1 . 2]"
121 CHI4 1 30 LYS CG 1 30 LYS CD 1 30 LYS CE 1 30 LYS NZ -90.00 -150.00 -148.36 83.08 -69.48 . . 0 "[ . 1 . 2]"
122 CHI4 1 30 LYS CG 1 30 LYS CD 1 30 LYS CE 1 30 LYS NZ 30.00 -30.00 -148.36 83.08 -69.48 . . 0 "[ . 1 . 2]"
123 CHI4 1 30 LYS CG 1 30 LYS CD 1 30 LYS CE 1 30 LYS NZ 150.00 90.00 -148.36 83.08 -69.48 . . 0 "[ . 1 . 2]"
124 CHI1 1 33 SER N 1 33 SER CA 1 33 SER CB 1 33 SER OG -90.00 -150.00 -178.00 -177.97 178.59 . . 0 "[ . 1 . 2]"
125 CHI1 1 33 SER N 1 33 SER CA 1 33 SER CB 1 33 SER OG 30.00 -30.00 -178.00 -177.97 178.59 . . 0 "[ . 1 . 2]"
126 CHI1 1 33 SER N 1 33 SER CA 1 33 SER CB 1 33 SER OG 150.00 90.00 -178.00 -177.97 178.59 . . 0 "[ . 1 . 2]"
127 CHI1 1 34 LEU N 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG -90.00 -150.00 -49.54 -49.13 -49.45 . . 0 "[ . 1 . 2]"
128 CHI1 1 34 LEU N 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG 30.00 -30.00 -49.54 -49.13 -49.45 . . 0 "[ . 1 . 2]"
129 CHI1 1 34 LEU N 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG 150.00 90.00 -49.54 -49.13 -49.45 . . 0 "[ . 1 . 2]"
130 CHI2 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG 1 34 LEU CD1 -90.00 -150.00 152.71 149.99 149.92 . . 0 "[ . 1 . 2]"
131 CHI2 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG 1 34 LEU CD1 30.00 -30.00 152.71 149.99 149.92 . . 0 "[ . 1 . 2]"
132 CHI2 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG 1 34 LEU CD1 150.00 90.00 152.71 149.99 149.92 0.08 1 0 "[ . 1 . 2]"
133 CHI1 1 35 LEU N 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG -90.00 -150.00 -149.21 -148.36 -148.67 1.97 4 0 "[ . 1 . 2]"
134 CHI1 1 35 LEU N 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 30.00 -30.00 -149.21 -148.36 -148.67 . . 0 "[ . 1 . 2]"
135 CHI1 1 35 LEU N 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 150.00 90.00 -149.21 -148.36 -148.67 . . 0 "[ . 1 . 2]"
136 CHI2 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 1 35 LEU CD1 -90.00 -150.00 73.21 77.21 75.53 . . 0 "[ . 1 . 2]"
137 CHI2 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 1 35 LEU CD1 30.00 -30.00 73.21 77.21 75.53 . . 0 "[ . 1 . 2]"
138 CHI2 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 1 35 LEU CD1 150.00 90.00 73.21 77.21 75.53 . . 0 "[ . 1 . 2]"
139 CHI1 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG -90.00 -150.00 -54.35 -52.24 -53.17 . . 0 "[ . 1 . 2]"
140 CHI1 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 30.00 -30.00 -54.35 -52.24 -53.17 . . 0 "[ . 1 . 2]"
141 CHI1 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 150.00 90.00 -54.35 -52.24 -53.17 . . 0 "[ . 1 . 2]"
142 CHI2 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 -90.00 -150.00 -174.28 178.16 -169.02 . . 0 "[ . 1 . 2]"
143 CHI2 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 30.00 -30.00 -174.28 178.16 -169.02 . . 0 "[ . 1 . 2]"
144 CHI2 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 150.00 90.00 -174.28 178.16 -169.02 . . 0 "[ . 1 . 2]"
145 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG -90.00 -150.00 -60.60 -60.55 -61.48 . . 0 "[ . 1 . 2]"
146 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 30.00 -30.00 -60.60 -60.55 -61.48 . . 0 "[ . 1 . 2]"
147 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 150.00 90.00 -60.60 -60.55 -61.48 . . 0 "[ . 1 . 2]"
148 CHI1 1 38 GLN N 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG -90.00 -150.00 -95.85 44.79 -80.96 0.87 5 0 "[ . 1 . 2]"
149 CHI1 1 38 GLN N 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 30.00 -30.00 -95.85 44.79 -80.96 . . 0 "[ . 1 . 2]"
150 CHI1 1 38 GLN N 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 150.00 90.00 -95.85 44.79 -80.96 2.01 14 0 "[ . 1 . 2]"
151 CHI2 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 1 38 GLN CD -90.00 -150.00 -144.55 155.06 -52.29 0.75 20 0 "[ . 1 . 2]"
152 CHI2 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 1 38 GLN CD 30.00 -30.00 -144.55 155.06 -52.29 . . 0 "[ . 1 . 2]"
153 CHI2 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 1 38 GLN CD 150.00 90.00 -144.55 155.06 -52.29 . . 0 "[ . 1 . 2]"
154 CHI1 1 39 ARG N 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG -90.00 -150.00 -178.16 -177.20 -178.53 . . 0 "[ . 1 . 2]"
155 CHI1 1 39 ARG N 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG 30.00 -30.00 -178.16 -177.20 -178.53 . . 0 "[ . 1 . 2]"
156 CHI1 1 39 ARG N 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG 150.00 90.00 -178.16 -177.20 -178.53 . . 0 "[ . 1 . 2]"
157 CHI2 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG 1 39 ARG CD -90.00 -150.00 89.80 88.69 90.91 . . 0 "[ . 1 . 2]"
158 CHI2 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG 1 39 ARG CD 30.00 -30.00 89.80 88.69 90.91 . . 0 "[ . 1 . 2]"
159 CHI2 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG 1 39 ARG CD 150.00 90.00 89.80 88.69 90.91 0.91 14 0 "[ . 1 . 2]"
160 CHI3 1 39 ARG CB 1 39 ARG CG 1 39 ARG CD 1 39 ARG NE -90.00 -150.00 158.74 151.48 168.33 . . 0 "[ . 1 . 2]"
161 CHI3 1 39 ARG CB 1 39 ARG CG 1 39 ARG CD 1 39 ARG NE 30.00 -30.00 158.74 151.48 168.33 . . 0 "[ . 1 . 2]"
162 CHI3 1 39 ARG CB 1 39 ARG CG 1 39 ARG CD 1 39 ARG NE 150.00 90.00 158.74 151.48 168.33 . . 0 "[ . 1 . 2]"
163 CHI1 1 41 SER N 1 41 SER CA 1 41 SER CB 1 41 SER OG -90.00 -150.00 -135.74 -168.47 -51.09 0.24 19 0 "[ . 1 . 2]"
164 CHI1 1 41 SER N 1 41 SER CA 1 41 SER CB 1 41 SER OG 30.00 -30.00 -135.74 -168.47 -51.09 . . 0 "[ . 1 . 2]"
165 CHI1 1 41 SER N 1 41 SER CA 1 41 SER CB 1 41 SER OG 150.00 90.00 -135.74 -168.47 -51.09 . . 0 "[ . 1 . 2]"
166 CHI1 1 42 ASP N 1 42 ASP CA 1 42 ASP CB 1 42 ASP CG -90.00 -150.00 -54.91 -45.75 -54.12 . . 0 "[ . 1 . 2]"
167 CHI1 1 42 ASP N 1 42 ASP CA 1 42 ASP CB 1 42 ASP CG 30.00 -30.00 -54.91 -45.75 -54.12 . . 0 "[ . 1 . 2]"
168 CHI1 1 42 ASP N 1 42 ASP CA 1 42 ASP CB 1 42 ASP CG 150.00 90.00 -54.91 -45.75 -54.12 . . 0 "[ . 1 . 2]"
169 CHI1 1 43 ASP N 1 43 ASP CA 1 43 ASP CB 1 43 ASP CG -90.00 -150.00 -101.43 -152.71 -68.79 0.06 11 0 "[ . 1 . 2]"
170 CHI1 1 43 ASP N 1 43 ASP CA 1 43 ASP CB 1 43 ASP CG 30.00 -30.00 -101.43 -152.71 -68.79 . . 0 "[ . 1 . 2]"
171 CHI1 1 43 ASP N 1 43 ASP CA 1 43 ASP CB 1 43 ASP CG 150.00 90.00 -101.43 -152.71 -68.79 . . 0 "[ . 1 . 2]"
172 CHI1 1 44 TRP N 1 44 TRP CA 1 44 TRP CB 1 44 TRP CG -90.00 -150.00 -70.25 -70.36 -70.58 . . 0 "[ . 1 . 2]"
173 CHI1 1 44 TRP N 1 44 TRP CA 1 44 TRP CB 1 44 TRP CG 30.00 -30.00 -70.25 -70.36 -70.58 . . 0 "[ . 1 . 2]"
174 CHI1 1 44 TRP N 1 44 TRP CA 1 44 TRP CB 1 44 TRP CG 150.00 90.00 -70.25 -70.36 -70.58 . . 0 "[ . 1 . 2]"
175 CHI1 1 45 TRP N 1 45 TRP CA 1 45 TRP CB 1 45 TRP CG -90.00 -150.00 -81.81 -84.13 -78.79 . . 0 "[ . 1 . 2]"
176 CHI1 1 45 TRP N 1 45 TRP CA 1 45 TRP CB 1 45 TRP CG 30.00 -30.00 -81.81 -84.13 -78.79 . . 0 "[ . 1 . 2]"
177 CHI1 1 45 TRP N 1 45 TRP CA 1 45 TRP CB 1 45 TRP CG 150.00 90.00 -81.81 -84.13 -78.79 . . 0 "[ . 1 . 2]"
178 CHI1 1 46 GLU N 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG -90.00 -150.00 -60.08 -62.34 -62.53 . . 0 "[ . 1 . 2]"
179 CHI1 1 46 GLU N 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG 30.00 -30.00 -60.08 -62.34 -62.53 . . 0 "[ . 1 . 2]"
180 CHI1 1 46 GLU N 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG 150.00 90.00 -60.08 -62.34 -62.53 . . 0 "[ . 1 . 2]"
181 CHI2 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG 1 46 GLU CD -90.00 -150.00 -150.83 -154.61 -149.66 0.34 19 0 "[ . 1 . 2]"
182 CHI2 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG 1 46 GLU CD 30.00 -30.00 -150.83 -154.61 -149.66 . . 0 "[ . 1 . 2]"
183 CHI2 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG 1 46 GLU CD 150.00 90.00 -150.83 -154.61 -149.66 . . 0 "[ . 1 . 2]"
184 CHI1 1 48 ARG N 1 48 ARG CA 1 48 ARG CB 1 48 ARG CG -90.00 -150.00 174.85 166.28 -179.61 . . 0 "[ . 1 . 2]"
185 CHI1 1 48 ARG N 1 48 ARG CA 1 48 ARG CB 1 48 ARG CG 30.00 -30.00 174.85 166.28 -179.61 . . 0 "[ . 1 . 2]"
186 CHI1 1 48 ARG N 1 48 ARG CA 1 48 ARG CB 1 48 ARG CG 150.00 90.00 174.85 166.28 -179.61 . . 0 "[ . 1 . 2]"
187 CHI2 1 48 ARG CA 1 48 ARG CB 1 48 ARG CG 1 48 ARG CD -90.00 -150.00 -166.85 -163.82 -171.80 . . 0 "[ . 1 . 2]"
188 CHI2 1 48 ARG CA 1 48 ARG CB 1 48 ARG CG 1 48 ARG CD 30.00 -30.00 -166.85 -163.82 -171.80 . . 0 "[ . 1 . 2]"
189 CHI2 1 48 ARG CA 1 48 ARG CB 1 48 ARG CG 1 48 ARG CD 150.00 90.00 -166.85 -163.82 -171.80 . . 0 "[ . 1 . 2]"
190 CHI3 1 48 ARG CB 1 48 ARG CG 1 48 ARG CD 1 48 ARG NE -90.00 -150.00 -34.77 79.94 -63.66 . . 0 "[ . 1 . 2]"
191 CHI3 1 48 ARG CB 1 48 ARG CG 1 48 ARG CD 1 48 ARG NE 30.00 -30.00 -34.77 79.94 -63.66 . . 0 "[ . 1 . 2]"
192 CHI3 1 48 ARG CB 1 48 ARG CG 1 48 ARG CD 1 48 ARG NE 150.00 90.00 -34.77 79.94 -63.66 . . 0 "[ . 1 . 2]"
193 CHI1 1 49 HIS N 1 49 HIS CA 1 49 HIS CB 1 49 HIS CG -90.00 -150.00 170.81 167.29 164.61 . . 0 "[ . 1 . 2]"
194 CHI1 1 49 HIS N 1 49 HIS CA 1 49 HIS CB 1 49 HIS CG 30.00 -30.00 170.81 167.29 164.61 . . 0 "[ . 1 . 2]"
195 CHI1 1 49 HIS N 1 49 HIS CA 1 49 HIS CB 1 49 HIS CG 150.00 90.00 170.81 167.29 164.61 . . 0 "[ . 1 . 2]"
196 CHI1 1 50 ASN N 1 50 ASN CA 1 50 ASN CB 1 50 ASN CG -90.00 -150.00 -148.23 174.79 -67.51 . . 0 "[ . 1 . 2]"
197 CHI1 1 50 ASN N 1 50 ASN CA 1 50 ASN CB 1 50 ASN CG 30.00 -30.00 -148.23 174.79 -67.51 . . 0 "[ . 1 . 2]"
198 CHI1 1 50 ASN N 1 50 ASN CA 1 50 ASN CB 1 50 ASN CG 150.00 90.00 -148.23 174.79 -67.51 . . 0 "[ . 1 . 2]"
199 CHI1 1 52 ILE N 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 -90.00 -150.00 -54.15 -54.43 -55.40 . . 0 "[ . 1 . 2]"
200 CHI1 1 52 ILE N 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 30.00 -30.00 -54.15 -54.43 -55.40 . . 0 "[ . 1 . 2]"
201 CHI1 1 52 ILE N 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 150.00 90.00 -54.15 -54.43 -55.40 . . 0 "[ . 1 . 2]"
202 CHI21 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 1 52 ILE CD1 -90.00 -150.00 176.98 88.04 -61.39 . . 0 "[ . 1 . 2]"
203 CHI21 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 1 52 ILE CD1 30.00 -30.00 176.98 88.04 -61.39 . . 0 "[ . 1 . 2]"
204 CHI21 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 1 52 ILE CD1 150.00 90.00 176.98 88.04 -61.39 . . 0 "[ . 1 . 2]"
205 CHI1 1 53 ASP N 1 53 ASP CA 1 53 ASP CB 1 53 ASP CG -90.00 -150.00 79.05 79.27 75.96 . . 0 "[ . 1 . 2]"
206 CHI1 1 53 ASP N 1 53 ASP CA 1 53 ASP CB 1 53 ASP CG 30.00 -30.00 79.05 79.27 75.96 . . 0 "[ . 1 . 2]"
207 CHI1 1 53 ASP N 1 53 ASP CA 1 53 ASP CB 1 53 ASP CG 150.00 90.00 79.05 79.27 75.96 . . 0 "[ . 1 . 2]"
208 CHI1 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG -90.00 -150.00 -74.07 -88.67 -64.16 . . 0 "[ . 1 . 2]"
209 CHI1 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 30.00 -30.00 -74.07 -88.67 -64.16 . . 0 "[ . 1 . 2]"
210 CHI1 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 150.00 90.00 -74.07 -88.67 -64.16 . . 0 "[ . 1 . 2]"
211 CHI2 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 1 55 LEU CD1 -90.00 -150.00 171.48 170.63 168.58 . . 0 "[ . 1 . 2]"
212 CHI2 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 1 55 LEU CD1 30.00 -30.00 171.48 170.63 168.58 . . 0 "[ . 1 . 2]"
213 CHI2 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 1 55 LEU CD1 150.00 90.00 171.48 170.63 168.58 . . 0 "[ . 1 . 2]"
214 CHI1 1 56 ILE N 1 56 ILE CA 1 56 ILE CB 1 56 ILE CG1 -90.00 -150.00 -63.62 -63.27 -63.65 . . 0 "[ . 1 . 2]"
215 CHI1 1 56 ILE N 1 56 ILE CA 1 56 ILE CB 1 56 ILE CG1 30.00 -30.00 -63.62 -63.27 -63.65 . . 0 "[ . 1 . 2]"
216 CHI1 1 56 ILE N 1 56 ILE CA 1 56 ILE CB 1 56 ILE CG1 150.00 90.00 -63.62 -63.27 -63.65 . . 0 "[ . 1 . 2]"
217 CHI21 1 56 ILE CA 1 56 ILE CB 1 56 ILE CG1 1 56 ILE CD1 -90.00 -150.00 157.81 151.46 162.65 . . 0 "[ . 1 . 2]"
218 CHI21 1 56 ILE CA 1 56 ILE CB 1 56 ILE CG1 1 56 ILE CD1 30.00 -30.00 157.81 151.46 162.65 . . 0 "[ . 1 . 2]"
219 CHI21 1 56 ILE CA 1 56 ILE CB 1 56 ILE CG1 1 56 ILE CD1 150.00 90.00 157.81 151.46 162.65 . . 0 "[ . 1 . 2]"
220 CHI1 1 58 HIS N 1 58 HIS CA 1 58 HIS CB 1 58 HIS CG -90.00 -150.00 -177.63 177.76 -174.42 . . 0 "[ . 1 . 2]"
221 CHI1 1 58 HIS N 1 58 HIS CA 1 58 HIS CB 1 58 HIS CG 30.00 -30.00 -177.63 177.76 -174.42 . . 0 "[ . 1 . 2]"
222 CHI1 1 58 HIS N 1 58 HIS CA 1 58 HIS CB 1 58 HIS CG 150.00 90.00 -177.63 177.76 -174.42 . . 0 "[ . 1 . 2]"
223 CHI1 1 59 GLN N 1 59 GLN CA 1 59 GLN CB 1 59 GLN CG -90.00 -150.00 -70.32 -83.63 -47.96 . . 0 "[ . 1 . 2]"
224 CHI1 1 59 GLN N 1 59 GLN CA 1 59 GLN CB 1 59 GLN CG 30.00 -30.00 -70.32 -83.63 -47.96 . . 0 "[ . 1 . 2]"
225 CHI1 1 59 GLN N 1 59 GLN CA 1 59 GLN CB 1 59 GLN CG 150.00 90.00 -70.32 -83.63 -47.96 . . 0 "[ . 1 . 2]"
226 CHI2 1 59 GLN CA 1 59 GLN CB 1 59 GLN CG 1 59 GLN CD -90.00 -150.00 -73.14 -85.79 -151.82 . . 0 "[ . 1 . 2]"
227 CHI2 1 59 GLN CA 1 59 GLN CB 1 59 GLN CG 1 59 GLN CD 30.00 -30.00 -73.14 -85.79 -151.82 . . 0 "[ . 1 . 2]"
228 CHI2 1 59 GLN CA 1 59 GLN CB 1 59 GLN CG 1 59 GLN CD 150.00 90.00 -73.14 -85.79 -151.82 . . 0 "[ . 1 . 2]"
229 CHI1 1 60 TYR N 1 60 TYR CA 1 60 TYR CB 1 60 TYR CG -90.00 -150.00 -61.10 -67.34 -58.01 . . 0 "[ . 1 . 2]"
230 CHI1 1 60 TYR N 1 60 TYR CA 1 60 TYR CB 1 60 TYR CG 30.00 -30.00 -61.10 -67.34 -58.01 . . 0 "[ . 1 . 2]"
231 CHI1 1 60 TYR N 1 60 TYR CA 1 60 TYR CB 1 60 TYR CG 150.00 90.00 -61.10 -67.34 -58.01 . . 0 "[ . 1 . 2]"
232 CHI1 1 61 ILE N 1 61 ILE CA 1 61 ILE CB 1 61 ILE CG1 -90.00 -150.00 65.19 66.76 66.03 . . 0 "[ . 1 . 2]"
233 CHI1 1 61 ILE N 1 61 ILE CA 1 61 ILE CB 1 61 ILE CG1 30.00 -30.00 65.19 66.76 66.03 . . 0 "[ . 1 . 2]"
234 CHI1 1 61 ILE N 1 61 ILE CA 1 61 ILE CB 1 61 ILE CG1 150.00 90.00 65.19 66.76 66.03 . . 0 "[ . 1 . 2]"
235 CHI21 1 61 ILE CA 1 61 ILE CB 1 61 ILE CG1 1 61 ILE CD1 -90.00 -150.00 89.54 90.03 89.92 . . 0 "[ . 1 . 2]"
236 CHI21 1 61 ILE CA 1 61 ILE CB 1 61 ILE CG1 1 61 ILE CD1 30.00 -30.00 89.54 90.03 89.92 . . 0 "[ . 1 . 2]"
237 CHI21 1 61 ILE CA 1 61 ILE CB 1 61 ILE CG1 1 61 ILE CD1 150.00 90.00 89.54 90.03 89.92 1.25 19 0 "[ . 1 . 2]"
238 CHI1 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 -90.00 -150.00 179.48 178.29 177.76 . . 0 "[ . 1 . 2]"
239 CHI1 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 30.00 -30.00 179.48 178.29 177.76 . . 0 "[ . 1 . 2]"
240 CHI1 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 150.00 90.00 179.48 178.29 177.76 . . 0 "[ . 1 . 2]"
241 CHI1 1 63 VAL N 1 63 VAL CA 1 63 VAL CB 1 63 VAL CG1 -90.00 -150.00 176.51 169.93 179.96 . . 0 "[ . 1 . 2]"
242 CHI1 1 63 VAL N 1 63 VAL CA 1 63 VAL CB 1 63 VAL CG1 30.00 -30.00 176.51 169.93 179.96 . . 0 "[ . 1 . 2]"
243 CHI1 1 63 VAL N 1 63 VAL CA 1 63 VAL CB 1 63 VAL CG1 150.00 90.00 176.51 169.93 179.96 . . 0 "[ . 1 . 2]"
244 CHI1 1 64 GLN N 1 64 GLN CA 1 64 GLN CB 1 64 GLN CG -90.00 -150.00 -54.92 -55.71 -56.11 . . 0 "[ . 1 . 2]"
245 CHI1 1 64 GLN N 1 64 GLN CA 1 64 GLN CB 1 64 GLN CG 30.00 -30.00 -54.92 -55.71 -56.11 . . 0 "[ . 1 . 2]"
246 CHI1 1 64 GLN N 1 64 GLN CA 1 64 GLN CB 1 64 GLN CG 150.00 90.00 -54.92 -55.71 -56.11 . . 0 "[ . 1 . 2]"
247 CHI2 1 64 GLN CA 1 64 GLN CB 1 64 GLN CG 1 64 GLN CD -90.00 -150.00 -100.48 -87.67 -88.83 . . 0 "[ . 1 . 2]"
248 CHI2 1 64 GLN CA 1 64 GLN CB 1 64 GLN CG 1 64 GLN CD 30.00 -30.00 -100.48 -87.67 -88.83 . . 0 "[ . 1 . 2]"
249 CHI2 1 64 GLN CA 1 64 GLN CB 1 64 GLN CG 1 64 GLN CD 150.00 90.00 -100.48 -87.67 -88.83 . . 0 "[ . 1 . 2]"
250 CHI1 1 65 ASP N 1 65 ASP CA 1 65 ASP CB 1 65 ASP CG -90.00 -150.00 135.93 152.68 79.57 . . 0 "[ . 1 . 2]"
251 CHI1 1 65 ASP N 1 65 ASP CA 1 65 ASP CB 1 65 ASP CG 30.00 -30.00 135.93 152.68 79.57 . . 0 "[ . 1 . 2]"
252 CHI1 1 65 ASP N 1 65 ASP CA 1 65 ASP CB 1 65 ASP CG 150.00 90.00 135.93 152.68 79.57 . . 0 "[ . 1 . 2]"
253 CHI1 1 66 THR N 1 66 THR CA 1 66 THR CB 1 66 THR OG1 -90.00 -150.00 -152.23 -58.25 -173.04 . . 0 "[ . 1 . 2]"
254 CHI1 1 66 THR N 1 66 THR CA 1 66 THR CB 1 66 THR OG1 30.00 -30.00 -152.23 -58.25 -173.04 . . 0 "[ . 1 . 2]"
255 CHI1 1 66 THR N 1 66 THR CA 1 66 THR CB 1 66 THR OG1 150.00 90.00 -152.23 -58.25 -173.04 . . 0 "[ . 1 . 2]"
256 CHI1 1 67 SER N 1 67 SER CA 1 67 SER CB 1 67 SER OG -90.00 -150.00 179.34 54.73 -66.07 . . 0 "[ . 1 . 2]"
257 CHI1 1 67 SER N 1 67 SER CA 1 67 SER CB 1 67 SER OG 30.00 -30.00 179.34 54.73 -66.07 . . 0 "[ . 1 . 2]"
258 CHI1 1 67 SER N 1 67 SER CA 1 67 SER CB 1 67 SER OG 150.00 90.00 179.34 54.73 -66.07 . . 0 "[ . 1 . 2]"
259 CHI1 1 70 SER N 1 70 SER CA 1 70 SER CB 1 70 SER OG -90.00 -150.00 -102.61 -168.24 177.12 . . 0 "[ . 1 . 2]"
260 CHI1 1 70 SER N 1 70 SER CA 1 70 SER CB 1 70 SER OG 30.00 -30.00 -102.61 -168.24 177.12 . . 0 "[ . 1 . 2]"
261 CHI1 1 70 SER N 1 70 SER CA 1 70 SER CB 1 70 SER OG 150.00 90.00 -102.61 -168.24 177.12 . . 0 "[ . 1 . 2]"
262 CHI1 1 71 SER N 1 71 SER CA 1 71 SER CB 1 71 SER OG -90.00 -150.00 152.15 -81.85 -158.02 . . 0 "[ . 1 . 2]"
263 CHI1 1 71 SER N 1 71 SER CA 1 71 SER CB 1 71 SER OG 30.00 -30.00 152.15 -81.85 -158.02 . . 0 "[ . 1 . 2]"
264 CHI1 1 71 SER N 1 71 SER CA 1 71 SER CB 1 71 SER OG 150.00 90.00 152.15 -81.85 -158.02 . . 0 "[ . 1 . 2]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 40
_TA_constraint_stats_list.Viol_count 22
_TA_constraint_stats_list.Viol_total 42.28
_TA_constraint_stats_list.Viol_max 0.25
_TA_constraint_stats_list.Viol_rms 0.02
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.10
_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 PHI 1 10 ILE C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -136.70 -76.70 -77.40 -76.63 -76.65 0.20 5 0 "[ . 1 . 2]"
2 PSI 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 ALA N 101.90 161.90 112.24 105.31 122.11 . . 0 "[ . 1 . 2]"
3 PHI 1 11 GLU C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -163.90 -103.90 -111.80 -110.82 -112.90 . . 0 "[ . 1 . 2]"
4 PSI 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 ILE N 116.70 176.70 165.99 153.95 150.12 . . 0 "[ . 1 . 2]"
5 PHI 1 12 ALA C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -150.20 -90.20 -123.87 -138.16 -110.66 . . 0 "[ . 1 . 2]"
6 PSI 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 ALA N 105.70 165.70 135.42 128.90 148.93 . . 0 "[ . 1 . 2]"
7 PHI 1 17 ASP C 1 18 TYR N 1 18 TYR CA 1 18 TYR C -140.90 -80.90 -115.10 -120.32 -125.76 0.22 17 0 "[ . 1 . 2]"
8 PSI 1 18 TYR N 1 18 TYR CA 1 18 TYR C 1 19 VAL N 104.90 164.90 149.34 160.99 155.87 . . 0 "[ . 1 . 2]"
9 PHI 1 25 GLU C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -130.70 -70.70 -119.19 -129.30 -130.67 0.06 17 0 "[ . 1 . 2]"
10 PSI 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 SER N 123.90 -176.10 144.81 130.53 164.37 . . 0 "[ . 1 . 2]"
11 PHI 1 27 SER C 1 28 PHE N 1 28 PHE CA 1 28 PHE C -146.70 -86.70 -139.55 -146.95 -133.68 0.25 12 0 "[ . 1 . 2]"
12 PSI 1 28 PHE N 1 28 PHE CA 1 28 PHE C 1 29 LYS N 117.20 177.20 169.25 175.37 174.40 . . 0 "[ . 1 . 2]"
13 PHI 1 32 ALA C 1 33 SER N 1 33 SER CA 1 33 SER C -128.80 -68.80 -74.76 -88.95 -68.73 0.07 4 0 "[ . 1 . 2]"
14 PSI 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 LEU N 94.10 154.10 129.80 128.94 127.78 . . 0 "[ . 1 . 2]"
15 PHI 1 33 SER C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -133.10 -73.00 -127.03 -133.11 -120.49 0.01 3 0 "[ . 1 . 2]"
16 PSI 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 LEU N 115.00 175.00 138.83 132.61 154.94 . . 0 "[ . 1 . 2]"
17 PHI 1 34 LEU C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -157.10 -97.10 -99.68 -97.81 -98.41 0.04 18 0 "[ . 1 . 2]"
18 PSI 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 LEU N 113.30 173.30 137.21 124.23 144.82 . . 0 "[ . 1 . 2]"
19 PHI 1 35 LEU C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -119.00 -59.00 -113.71 -106.13 -114.71 0.18 19 0 "[ . 1 . 2]"
20 PSI 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 TYR N 95.60 155.60 137.19 141.92 139.86 . . 0 "[ . 1 . 2]"
21 PHI 1 38 GLN C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -107.90 -47.90 -86.51 -103.77 -71.86 . . 0 "[ . 1 . 2]"
22 PSI 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 ALA N 91.50 151.50 105.16 104.57 101.31 . . 0 "[ . 1 . 2]"
23 PHI 1 43 ASP C 1 44 TRP N 1 44 TRP CA 1 44 TRP C -167.70 -107.70 -155.51 -162.31 -148.33 . . 0 "[ . 1 . 2]"
24 PSI 1 44 TRP N 1 44 TRP CA 1 44 TRP C 1 45 TRP N 117.40 177.40 163.04 155.54 167.88 . . 0 "[ . 1 . 2]"
25 PHI 1 44 TRP C 1 45 TRP N 1 45 TRP CA 1 45 TRP C -146.00 -86.00 -141.61 -145.86 -136.62 . . 0 "[ . 1 . 2]"
26 PSI 1 45 TRP N 1 45 TRP CA 1 45 TRP C 1 46 GLU N 108.40 168.40 164.31 166.16 165.63 . . 0 "[ . 1 . 2]"
27 PHI 1 47 GLY C 1 48 ARG N 1 48 ARG CA 1 48 ARG C -156.70 -96.70 -137.20 -146.56 -130.31 . . 0 "[ . 1 . 2]"
28 PSI 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1 49 HIS N 104.70 164.70 146.00 132.33 164.21 . . 0 "[ . 1 . 2]"
29 PHI 1 48 ARG C 1 49 HIS N 1 49 HIS CA 1 49 HIS C -168.70 -108.70 -137.60 -139.05 -140.57 . . 0 "[ . 1 . 2]"
30 PSI 1 49 HIS N 1 49 HIS CA 1 49 HIS C 1 50 ASN N 91.30 151.30 119.42 96.10 134.99 . . 0 "[ . 1 . 2]"
31 PHI 1 51 GLY C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -138.80 -78.80 -129.47 -138.90 -95.74 0.10 16 0 "[ . 1 . 2]"
32 PSI 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 ASP N 114.50 174.50 117.62 118.37 117.22 . . 0 "[ . 1 . 2]"
33 PHI 1 52 ILE C 1 53 ASP N 1 53 ASP CA 1 53 ASP C -140.40 -80.40 -89.03 -94.01 -82.14 . . 0 "[ . 1 . 2]"
34 PSI 1 53 ASP N 1 53 ASP CA 1 53 ASP C 1 54 GLY N 105.80 165.80 129.75 126.70 125.53 . . 0 "[ . 1 . 2]"
35 PHI 1 54 GLY C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -148.30 -88.30 -107.48 -115.74 -96.10 . . 0 "[ . 1 . 2]"
36 PSI 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ILE N 105.50 165.50 150.07 154.69 152.94 . . 0 "[ . 1 . 2]"
37 PHI 1 55 LEU C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -169.20 -109.20 -133.41 -142.13 -121.62 . . 0 "[ . 1 . 2]"
38 PSI 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 PRO N 114.80 174.80 128.79 129.19 128.93 . . 0 "[ . 1 . 2]"
39 PHI 1 58 HIS C 1 59 GLN N 1 59 GLN CA 1 59 GLN C -98.10 -38.10 -94.23 -95.72 -96.13 . . 0 "[ . 1 . 2]"
40 PSI 1 59 GLN N 1 59 GLN CA 1 59 GLN C 1 60 TYR N -55.60 4.40 -21.86 -30.88 -13.06 . . 0 "[ . 1 . 2]"
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