NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506986 |
2dlo   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2dlo
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 279
_TA_constraint_stats_list.Viol_count 134
_TA_constraint_stats_list.Viol_total 4287.92
_TA_constraint_stats_list.Viol_max 7.76
_TA_constraint_stats_list.Viol_rms 0.35
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 1.60
_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 -153.27 -89.88 -156.50 . . 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 -153.27 -89.88 -156.50 . . 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 -153.27 -89.88 -156.50 . . 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 -148.13 -83.82 -152.18 . . 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 -148.13 -83.82 -152.18 . . 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 -148.13 -83.82 -152.18 . . 0 "[ . 1 . 2]"
7 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG -90.00 -150.00 117.01 53.59 -59.43 . . 0 "[ . 1 . 2]"
8 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 30.00 -30.00 117.01 53.59 -59.43 . . 0 "[ . 1 . 2]"
9 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 150.00 90.00 117.01 53.59 -59.43 . . 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 -161.92 -81.61 -155.49 . . 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 -161.92 -81.61 -155.49 . . 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 -161.92 -81.61 -155.49 . . 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 -162.80 60.24 -65.46 0.08 5 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 -162.80 60.24 -65.46 . . 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 -162.80 60.24 -65.46 . . 0 "[ . 1 . 2]"
16 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD -90.00 -150.00 150.77 46.21 -71.67 . . 0 "[ . 1 . 2]"
17 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD 30.00 -30.00 150.77 46.21 -71.67 . . 0 "[ . 1 . 2]"
18 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD 150.00 90.00 150.77 46.21 -71.67 . . 0 "[ . 1 . 2]"
19 CHI1 1 10 CYS N 1 10 CYS CA 1 10 CYS CB 1 10 CYS SG -90.00 -150.00 -64.27 56.24 -60.95 . . 0 "[ . 1 . 2]"
20 CHI1 1 10 CYS N 1 10 CYS CA 1 10 CYS CB 1 10 CYS SG 30.00 -30.00 -64.27 56.24 -60.95 . . 0 "[ . 1 . 2]"
21 CHI1 1 10 CYS N 1 10 CYS CA 1 10 CYS CB 1 10 CYS SG 150.00 90.00 -64.27 56.24 -60.95 . . 0 "[ . 1 . 2]"
22 CHI1 1 11 TYR N 1 11 TYR CA 1 11 TYR CB 1 11 TYR CG -90.00 -150.00 144.29 73.72 70.09 0.48 20 0 "[ . 1 . 2]"
23 CHI1 1 11 TYR N 1 11 TYR CA 1 11 TYR CB 1 11 TYR CG 30.00 -30.00 144.29 73.72 70.09 . . 0 "[ . 1 . 2]"
24 CHI1 1 11 TYR N 1 11 TYR CA 1 11 TYR CB 1 11 TYR CG 150.00 90.00 144.29 73.72 70.09 . . 0 "[ . 1 . 2]"
25 CHI1 1 12 VAL N 1 12 VAL CA 1 12 VAL CB 1 12 VAL CG1 -90.00 -150.00 -43.19 176.70 79.39 . . 0 "[ . 1 . 2]"
26 CHI1 1 12 VAL N 1 12 VAL CA 1 12 VAL CB 1 12 VAL CG1 30.00 -30.00 -43.19 176.70 79.39 . . 0 "[ . 1 . 2]"
27 CHI1 1 12 VAL N 1 12 VAL CA 1 12 VAL CB 1 12 VAL CG1 150.00 90.00 -43.19 176.70 79.39 . . 0 "[ . 1 . 2]"
28 CHI1 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR OG1 -90.00 -150.00 90.71 48.88 -171.78 . . 0 "[ . 1 . 2]"
29 CHI1 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR OG1 30.00 -30.00 90.71 48.88 -171.78 . . 0 "[ . 1 . 2]"
30 CHI1 1 14 THR N 1 14 THR CA 1 14 THR CB 1 14 THR OG1 150.00 90.00 90.71 48.88 -171.78 . . 0 "[ . 1 . 2]"
31 CHI1 1 15 LEU N 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG -90.00 -150.00 49.11 44.87 56.06 . . 0 "[ . 1 . 2]"
32 CHI1 1 15 LEU N 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG 30.00 -30.00 49.11 44.87 56.06 . . 0 "[ . 1 . 2]"
33 CHI1 1 15 LEU N 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG 150.00 90.00 49.11 44.87 56.06 . . 0 "[ . 1 . 2]"
34 CHI2 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG 1 15 LEU CD1 -90.00 -150.00 85.33 89.98 89.91 . . 0 "[ . 1 . 2]"
35 CHI2 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG 1 15 LEU CD1 30.00 -30.00 85.33 89.98 89.91 . . 0 "[ . 1 . 2]"
36 CHI2 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG 1 15 LEU CD1 150.00 90.00 85.33 89.98 89.91 0.26 15 0 "[ . 1 . 2]"
37 CHI1 1 16 GLU N 1 16 GLU CA 1 16 GLU CB 1 16 GLU CG -90.00 -150.00 -58.10 -59.62 -60.87 . . 0 "[ . 1 . 2]"
38 CHI1 1 16 GLU N 1 16 GLU CA 1 16 GLU CB 1 16 GLU CG 30.00 -30.00 -58.10 -59.62 -60.87 . . 0 "[ . 1 . 2]"
39 CHI1 1 16 GLU N 1 16 GLU CA 1 16 GLU CB 1 16 GLU CG 150.00 90.00 -58.10 -59.62 -60.87 . . 0 "[ . 1 . 2]"
40 CHI2 1 16 GLU CA 1 16 GLU CB 1 16 GLU CG 1 16 GLU CD -90.00 -150.00 -153.36 -156.46 -150.60 . . 0 "[ . 1 . 2]"
41 CHI2 1 16 GLU CA 1 16 GLU CB 1 16 GLU CG 1 16 GLU CD 30.00 -30.00 -153.36 -156.46 -150.60 . . 0 "[ . 1 . 2]"
42 CHI2 1 16 GLU CA 1 16 GLU CB 1 16 GLU CG 1 16 GLU CD 150.00 90.00 -153.36 -156.46 -150.60 . . 0 "[ . 1 . 2]"
43 CHI1 1 17 LYS N 1 17 LYS CA 1 17 LYS CB 1 17 LYS CG -90.00 -150.00 -90.72 -91.01 -91.12 3.05 13 0 "[ . 1 . 2]"
44 CHI1 1 17 LYS N 1 17 LYS CA 1 17 LYS CB 1 17 LYS CG 30.00 -30.00 -90.72 -91.01 -91.12 . . 0 "[ . 1 . 2]"
45 CHI1 1 17 LYS N 1 17 LYS CA 1 17 LYS CB 1 17 LYS CG 150.00 90.00 -90.72 -91.01 -91.12 . . 0 "[ . 1 . 2]"
46 CHI2 1 17 LYS CA 1 17 LYS CB 1 17 LYS CG 1 17 LYS CD -90.00 -150.00 -175.09 179.22 -161.24 . . 0 "[ . 1 . 2]"
47 CHI2 1 17 LYS CA 1 17 LYS CB 1 17 LYS CG 1 17 LYS CD 30.00 -30.00 -175.09 179.22 -161.24 . . 0 "[ . 1 . 2]"
48 CHI2 1 17 LYS CA 1 17 LYS CB 1 17 LYS CG 1 17 LYS CD 150.00 90.00 -175.09 179.22 -161.24 . . 0 "[ . 1 . 2]"
49 CHI3 1 17 LYS CB 1 17 LYS CG 1 17 LYS CD 1 17 LYS CE -90.00 -150.00 171.72 171.69 171.44 . . 0 "[ . 1 . 2]"
50 CHI3 1 17 LYS CB 1 17 LYS CG 1 17 LYS CD 1 17 LYS CE 30.00 -30.00 171.72 171.69 171.44 . . 0 "[ . 1 . 2]"
51 CHI3 1 17 LYS CB 1 17 LYS CG 1 17 LYS CD 1 17 LYS CE 150.00 90.00 171.72 171.69 171.44 . . 0 "[ . 1 . 2]"
52 CHI4 1 17 LYS CG 1 17 LYS CD 1 17 LYS CE 1 17 LYS NZ -90.00 -150.00 163.27 90.79 -149.97 0.03 3 0 "[ . 1 . 2]"
53 CHI4 1 17 LYS CG 1 17 LYS CD 1 17 LYS CE 1 17 LYS NZ 30.00 -30.00 163.27 90.79 -149.97 . . 0 "[ . 1 . 2]"
54 CHI4 1 17 LYS CG 1 17 LYS CD 1 17 LYS CE 1 17 LYS NZ 150.00 90.00 163.27 90.79 -149.97 1.28 12 0 "[ . 1 . 2]"
55 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG -90.00 -150.00 179.93 178.30 177.70 . . 0 "[ . 1 . 2]"
56 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 30.00 -30.00 179.93 178.30 177.70 . . 0 "[ . 1 . 2]"
57 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 150.00 90.00 179.93 178.30 177.70 . . 0 "[ . 1 . 2]"
58 CHI1 1 20 THR N 1 20 THR CA 1 20 THR CB 1 20 THR OG1 -90.00 -150.00 -57.32 -63.72 -40.92 . . 0 "[ . 1 . 2]"
59 CHI1 1 20 THR N 1 20 THR CA 1 20 THR CB 1 20 THR OG1 30.00 -30.00 -57.32 -63.72 -40.92 . . 0 "[ . 1 . 2]"
60 CHI1 1 20 THR N 1 20 THR CA 1 20 THR CB 1 20 THR OG1 150.00 90.00 -57.32 -63.72 -40.92 . . 0 "[ . 1 . 2]"
61 CHI1 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG -90.00 -150.00 58.33 57.24 56.83 . . 0 "[ . 1 . 2]"
62 CHI1 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG 30.00 -30.00 58.33 57.24 56.83 . . 0 "[ . 1 . 2]"
63 CHI1 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG 150.00 90.00 58.33 57.24 56.83 . . 0 "[ . 1 . 2]"
64 CHI1 1 22 SER N 1 22 SER CA 1 22 SER CB 1 22 SER OG -90.00 -150.00 -77.30 -150.12 -48.54 0.99 4 0 "[ . 1 . 2]"
65 CHI1 1 22 SER N 1 22 SER CA 1 22 SER CB 1 22 SER OG 30.00 -30.00 -77.30 -150.12 -48.54 . . 0 "[ . 1 . 2]"
66 CHI1 1 22 SER N 1 22 SER CA 1 22 SER CB 1 22 SER OG 150.00 90.00 -77.30 -150.12 -48.54 . . 0 "[ . 1 . 2]"
67 CHI1 1 23 GLN N 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG -90.00 -150.00 -76.59 -77.56 -74.80 . . 0 "[ . 1 . 2]"
68 CHI1 1 23 GLN N 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG 30.00 -30.00 -76.59 -77.56 -74.80 . . 0 "[ . 1 . 2]"
69 CHI1 1 23 GLN N 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG 150.00 90.00 -76.59 -77.56 -74.80 . . 0 "[ . 1 . 2]"
70 CHI2 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG 1 23 GLN CD -90.00 -150.00 -134.66 -173.28 -174.48 . . 0 "[ . 1 . 2]"
71 CHI2 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG 1 23 GLN CD 30.00 -30.00 -134.66 -173.28 -174.48 . . 0 "[ . 1 . 2]"
72 CHI2 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG 1 23 GLN CD 150.00 90.00 -134.66 -173.28 -174.48 . . 0 "[ . 1 . 2]"
73 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 -90.00 -150.00 -47.92 -46.84 -47.67 . . 0 "[ . 1 . 2]"
74 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 30.00 -30.00 -47.92 -46.84 -47.67 . . 0 "[ . 1 . 2]"
75 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 150.00 90.00 -47.92 -46.84 -47.67 . . 0 "[ . 1 . 2]"
76 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 -90.00 -150.00 157.31 151.89 160.70 . . 0 "[ . 1 . 2]"
77 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 30.00 -30.00 157.31 151.89 160.70 . . 0 "[ . 1 . 2]"
78 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 150.00 90.00 157.31 151.89 160.70 . . 0 "[ . 1 . 2]"
79 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG -90.00 -150.00 -48.62 -50.53 -46.63 . . 0 "[ . 1 . 2]"
80 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 30.00 -30.00 -48.62 -50.53 -46.63 . . 0 "[ . 1 . 2]"
81 CHI1 1 26 LEU N 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 150.00 90.00 -48.62 -50.53 -46.63 . . 0 "[ . 1 . 2]"
82 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 -90.00 -150.00 166.23 166.65 166.41 . . 0 "[ . 1 . 2]"
83 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 30.00 -30.00 166.23 166.65 166.41 . . 0 "[ . 1 . 2]"
84 CHI2 1 26 LEU CA 1 26 LEU CB 1 26 LEU CG 1 26 LEU CD1 150.00 90.00 166.23 166.65 166.41 . . 0 "[ . 1 . 2]"
85 CHI1 1 27 ASP N 1 27 ASP CA 1 27 ASP CB 1 27 ASP CG -90.00 -150.00 -87.49 -147.78 -60.67 2.33 14 0 "[ . 1 . 2]"
86 CHI1 1 27 ASP N 1 27 ASP CA 1 27 ASP CB 1 27 ASP CG 30.00 -30.00 -87.49 -147.78 -60.67 . . 0 "[ . 1 . 2]"
87 CHI1 1 27 ASP N 1 27 ASP CA 1 27 ASP CB 1 27 ASP CG 150.00 90.00 -87.49 -147.78 -60.67 . . 0 "[ . 1 . 2]"
88 CHI1 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG -90.00 -150.00 164.64 164.10 163.44 . . 0 "[ . 1 . 2]"
89 CHI1 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 30.00 -30.00 164.64 164.10 163.44 . . 0 "[ . 1 . 2]"
90 CHI1 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 150.00 90.00 164.64 164.10 163.44 . . 0 "[ . 1 . 2]"
91 CHI2 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD -90.00 -150.00 150.61 148.27 155.57 . . 0 "[ . 1 . 2]"
92 CHI2 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 30.00 -30.00 150.61 148.27 155.57 . . 0 "[ . 1 . 2]"
93 CHI2 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 150.00 90.00 150.61 148.27 155.57 1.73 12 0 "[ . 1 . 2]"
94 CHI3 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 1 28 ARG NE -90.00 -150.00 -170.25 154.17 90.68 . . 0 "[ . 1 . 2]"
95 CHI3 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 1 28 ARG NE 30.00 -30.00 -170.25 154.17 90.68 . . 0 "[ . 1 . 2]"
96 CHI3 1 28 ARG CB 1 28 ARG CG 1 28 ARG CD 1 28 ARG NE 150.00 90.00 -170.25 154.17 90.68 0.68 1 0 "[ . 1 . 2]"
97 CHI1 1 29 ILE N 1 29 ILE CA 1 29 ILE CB 1 29 ILE CG1 -90.00 -150.00 -71.23 -62.97 -67.30 . . 0 "[ . 1 . 2]"
98 CHI1 1 29 ILE N 1 29 ILE CA 1 29 ILE CB 1 29 ILE CG1 30.00 -30.00 -71.23 -62.97 -67.30 . . 0 "[ . 1 . 2]"
99 CHI1 1 29 ILE N 1 29 ILE CA 1 29 ILE CB 1 29 ILE CG1 150.00 90.00 -71.23 -62.97 -67.30 . . 0 "[ . 1 . 2]"
100 CHI21 1 29 ILE CA 1 29 ILE CB 1 29 ILE CG1 1 29 ILE CD1 -90.00 -150.00 174.42 173.98 173.28 . . 0 "[ . 1 . 2]"
101 CHI21 1 29 ILE CA 1 29 ILE CB 1 29 ILE CG1 1 29 ILE CD1 30.00 -30.00 174.42 173.98 173.28 . . 0 "[ . 1 . 2]"
102 CHI21 1 29 ILE CA 1 29 ILE CB 1 29 ILE CG1 1 29 ILE CD1 150.00 90.00 174.42 173.98 173.28 . . 0 "[ . 1 . 2]"
103 CHI1 1 30 LEU N 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG -90.00 -150.00 170.41 169.52 168.99 . . 0 "[ . 1 . 2]"
104 CHI1 1 30 LEU N 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 30.00 -30.00 170.41 169.52 168.99 . . 0 "[ . 1 . 2]"
105 CHI1 1 30 LEU N 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 150.00 90.00 170.41 169.52 168.99 . . 0 "[ . 1 . 2]"
106 CHI2 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 1 30 LEU CD1 -90.00 -150.00 147.98 149.18 149.18 . . 0 "[ . 1 . 2]"
107 CHI2 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 1 30 LEU CD1 30.00 -30.00 147.98 149.18 149.18 . . 0 "[ . 1 . 2]"
108 CHI2 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 1 30 LEU CD1 150.00 90.00 147.98 149.18 149.18 7.76 19 1 "[ . 1 . +2]"
109 CHI1 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG -90.00 -150.00 -61.70 -74.99 -50.03 . . 0 "[ . 1 . 2]"
110 CHI1 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 30.00 -30.00 -61.70 -74.99 -50.03 . . 0 "[ . 1 . 2]"
111 CHI1 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 150.00 90.00 -61.70 -74.99 -50.03 . . 0 "[ . 1 . 2]"
112 CHI2 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD -90.00 -150.00 -171.49 -158.51 -159.10 0.65 12 0 "[ . 1 . 2]"
113 CHI2 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 30.00 -30.00 -171.49 -158.51 -159.10 . . 0 "[ . 1 . 2]"
114 CHI2 1 31 ARG CA 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 150.00 90.00 -171.49 -158.51 -159.10 6.41 3 1 "[ + . 1 . 2]"
115 CHI3 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 1 31 ARG NE -90.00 -150.00 -27.38 -58.90 -67.58 0.17 18 0 "[ . 1 . 2]"
116 CHI3 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 1 31 ARG NE 30.00 -30.00 -27.38 -58.90 -67.58 . . 0 "[ . 1 . 2]"
117 CHI3 1 31 ARG CB 1 31 ARG CG 1 31 ARG CD 1 31 ARG NE 150.00 90.00 -27.38 -58.90 -67.58 0.39 3 0 "[ . 1 . 2]"
118 CHI1 1 33 MET N 1 33 MET CA 1 33 MET CB 1 33 MET CG -90.00 -150.00 -66.09 -73.95 -57.63 . . 0 "[ . 1 . 2]"
119 CHI1 1 33 MET N 1 33 MET CA 1 33 MET CB 1 33 MET CG 30.00 -30.00 -66.09 -73.95 -57.63 . . 0 "[ . 1 . 2]"
120 CHI1 1 33 MET N 1 33 MET CA 1 33 MET CB 1 33 MET CG 150.00 90.00 -66.09 -73.95 -57.63 . . 0 "[ . 1 . 2]"
121 CHI2 1 33 MET CA 1 33 MET CB 1 33 MET CG 1 33 MET SD -90.00 -150.00 -78.92 -75.43 -78.21 . . 0 "[ . 1 . 2]"
122 CHI2 1 33 MET CA 1 33 MET CB 1 33 MET CG 1 33 MET SD 30.00 -30.00 -78.92 -75.43 -78.21 . . 0 "[ . 1 . 2]"
123 CHI2 1 33 MET CA 1 33 MET CB 1 33 MET CG 1 33 MET SD 150.00 90.00 -78.92 -75.43 -78.21 . . 0 "[ . 1 . 2]"
124 CHI1 1 35 LYS N 1 35 LYS CA 1 35 LYS CB 1 35 LYS CG -90.00 -150.00 -93.23 -95.88 -88.62 5.88 5 4 "[ + 1 * -* 2]"
125 CHI1 1 35 LYS N 1 35 LYS CA 1 35 LYS CB 1 35 LYS CG 30.00 -30.00 -93.23 -95.88 -88.62 . . 0 "[ . 1 . 2]"
126 CHI1 1 35 LYS N 1 35 LYS CA 1 35 LYS CB 1 35 LYS CG 150.00 90.00 -93.23 -95.88 -88.62 . . 0 "[ . 1 . 2]"
127 CHI2 1 35 LYS CA 1 35 LYS CB 1 35 LYS CG 1 35 LYS CD -90.00 -150.00 -171.04 161.23 -90.09 5.41 5 1 "[ + 1 . 2]"
128 CHI2 1 35 LYS CA 1 35 LYS CB 1 35 LYS CG 1 35 LYS CD 30.00 -30.00 -171.04 161.23 -90.09 . . 0 "[ . 1 . 2]"
129 CHI2 1 35 LYS CA 1 35 LYS CB 1 35 LYS CG 1 35 LYS CD 150.00 90.00 -171.04 161.23 -90.09 . . 0 "[ . 1 . 2]"
130 CHI3 1 35 LYS CB 1 35 LYS CG 1 35 LYS CD 1 35 LYS CE -90.00 -150.00 -175.60 81.46 -87.84 1.52 10 0 "[ . 1 . 2]"
131 CHI3 1 35 LYS CB 1 35 LYS CG 1 35 LYS CD 1 35 LYS CE 30.00 -30.00 -175.60 81.46 -87.84 . . 0 "[ . 1 . 2]"
132 CHI3 1 35 LYS CB 1 35 LYS CG 1 35 LYS CD 1 35 LYS CE 150.00 90.00 -175.60 81.46 -87.84 4.92 14 0 "[ . 1 . 2]"
133 CHI4 1 35 LYS CG 1 35 LYS CD 1 35 LYS CE 1 35 LYS NZ -90.00 -150.00 -145.69 80.75 -63.25 . . 0 "[ . 1 . 2]"
134 CHI4 1 35 LYS CG 1 35 LYS CD 1 35 LYS CE 1 35 LYS NZ 30.00 -30.00 -145.69 80.75 -63.25 . . 0 "[ . 1 . 2]"
135 CHI4 1 35 LYS CG 1 35 LYS CD 1 35 LYS CE 1 35 LYS NZ 150.00 90.00 -145.69 80.75 -63.25 . . 0 "[ . 1 . 2]"
136 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG -90.00 -150.00 -49.79 -57.73 -47.08 . . 0 "[ . 1 . 2]"
137 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 30.00 -30.00 -49.79 -57.73 -47.08 . . 0 "[ . 1 . 2]"
138 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 150.00 90.00 -49.79 -57.73 -47.08 . . 0 "[ . 1 . 2]"
139 CHI1 1 38 HIS N 1 38 HIS CA 1 38 HIS CB 1 38 HIS CG -90.00 -150.00 -76.94 -75.24 -75.73 . . 0 "[ . 1 . 2]"
140 CHI1 1 38 HIS N 1 38 HIS CA 1 38 HIS CB 1 38 HIS CG 30.00 -30.00 -76.94 -75.24 -75.73 . . 0 "[ . 1 . 2]"
141 CHI1 1 38 HIS N 1 38 HIS CA 1 38 HIS CB 1 38 HIS CG 150.00 90.00 -76.94 -75.24 -75.73 . . 0 "[ . 1 . 2]"
142 CHI1 1 41 CYS N 1 41 CYS CA 1 41 CYS CB 1 41 CYS SG -90.00 -150.00 -80.56 -83.95 -74.26 . . 0 "[ . 1 . 2]"
143 CHI1 1 41 CYS N 1 41 CYS CA 1 41 CYS CB 1 41 CYS SG 30.00 -30.00 -80.56 -83.95 -74.26 . . 0 "[ . 1 . 2]"
144 CHI1 1 41 CYS N 1 41 CYS CA 1 41 CYS CB 1 41 CYS SG 150.00 90.00 -80.56 -83.95 -74.26 . . 0 "[ . 1 . 2]"
145 CHI1 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG -90.00 -150.00 -152.76 -157.02 -149.84 0.16 5 0 "[ . 1 . 2]"
146 CHI1 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG 30.00 -30.00 -152.76 -157.02 -149.84 . . 0 "[ . 1 . 2]"
147 CHI1 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG 150.00 90.00 -152.76 -157.02 -149.84 . . 0 "[ . 1 . 2]"
148 CHI1 1 43 THR N 1 43 THR CA 1 43 THR CB 1 43 THR OG1 -90.00 -150.00 63.29 57.84 72.46 . . 0 "[ . 1 . 2]"
149 CHI1 1 43 THR N 1 43 THR CA 1 43 THR CB 1 43 THR OG1 30.00 -30.00 63.29 57.84 72.46 . . 0 "[ . 1 . 2]"
150 CHI1 1 43 THR N 1 43 THR CA 1 43 THR CB 1 43 THR OG1 150.00 90.00 63.29 57.84 72.46 . . 0 "[ . 1 . 2]"
151 CHI1 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG -90.00 -150.00 -169.10 -169.33 -169.47 . . 0 "[ . 1 . 2]"
152 CHI1 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG 30.00 -30.00 -169.10 -169.33 -169.47 . . 0 "[ . 1 . 2]"
153 CHI1 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG 150.00 90.00 -169.10 -169.33 -169.47 . . 0 "[ . 1 . 2]"
154 CHI1 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 -90.00 -150.00 -60.13 -62.05 -63.40 . . 0 "[ . 1 . 2]"
155 CHI1 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 30.00 -30.00 -60.13 -62.05 -63.40 . . 0 "[ . 1 . 2]"
156 CHI1 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 150.00 90.00 -60.13 -62.05 -63.40 . . 0 "[ . 1 . 2]"
157 CHI1 1 46 VAL N 1 46 VAL CA 1 46 VAL CB 1 46 VAL CG1 -90.00 -150.00 166.86 166.70 165.35 . . 0 "[ . 1 . 2]"
158 CHI1 1 46 VAL N 1 46 VAL CA 1 46 VAL CB 1 46 VAL CG1 30.00 -30.00 166.86 166.70 165.35 . . 0 "[ . 1 . 2]"
159 CHI1 1 46 VAL N 1 46 VAL CA 1 46 VAL CB 1 46 VAL CG1 150.00 90.00 166.86 166.70 165.35 . . 0 "[ . 1 . 2]"
160 CHI1 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG -90.00 -150.00 62.99 57.72 66.71 . . 0 "[ . 1 . 2]"
161 CHI1 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG 30.00 -30.00 62.99 57.72 66.71 . . 0 "[ . 1 . 2]"
162 CHI1 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG 150.00 90.00 62.99 57.72 66.71 . . 0 "[ . 1 . 2]"
163 CHI1 1 48 HIS N 1 48 HIS CA 1 48 HIS CB 1 48 HIS CG -90.00 -150.00 -51.24 -59.35 -42.59 . . 0 "[ . 1 . 2]"
164 CHI1 1 48 HIS N 1 48 HIS CA 1 48 HIS CB 1 48 HIS CG 30.00 -30.00 -51.24 -59.35 -42.59 . . 0 "[ . 1 . 2]"
165 CHI1 1 48 HIS N 1 48 HIS CA 1 48 HIS CB 1 48 HIS CG 150.00 90.00 -51.24 -59.35 -42.59 . . 0 "[ . 1 . 2]"
166 CHI1 1 49 ARG N 1 49 ARG CA 1 49 ARG CB 1 49 ARG CG -90.00 -150.00 79.70 69.82 89.86 . . 0 "[ . 1 . 2]"
167 CHI1 1 49 ARG N 1 49 ARG CA 1 49 ARG CB 1 49 ARG CG 30.00 -30.00 79.70 69.82 89.86 . . 0 "[ . 1 . 2]"
168 CHI1 1 49 ARG N 1 49 ARG CA 1 49 ARG CB 1 49 ARG CG 150.00 90.00 79.70 69.82 89.86 . . 0 "[ . 1 . 2]"
169 CHI2 1 49 ARG CA 1 49 ARG CB 1 49 ARG CG 1 49 ARG CD -90.00 -150.00 157.29 168.86 168.86 . . 0 "[ . 1 . 2]"
170 CHI2 1 49 ARG CA 1 49 ARG CB 1 49 ARG CG 1 49 ARG CD 30.00 -30.00 157.29 168.86 168.86 . . 0 "[ . 1 . 2]"
171 CHI2 1 49 ARG CA 1 49 ARG CB 1 49 ARG CG 1 49 ARG CD 150.00 90.00 157.29 168.86 168.86 0.48 18 0 "[ . 1 . 2]"
172 CHI3 1 49 ARG CB 1 49 ARG CG 1 49 ARG CD 1 49 ARG NE -90.00 -150.00 79.02 49.81 -59.79 . . 0 "[ . 1 . 2]"
173 CHI3 1 49 ARG CB 1 49 ARG CG 1 49 ARG CD 1 49 ARG NE 30.00 -30.00 79.02 49.81 -59.79 . . 0 "[ . 1 . 2]"
174 CHI3 1 49 ARG CB 1 49 ARG CG 1 49 ARG CD 1 49 ARG NE 150.00 90.00 79.02 49.81 -59.79 . . 0 "[ . 1 . 2]"
175 CHI1 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG -90.00 -150.00 -57.60 -67.34 -48.21 . . 0 "[ . 1 . 2]"
176 CHI1 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 30.00 -30.00 -57.60 -67.34 -48.21 . . 0 "[ . 1 . 2]"
177 CHI1 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 150.00 90.00 -57.60 -67.34 -48.21 . . 0 "[ . 1 . 2]"
178 CHI2 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 1 51 LEU CD1 -90.00 -150.00 164.41 160.12 158.16 . . 0 "[ . 1 . 2]"
179 CHI2 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 1 51 LEU CD1 30.00 -30.00 164.41 160.12 158.16 . . 0 "[ . 1 . 2]"
180 CHI2 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 1 51 LEU CD1 150.00 90.00 164.41 160.12 158.16 . . 0 "[ . 1 . 2]"
181 CHI1 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG -90.00 -150.00 67.50 149.07 76.11 . . 0 "[ . 1 . 2]"
182 CHI1 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG 30.00 -30.00 67.50 149.07 76.11 . . 0 "[ . 1 . 2]"
183 CHI1 1 52 ASP N 1 52 ASP CA 1 52 ASP CB 1 52 ASP CG 150.00 90.00 67.50 149.07 76.11 0.93 11 0 "[ . 1 . 2]"
184 CHI1 1 54 ILE N 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 -90.00 -150.00 30.78 26.94 50.91 . . 0 "[ . 1 . 2]"
185 CHI1 1 54 ILE N 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 30.00 -30.00 30.78 26.94 50.91 3.06 19 0 "[ . 1 . 2]"
186 CHI1 1 54 ILE N 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 150.00 90.00 30.78 26.94 50.91 . . 0 "[ . 1 . 2]"
187 CHI21 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 1 54 ILE CD1 -90.00 -150.00 -166.77 85.36 -69.87 2.57 6 0 "[ . 1 . 2]"
188 CHI21 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 1 54 ILE CD1 30.00 -30.00 -166.77 85.36 -69.87 . . 0 "[ . 1 . 2]"
189 CHI21 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 1 54 ILE CD1 150.00 90.00 -166.77 85.36 -69.87 . . 0 "[ . 1 . 2]"
190 CHI1 1 56 PHE N 1 56 PHE CA 1 56 PHE CB 1 56 PHE CG -90.00 -150.00 71.73 67.22 64.68 . . 0 "[ . 1 . 2]"
191 CHI1 1 56 PHE N 1 56 PHE CA 1 56 PHE CB 1 56 PHE CG 30.00 -30.00 71.73 67.22 64.68 . . 0 "[ . 1 . 2]"
192 CHI1 1 56 PHE N 1 56 PHE CA 1 56 PHE CB 1 56 PHE CG 150.00 90.00 71.73 67.22 64.68 . . 0 "[ . 1 . 2]"
193 CHI1 1 57 THR N 1 57 THR CA 1 57 THR CB 1 57 THR OG1 -90.00 -150.00 178.01 169.16 -169.28 . . 0 "[ . 1 . 2]"
194 CHI1 1 57 THR N 1 57 THR CA 1 57 THR CB 1 57 THR OG1 30.00 -30.00 178.01 169.16 -169.28 . . 0 "[ . 1 . 2]"
195 CHI1 1 57 THR N 1 57 THR CA 1 57 THR CB 1 57 THR OG1 150.00 90.00 178.01 169.16 -169.28 . . 0 "[ . 1 . 2]"
196 CHI1 1 58 VAL N 1 58 VAL CA 1 58 VAL CB 1 58 VAL CG1 -90.00 -150.00 -72.12 -69.67 -70.52 . . 0 "[ . 1 . 2]"
197 CHI1 1 58 VAL N 1 58 VAL CA 1 58 VAL CB 1 58 VAL CG1 30.00 -30.00 -72.12 -69.67 -70.52 . . 0 "[ . 1 . 2]"
198 CHI1 1 58 VAL N 1 58 VAL CA 1 58 VAL CB 1 58 VAL CG1 150.00 90.00 -72.12 -69.67 -70.52 . . 0 "[ . 1 . 2]"
199 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG -90.00 -150.00 153.09 39.76 -155.89 . . 0 "[ . 1 . 2]"
200 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG 30.00 -30.00 153.09 39.76 -155.89 . . 0 "[ . 1 . 2]"
201 CHI1 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG 150.00 90.00 153.09 39.76 -155.89 0.27 6 0 "[ . 1 . 2]"
202 CHI1 1 61 THR N 1 61 THR CA 1 61 THR CB 1 61 THR OG1 -90.00 -150.00 48.67 29.78 167.85 . . 0 "[ . 1 . 2]"
203 CHI1 1 61 THR N 1 61 THR CA 1 61 THR CB 1 61 THR OG1 30.00 -30.00 48.67 29.78 167.85 0.22 10 0 "[ . 1 . 2]"
204 CHI1 1 61 THR N 1 61 THR CA 1 61 THR CB 1 61 THR OG1 150.00 90.00 48.67 29.78 167.85 . . 0 "[ . 1 . 2]"
205 CHI1 1 62 SER N 1 62 SER CA 1 62 SER CB 1 62 SER OG -90.00 -150.00 -110.80 -85.68 -150.00 . . 0 "[ . 1 . 2]"
206 CHI1 1 62 SER N 1 62 SER CA 1 62 SER CB 1 62 SER OG 30.00 -30.00 -110.80 -85.68 -150.00 . . 0 "[ . 1 . 2]"
207 CHI1 1 62 SER N 1 62 SER CA 1 62 SER CB 1 62 SER OG 150.00 90.00 -110.80 -85.68 -150.00 . . 0 "[ . 1 . 2]"
208 CHI1 1 63 GLN N 1 63 GLN CA 1 63 GLN CB 1 63 GLN CG -90.00 -150.00 -76.61 -89.34 -59.39 . . 0 "[ . 1 . 2]"
209 CHI1 1 63 GLN N 1 63 GLN CA 1 63 GLN CB 1 63 GLN CG 30.00 -30.00 -76.61 -89.34 -59.39 . . 0 "[ . 1 . 2]"
210 CHI1 1 63 GLN N 1 63 GLN CA 1 63 GLN CB 1 63 GLN CG 150.00 90.00 -76.61 -89.34 -59.39 . . 0 "[ . 1 . 2]"
211 CHI2 1 63 GLN CA 1 63 GLN CB 1 63 GLN CG 1 63 GLN CD -90.00 -150.00 -133.15 -173.98 173.45 . . 0 "[ . 1 . 2]"
212 CHI2 1 63 GLN CA 1 63 GLN CB 1 63 GLN CG 1 63 GLN CD 30.00 -30.00 -133.15 -173.98 173.45 . . 0 "[ . 1 . 2]"
213 CHI2 1 63 GLN CA 1 63 GLN CB 1 63 GLN CG 1 63 GLN CD 150.00 90.00 -133.15 -173.98 173.45 . . 0 "[ . 1 . 2]"
214 CHI1 1 64 ILE N 1 64 ILE CA 1 64 ILE CB 1 64 ILE CG1 -90.00 -150.00 -60.97 -66.56 -57.19 . . 0 "[ . 1 . 2]"
215 CHI1 1 64 ILE N 1 64 ILE CA 1 64 ILE CB 1 64 ILE CG1 30.00 -30.00 -60.97 -66.56 -57.19 . . 0 "[ . 1 . 2]"
216 CHI1 1 64 ILE N 1 64 ILE CA 1 64 ILE CB 1 64 ILE CG1 150.00 90.00 -60.97 -66.56 -57.19 . . 0 "[ . 1 . 2]"
217 CHI21 1 64 ILE CA 1 64 ILE CB 1 64 ILE CG1 1 64 ILE CD1 -90.00 -150.00 165.44 165.02 161.64 . . 0 "[ . 1 . 2]"
218 CHI21 1 64 ILE CA 1 64 ILE CB 1 64 ILE CG1 1 64 ILE CD1 30.00 -30.00 165.44 165.02 161.64 . . 0 "[ . 1 . 2]"
219 CHI21 1 64 ILE CA 1 64 ILE CB 1 64 ILE CG1 1 64 ILE CD1 150.00 90.00 165.44 165.02 161.64 . . 0 "[ . 1 . 2]"
220 CHI1 1 65 HIS N 1 65 HIS CA 1 65 HIS CB 1 65 HIS CG -90.00 -150.00 -71.36 -67.48 -69.81 . . 0 "[ . 1 . 2]"
221 CHI1 1 65 HIS N 1 65 HIS CA 1 65 HIS CB 1 65 HIS CG 30.00 -30.00 -71.36 -67.48 -69.81 . . 0 "[ . 1 . 2]"
222 CHI1 1 65 HIS N 1 65 HIS CA 1 65 HIS CB 1 65 HIS CG 150.00 90.00 -71.36 -67.48 -69.81 . . 0 "[ . 1 . 2]"
223 CHI1 1 66 CYS N 1 66 CYS CA 1 66 CYS CB 1 66 CYS SG -90.00 -150.00 67.00 59.51 71.91 . . 0 "[ . 1 . 2]"
224 CHI1 1 66 CYS N 1 66 CYS CA 1 66 CYS CB 1 66 CYS SG 30.00 -30.00 67.00 59.51 71.91 . . 0 "[ . 1 . 2]"
225 CHI1 1 66 CYS N 1 66 CYS CA 1 66 CYS CB 1 66 CYS SG 150.00 90.00 67.00 59.51 71.91 . . 0 "[ . 1 . 2]"
226 CHI1 1 67 ILE N 1 67 ILE CA 1 67 ILE CB 1 67 ILE CG1 -90.00 -150.00 -57.75 -59.90 -52.78 . . 0 "[ . 1 . 2]"
227 CHI1 1 67 ILE N 1 67 ILE CA 1 67 ILE CB 1 67 ILE CG1 30.00 -30.00 -57.75 -59.90 -52.78 . . 0 "[ . 1 . 2]"
228 CHI1 1 67 ILE N 1 67 ILE CA 1 67 ILE CB 1 67 ILE CG1 150.00 90.00 -57.75 -59.90 -52.78 . . 0 "[ . 1 . 2]"
229 CHI21 1 67 ILE CA 1 67 ILE CB 1 67 ILE CG1 1 67 ILE CD1 -90.00 -150.00 -61.66 -66.97 -50.60 . . 0 "[ . 1 . 2]"
230 CHI21 1 67 ILE CA 1 67 ILE CB 1 67 ILE CG1 1 67 ILE CD1 30.00 -30.00 -61.66 -66.97 -50.60 . . 0 "[ . 1 . 2]"
231 CHI21 1 67 ILE CA 1 67 ILE CB 1 67 ILE CG1 1 67 ILE CD1 150.00 90.00 -61.66 -66.97 -50.60 . . 0 "[ . 1 . 2]"
232 CHI1 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG -90.00 -150.00 -72.88 -75.74 -81.33 0.06 20 0 "[ . 1 . 2]"
233 CHI1 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 30.00 -30.00 -72.88 -75.74 -81.33 . . 0 "[ . 1 . 2]"
234 CHI1 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 150.00 90.00 -72.88 -75.74 -81.33 . . 0 "[ . 1 . 2]"
235 CHI2 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 1 68 GLU CD -90.00 -150.00 -135.35 67.74 -61.17 . . 0 "[ . 1 . 2]"
236 CHI2 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 1 68 GLU CD 30.00 -30.00 -135.35 67.74 -61.17 . . 0 "[ . 1 . 2]"
237 CHI2 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG 1 68 GLU CD 150.00 90.00 -135.35 67.74 -61.17 . . 0 "[ . 1 . 2]"
238 CHI1 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG -90.00 -150.00 -76.90 -68.39 -69.17 . . 0 "[ . 1 . 2]"
239 CHI1 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG 30.00 -30.00 -76.90 -68.39 -69.17 . . 0 "[ . 1 . 2]"
240 CHI1 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG 150.00 90.00 -76.90 -68.39 -69.17 . . 0 "[ . 1 . 2]"
241 CHI1 1 70 PHE N 1 70 PHE CA 1 70 PHE CB 1 70 PHE CG -90.00 -150.00 170.30 167.62 165.96 . . 0 "[ . 1 . 2]"
242 CHI1 1 70 PHE N 1 70 PHE CA 1 70 PHE CB 1 70 PHE CG 30.00 -30.00 170.30 167.62 165.96 . . 0 "[ . 1 . 2]"
243 CHI1 1 70 PHE N 1 70 PHE CA 1 70 PHE CB 1 70 PHE CG 150.00 90.00 170.30 167.62 165.96 . . 0 "[ . 1 . 2]"
244 CHI1 1 71 HIS N 1 71 HIS CA 1 71 HIS CB 1 71 HIS CG -90.00 -150.00 -79.21 -90.51 -65.08 0.51 12 0 "[ . 1 . 2]"
245 CHI1 1 71 HIS N 1 71 HIS CA 1 71 HIS CB 1 71 HIS CG 30.00 -30.00 -79.21 -90.51 -65.08 . . 0 "[ . 1 . 2]"
246 CHI1 1 71 HIS N 1 71 HIS CA 1 71 HIS CB 1 71 HIS CG 150.00 90.00 -79.21 -90.51 -65.08 . . 0 "[ . 1 . 2]"
247 CHI1 1 72 ARG N 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG -90.00 -150.00 -78.70 -78.22 -80.78 . . 0 "[ . 1 . 2]"
248 CHI1 1 72 ARG N 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG 30.00 -30.00 -78.70 -78.22 -80.78 . . 0 "[ . 1 . 2]"
249 CHI1 1 72 ARG N 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG 150.00 90.00 -78.70 -78.22 -80.78 5.76 7 1 "[ . + 1 . 2]"
250 CHI2 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG 1 72 ARG CD -90.00 -150.00 -144.24 -77.77 -79.76 0.38 14 0 "[ . 1 . 2]"
251 CHI2 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG 1 72 ARG CD 30.00 -30.00 -144.24 -77.77 -79.76 . . 0 "[ . 1 . 2]"
252 CHI2 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG 1 72 ARG CD 150.00 90.00 -144.24 -77.77 -79.76 . . 0 "[ . 1 . 2]"
253 CHI3 1 72 ARG CB 1 72 ARG CG 1 72 ARG CD 1 72 ARG NE -90.00 -150.00 150.24 87.29 81.27 . . 0 "[ . 1 . 2]"
254 CHI3 1 72 ARG CB 1 72 ARG CG 1 72 ARG CD 1 72 ARG NE 30.00 -30.00 150.24 87.29 81.27 . . 0 "[ . 1 . 2]"
255 CHI3 1 72 ARG CB 1 72 ARG CG 1 72 ARG CD 1 72 ARG NE 150.00 90.00 150.24 87.29 81.27 0.10 2 0 "[ . 1 . 2]"
256 CHI1 1 73 LYS N 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG -90.00 -150.00 -151.28 -90.07 -149.67 0.33 9 0 "[ . 1 . 2]"
257 CHI1 1 73 LYS N 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG 30.00 -30.00 -151.28 -90.07 -149.67 . . 0 "[ . 1 . 2]"
258 CHI1 1 73 LYS N 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG 150.00 90.00 -151.28 -90.07 -149.67 . . 0 "[ . 1 . 2]"
259 CHI2 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG 1 73 LYS CD -90.00 -150.00 175.93 158.94 -156.62 . . 0 "[ . 1 . 2]"
260 CHI2 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG 1 73 LYS CD 30.00 -30.00 175.93 158.94 -156.62 . . 0 "[ . 1 . 2]"
261 CHI2 1 73 LYS CA 1 73 LYS CB 1 73 LYS CG 1 73 LYS CD 150.00 90.00 175.93 158.94 -156.62 . . 0 "[ . 1 . 2]"
262 CHI3 1 73 LYS CB 1 73 LYS CG 1 73 LYS CD 1 73 LYS CE -90.00 -150.00 96.74 60.98 -43.98 . . 0 "[ . 1 . 2]"
263 CHI3 1 73 LYS CB 1 73 LYS CG 1 73 LYS CD 1 73 LYS CE 30.00 -30.00 96.74 60.98 -43.98 . . 0 "[ . 1 . 2]"
264 CHI3 1 73 LYS CB 1 73 LYS CG 1 73 LYS CD 1 73 LYS CE 150.00 90.00 96.74 60.98 -43.98 0.68 8 0 "[ . 1 . 2]"
265 CHI4 1 73 LYS CG 1 73 LYS CD 1 73 LYS CE 1 73 LYS NZ -90.00 -150.00 127.27 66.15 -84.08 0.38 8 0 "[ . 1 . 2]"
266 CHI4 1 73 LYS CG 1 73 LYS CD 1 73 LYS CE 1 73 LYS NZ 30.00 -30.00 127.27 66.15 -84.08 . . 0 "[ . 1 . 2]"
267 CHI4 1 73 LYS CG 1 73 LYS CD 1 73 LYS CE 1 73 LYS NZ 150.00 90.00 127.27 66.15 -84.08 0.83 15 0 "[ . 1 . 2]"
268 CHI1 1 74 PHE N 1 74 PHE CA 1 74 PHE CB 1 74 PHE CG -90.00 -150.00 -73.57 -62.06 -71.52 . . 0 "[ . 1 . 2]"
269 CHI1 1 74 PHE N 1 74 PHE CA 1 74 PHE CB 1 74 PHE CG 30.00 -30.00 -73.57 -62.06 -71.52 . . 0 "[ . 1 . 2]"
270 CHI1 1 74 PHE N 1 74 PHE CA 1 74 PHE CB 1 74 PHE CG 150.00 90.00 -73.57 -62.06 -71.52 . . 0 "[ . 1 . 2]"
271 CHI1 1 76 SER N 1 76 SER CA 1 76 SER CB 1 76 SER OG -90.00 -150.00 137.09 51.80 -54.54 . . 0 "[ . 1 . 2]"
272 CHI1 1 76 SER N 1 76 SER CA 1 76 SER CB 1 76 SER OG 30.00 -30.00 137.09 51.80 -54.54 . . 0 "[ . 1 . 2]"
273 CHI1 1 76 SER N 1 76 SER CA 1 76 SER CB 1 76 SER OG 150.00 90.00 137.09 51.80 -54.54 . . 0 "[ . 1 . 2]"
274 CHI1 1 79 SER N 1 79 SER CA 1 79 SER CB 1 79 SER OG -90.00 -150.00 169.81 170.40 75.61 . . 0 "[ . 1 . 2]"
275 CHI1 1 79 SER N 1 79 SER CA 1 79 SER CB 1 79 SER OG 30.00 -30.00 169.81 170.40 75.61 . . 0 "[ . 1 . 2]"
276 CHI1 1 79 SER N 1 79 SER CA 1 79 SER CB 1 79 SER OG 150.00 90.00 169.81 170.40 75.61 . . 0 "[ . 1 . 2]"
277 CHI1 1 80 SER N 1 80 SER CA 1 80 SER CB 1 80 SER OG -90.00 -150.00 -140.39 166.51 79.44 . . 0 "[ . 1 . 2]"
278 CHI1 1 80 SER N 1 80 SER CA 1 80 SER CB 1 80 SER OG 30.00 -30.00 -140.39 166.51 79.44 . . 0 "[ . 1 . 2]"
279 CHI1 1 80 SER N 1 80 SER CA 1 80 SER CB 1 80 SER OG 150.00 90.00 -140.39 166.51 79.44 . . 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 40
_TA_constraint_stats_list.Viol_count 87
_TA_constraint_stats_list.Viol_total 597.59
_TA_constraint_stats_list.Viol_max 1.52
_TA_constraint_stats_list.Viol_rms 0.13
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 0.34
_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 28 ARG C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -142.00 -82.00 -108.40 -108.86 -109.84 . . 0 "[ . 1 . 2]"
2 PSI 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 LEU N 101.30 161.30 116.79 123.77 119.92 . . 0 "[ . 1 . 2]"
3 PHI 1 29 ILE C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -133.10 -73.10 -102.15 -107.88 -98.39 . . 0 "[ . 1 . 2]"
4 PSI 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ARG N 93.20 153.20 112.49 114.25 113.53 . . 0 "[ . 1 . 2]"
5 PHI 1 30 LEU C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -139.50 -79.50 -80.21 -85.09 -78.83 0.67 12 0 "[ . 1 . 2]"
6 PSI 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 ALA N 108.70 168.70 124.19 122.36 127.59 . . 0 "[ . 1 . 2]"
7 PHI 1 31 ARG C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -152.70 -92.70 -152.94 -153.01 -153.03 0.57 9 0 "[ . 1 . 2]"
8 PSI 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 MET N 103.30 163.30 134.24 137.76 134.22 . . 0 "[ . 1 . 2]"
9 PHI 1 34 GLY C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -146.80 -86.80 -86.59 -86.55 -86.56 0.62 15 0 "[ . 1 . 2]"
10 PSI 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 ALA N 118.70 178.70 177.40 178.45 177.92 0.79 15 0 "[ . 1 . 2]"
11 PHI 1 35 LYS C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -157.20 -97.20 -110.96 -111.45 -111.90 . . 0 "[ . 1 . 2]"
12 PSI 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 TYR N 122.90 -177.10 131.12 126.40 135.51 . . 0 "[ . 1 . 2]"
13 PHI 1 36 ALA C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -136.60 -76.50 -136.62 -137.68 -130.31 1.08 14 0 "[ . 1 . 2]"
14 PSI 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 HIS N 113.90 173.90 162.21 163.64 163.17 . . 0 "[ . 1 . 2]"
15 PHI 1 64 ILE C 1 65 HIS N 1 65 HIS CA 1 65 HIS C -137.60 -77.50 -109.15 -111.28 -112.46 . . 0 "[ . 1 . 2]"
16 PSI 1 65 HIS N 1 65 HIS CA 1 65 HIS C 1 66 CYS N 108.30 168.30 114.87 118.06 117.57 . . 0 "[ . 1 . 2]"
17 PHI 1 66 CYS C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -92.50 -32.50 -33.65 -37.17 -32.41 0.09 15 0 "[ . 1 . 2]"
18 PSI 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 GLU N -67.80 -7.90 -57.30 -52.80 -54.48 . . 0 "[ . 1 . 2]"
19 PHI 1 67 ILE C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -92.00 -32.00 -43.15 -50.59 -38.47 . . 0 "[ . 1 . 2]"
20 PSI 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 ASP N -67.70 -7.70 -57.56 -67.87 -44.21 0.17 20 0 "[ . 1 . 2]"
21 PHI 1 68 GLU C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -98.30 -38.30 -65.96 -79.19 -51.27 . . 0 "[ . 1 . 2]"
22 PSI 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 PHE N -66.20 -6.20 -60.94 -66.83 -48.31 0.63 17 0 "[ . 1 . 2]"
23 PHI 1 69 ASP C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -96.20 -36.20 -39.16 -46.95 -50.94 1.52 20 0 "[ . 1 . 2]"
24 PSI 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 HIS N -73.00 -13.00 -48.10 -69.44 -24.41 . . 0 "[ . 1 . 2]"
25 PHI 1 70 PHE C 1 71 HIS N 1 71 HIS CA 1 71 HIS C -92.50 -32.50 -62.03 -62.59 -67.91 . . 0 "[ . 1 . 2]"
26 PSI 1 71 HIS N 1 71 HIS CA 1 71 HIS C 1 72 ARG N -70.10 -10.10 -54.28 -70.27 -20.16 0.17 5 0 "[ . 1 . 2]"
27 PHI 1 71 HIS C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -96.80 -36.80 -59.23 -54.16 -56.67 . . 0 "[ . 1 . 2]"
28 PSI 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 LYS N -66.50 -6.50 -52.27 -66.94 -19.68 0.44 17 0 "[ . 1 . 2]"
29 PHI 1 72 ARG C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -98.20 -38.20 -52.19 -73.07 -97.79 . . 0 "[ . 1 . 2]"
30 PSI 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 PHE N -60.80 -0.80 -51.45 -60.41 -30.32 . . 0 "[ . 1 . 2]"
31 PHI 1 73 LYS C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -122.80 -62.80 -80.86 -93.32 -63.76 . . 0 "[ . 1 . 2]"
32 PSI 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 ALA N -41.30 18.70 -10.55 15.68 -36.76 0.42 8 0 "[ . 1 . 2]"
33 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 150.00 -150.00 179.93 178.30 177.70 . . 0 "[ . 1 . 2]"
34 CHI1 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG 30.00 90.00 58.33 57.24 56.83 . . 0 "[ . 1 . 2]"
35 CHI1 1 38 HIS N 1 38 HIS CA 1 38 HIS CB 1 38 HIS CG -90.00 -30.00 -76.94 -75.24 -75.73 . . 0 "[ . 1 . 2]"
36 CHI1 1 41 CYS N 1 41 CYS CA 1 41 CYS CB 1 41 CYS SG -90.00 -30.00 -80.56 -83.95 -74.26 . . 0 "[ . 1 . 2]"
37 CHI1 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG 150.00 -150.00 -169.10 -169.33 -169.47 . . 0 "[ . 1 . 2]"
38 CHI1 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG 30.00 90.00 62.99 57.72 66.71 . . 0 "[ . 1 . 2]"
39 CHI1 1 66 CYS N 1 66 CYS CA 1 66 CYS CB 1 66 CYS SG 30.00 90.00 67.00 59.51 71.91 . . 0 "[ . 1 . 2]"
40 CHI1 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG -90.00 -30.00 -76.90 -68.39 -69.17 . . 0 "[ . 1 . 2]"
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