NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506585 |
2cor   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2cor
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 306
_TA_constraint_stats_list.Viol_count 115
_TA_constraint_stats_list.Viol_total 2545.40
_TA_constraint_stats_list.Viol_max 5.39
_TA_constraint_stats_list.Viol_rms 0.21
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 1.11
_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 -129.38 59.41 -70.84 . . 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 -129.38 59.41 -70.84 . . 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 -129.38 59.41 -70.84 . . 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 -92.35 55.57 -69.85 . . 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 -92.35 55.57 -69.85 . . 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 -92.35 55.57 -69.85 . . 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 -109.15 51.99 -52.29 0.09 15 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 -109.15 51.99 -52.29 . . 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 -109.15 51.99 -52.29 . . 0 "[ . 1 . 2]"
10 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG -90.00 -150.00 153.17 34.44 -68.98 . . 0 "[ . 1 . 2]"
11 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 30.00 -30.00 153.17 34.44 -68.98 . . 0 "[ . 1 . 2]"
12 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 150.00 90.00 153.17 34.44 -68.98 . . 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 -106.73 179.72 69.05 0.19 8 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 -106.73 179.72 69.05 . . 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 -106.73 179.72 69.05 . . 0 "[ . 1 . 2]"
16 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD -90.00 -150.00 177.06 62.36 -61.06 . . 0 "[ . 1 . 2]"
17 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD 30.00 -30.00 177.06 62.36 -61.06 . . 0 "[ . 1 . 2]"
18 CHI2 1 8 GLU CA 1 8 GLU CB 1 8 GLU CG 1 8 GLU CD 150.00 90.00 177.06 62.36 -61.06 . . 0 "[ . 1 . 2]"
19 CHI1 1 9 LYS N 1 9 LYS CA 1 9 LYS CB 1 9 LYS CG -90.00 -150.00 -56.64 42.85 -57.60 0.42 12 0 "[ . 1 . 2]"
20 CHI1 1 9 LYS N 1 9 LYS CA 1 9 LYS CB 1 9 LYS CG 30.00 -30.00 -56.64 42.85 -57.60 . . 0 "[ . 1 . 2]"
21 CHI1 1 9 LYS N 1 9 LYS CA 1 9 LYS CB 1 9 LYS CG 150.00 90.00 -56.64 42.85 -57.60 . . 0 "[ . 1 . 2]"
22 CHI2 1 9 LYS CA 1 9 LYS CB 1 9 LYS CG 1 9 LYS CD -90.00 -150.00 178.03 80.02 -73.80 1.18 4 0 "[ . 1 . 2]"
23 CHI2 1 9 LYS CA 1 9 LYS CB 1 9 LYS CG 1 9 LYS CD 30.00 -30.00 178.03 80.02 -73.80 . . 0 "[ . 1 . 2]"
24 CHI2 1 9 LYS CA 1 9 LYS CB 1 9 LYS CG 1 9 LYS CD 150.00 90.00 178.03 80.02 -73.80 . . 0 "[ . 1 . 2]"
25 CHI3 1 9 LYS CB 1 9 LYS CG 1 9 LYS CD 1 9 LYS CE -90.00 -150.00 -173.07 152.59 86.01 . . 0 "[ . 1 . 2]"
26 CHI3 1 9 LYS CB 1 9 LYS CG 1 9 LYS CD 1 9 LYS CE 30.00 -30.00 -173.07 152.59 86.01 . . 0 "[ . 1 . 2]"
27 CHI3 1 9 LYS CB 1 9 LYS CG 1 9 LYS CD 1 9 LYS CE 150.00 90.00 -173.07 152.59 86.01 . . 0 "[ . 1 . 2]"
28 CHI4 1 9 LYS CG 1 9 LYS CD 1 9 LYS CE 1 9 LYS NZ -90.00 -150.00 -159.96 -87.35 -158.02 . . 0 "[ . 1 . 2]"
29 CHI4 1 9 LYS CG 1 9 LYS CD 1 9 LYS CE 1 9 LYS NZ 30.00 -30.00 -159.96 -87.35 -158.02 . . 0 "[ . 1 . 2]"
30 CHI4 1 9 LYS CG 1 9 LYS CD 1 9 LYS CE 1 9 LYS NZ 150.00 90.00 -159.96 -87.35 -158.02 . . 0 "[ . 1 . 2]"
31 CHI1 1 11 ARG N 1 11 ARG CA 1 11 ARG CB 1 11 ARG CG -90.00 -150.00 -52.68 -86.14 65.94 . . 0 "[ . 1 . 2]"
32 CHI1 1 11 ARG N 1 11 ARG CA 1 11 ARG CB 1 11 ARG CG 30.00 -30.00 -52.68 -86.14 65.94 . . 0 "[ . 1 . 2]"
33 CHI1 1 11 ARG N 1 11 ARG CA 1 11 ARG CB 1 11 ARG CG 150.00 90.00 -52.68 -86.14 65.94 . . 0 "[ . 1 . 2]"
34 CHI2 1 11 ARG CA 1 11 ARG CB 1 11 ARG CG 1 11 ARG CD -90.00 -150.00 -164.08 -87.57 -89.18 . . 0 "[ . 1 . 2]"
35 CHI2 1 11 ARG CA 1 11 ARG CB 1 11 ARG CG 1 11 ARG CD 30.00 -30.00 -164.08 -87.57 -89.18 . . 0 "[ . 1 . 2]"
36 CHI2 1 11 ARG CA 1 11 ARG CB 1 11 ARG CG 1 11 ARG CD 150.00 90.00 -164.08 -87.57 -89.18 . . 0 "[ . 1 . 2]"
37 CHI3 1 11 ARG CB 1 11 ARG CG 1 11 ARG CD 1 11 ARG NE -90.00 -150.00 -178.59 -77.74 -152.16 . . 0 "[ . 1 . 2]"
38 CHI3 1 11 ARG CB 1 11 ARG CG 1 11 ARG CD 1 11 ARG NE 30.00 -30.00 -178.59 -77.74 -152.16 . . 0 "[ . 1 . 2]"
39 CHI3 1 11 ARG CB 1 11 ARG CG 1 11 ARG CD 1 11 ARG NE 150.00 90.00 -178.59 -77.74 -152.16 . . 0 "[ . 1 . 2]"
40 CHI1 1 13 LEU N 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG -90.00 -150.00 -61.35 147.89 81.76 0.67 7 0 "[ . 1 . 2]"
41 CHI1 1 13 LEU N 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 30.00 -30.00 -61.35 147.89 81.76 . . 0 "[ . 1 . 2]"
42 CHI1 1 13 LEU N 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 150.00 90.00 -61.35 147.89 81.76 2.11 12 0 "[ . 1 . 2]"
43 CHI2 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 1 13 LEU CD1 -90.00 -150.00 129.25 -62.33 175.42 . . 0 "[ . 1 . 2]"
44 CHI2 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 1 13 LEU CD1 30.00 -30.00 129.25 -62.33 175.42 . . 0 "[ . 1 . 2]"
45 CHI2 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 1 13 LEU CD1 150.00 90.00 129.25 -62.33 175.42 . . 0 "[ . 1 . 2]"
46 CHI1 1 15 LYS N 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG -90.00 -150.00 -69.18 -91.97 -54.33 1.97 12 0 "[ . 1 . 2]"
47 CHI1 1 15 LYS N 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 30.00 -30.00 -69.18 -91.97 -54.33 . . 0 "[ . 1 . 2]"
48 CHI1 1 15 LYS N 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 150.00 90.00 -69.18 -91.97 -54.33 . . 0 "[ . 1 . 2]"
49 CHI2 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD -90.00 -150.00 -84.96 80.84 -66.43 3.08 2 0 "[ . 1 . 2]"
50 CHI2 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 30.00 -30.00 -84.96 80.84 -66.43 . . 0 "[ . 1 . 2]"
51 CHI2 1 15 LYS CA 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 150.00 90.00 -84.96 80.84 -66.43 0.89 7 0 "[ . 1 . 2]"
52 CHI3 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE -90.00 -150.00 -155.28 81.14 -77.01 1.62 19 0 "[ . 1 . 2]"
53 CHI3 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 30.00 -30.00 -155.28 81.14 -77.01 . . 0 "[ . 1 . 2]"
54 CHI3 1 15 LYS CB 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 150.00 90.00 -155.28 81.14 -77.01 0.44 7 0 "[ . 1 . 2]"
55 CHI4 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 1 15 LYS NZ -90.00 -150.00 176.15 -91.96 -154.48 1.96 2 0 "[ . 1 . 2]"
56 CHI4 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 1 15 LYS NZ 30.00 -30.00 176.15 -91.96 -154.48 . . 0 "[ . 1 . 2]"
57 CHI4 1 15 LYS CG 1 15 LYS CD 1 15 LYS CE 1 15 LYS NZ 150.00 90.00 176.15 -91.96 -154.48 2.25 19 0 "[ . 1 . 2]"
58 CHI1 1 16 TYR N 1 16 TYR CA 1 16 TYR CB 1 16 TYR CG -90.00 -150.00 -72.63 -73.66 -73.95 . . 0 "[ . 1 . 2]"
59 CHI1 1 16 TYR N 1 16 TYR CA 1 16 TYR CB 1 16 TYR CG 30.00 -30.00 -72.63 -73.66 -73.95 . . 0 "[ . 1 . 2]"
60 CHI1 1 16 TYR N 1 16 TYR CA 1 16 TYR CB 1 16 TYR CG 150.00 90.00 -72.63 -73.66 -73.95 . . 0 "[ . 1 . 2]"
61 CHI1 1 17 ILE N 1 17 ILE CA 1 17 ILE CB 1 17 ILE CG1 -90.00 -150.00 -53.17 -54.78 -55.83 . . 0 "[ . 1 . 2]"
62 CHI1 1 17 ILE N 1 17 ILE CA 1 17 ILE CB 1 17 ILE CG1 30.00 -30.00 -53.17 -54.78 -55.83 . . 0 "[ . 1 . 2]"
63 CHI1 1 17 ILE N 1 17 ILE CA 1 17 ILE CB 1 17 ILE CG1 150.00 90.00 -53.17 -54.78 -55.83 . . 0 "[ . 1 . 2]"
64 CHI21 1 17 ILE CA 1 17 ILE CB 1 17 ILE CG1 1 17 ILE CD1 -90.00 -150.00 -68.89 -77.56 -54.26 . . 0 "[ . 1 . 2]"
65 CHI21 1 17 ILE CA 1 17 ILE CB 1 17 ILE CG1 1 17 ILE CD1 30.00 -30.00 -68.89 -77.56 -54.26 . . 0 "[ . 1 . 2]"
66 CHI21 1 17 ILE CA 1 17 ILE CB 1 17 ILE CG1 1 17 ILE CD1 150.00 90.00 -68.89 -77.56 -54.26 . . 0 "[ . 1 . 2]"
67 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG -90.00 -150.00 -170.84 -175.31 -166.09 . . 0 "[ . 1 . 2]"
68 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 30.00 -30.00 -170.84 -175.31 -166.09 . . 0 "[ . 1 . 2]"
69 CHI1 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 150.00 90.00 -170.84 -175.31 -166.09 . . 0 "[ . 1 . 2]"
70 CHI1 1 19 GLN N 1 19 GLN CA 1 19 GLN CB 1 19 GLN CG -90.00 -150.00 -89.25 -90.80 -83.70 0.80 13 0 "[ . 1 . 2]"
71 CHI1 1 19 GLN N 1 19 GLN CA 1 19 GLN CB 1 19 GLN CG 30.00 -30.00 -89.25 -90.80 -83.70 . . 0 "[ . 1 . 2]"
72 CHI1 1 19 GLN N 1 19 GLN CA 1 19 GLN CB 1 19 GLN CG 150.00 90.00 -89.25 -90.80 -83.70 . . 0 "[ . 1 . 2]"
73 CHI2 1 19 GLN CA 1 19 GLN CB 1 19 GLN CG 1 19 GLN CD -90.00 -150.00 -59.79 -57.19 -58.38 . . 0 "[ . 1 . 2]"
74 CHI2 1 19 GLN CA 1 19 GLN CB 1 19 GLN CG 1 19 GLN CD 30.00 -30.00 -59.79 -57.19 -58.38 . . 0 "[ . 1 . 2]"
75 CHI2 1 19 GLN CA 1 19 GLN CB 1 19 GLN CG 1 19 GLN CD 150.00 90.00 -59.79 -57.19 -58.38 . . 0 "[ . 1 . 2]"
76 CHI1 1 20 LYS N 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG -90.00 -150.00 -177.81 -173.23 -179.12 . . 0 "[ . 1 . 2]"
77 CHI1 1 20 LYS N 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 30.00 -30.00 -177.81 -173.23 -179.12 . . 0 "[ . 1 . 2]"
78 CHI1 1 20 LYS N 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 150.00 90.00 -177.81 -173.23 -179.12 . . 0 "[ . 1 . 2]"
79 CHI2 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD -90.00 -150.00 103.19 149.86 92.83 . . 0 "[ . 1 . 2]"
80 CHI2 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 30.00 -30.00 103.19 149.86 92.83 . . 0 "[ . 1 . 2]"
81 CHI2 1 20 LYS CA 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 150.00 90.00 103.19 149.86 92.83 2.83 11 0 "[ . 1 . 2]"
82 CHI3 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE -90.00 -150.00 -154.40 70.16 -64.42 1.60 16 0 "[ . 1 . 2]"
83 CHI3 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 30.00 -30.00 -154.40 70.16 -64.42 . . 0 "[ . 1 . 2]"
84 CHI3 1 20 LYS CB 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 150.00 90.00 -154.40 70.16 -64.42 . . 0 "[ . 1 . 2]"
85 CHI4 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 1 20 LYS NZ -90.00 -150.00 -166.95 -170.89 -175.39 2.64 17 0 "[ . 1 . 2]"
86 CHI4 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 1 20 LYS NZ 30.00 -30.00 -166.95 -170.89 -175.39 . . 0 "[ . 1 . 2]"
87 CHI4 1 20 LYS CG 1 20 LYS CD 1 20 LYS CE 1 20 LYS NZ 150.00 90.00 -166.95 -170.89 -175.39 2.17 6 0 "[ . 1 . 2]"
88 CHI1 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG -90.00 -150.00 67.07 67.41 67.15 . . 0 "[ . 1 . 2]"
89 CHI1 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG 30.00 -30.00 67.07 67.41 67.15 . . 0 "[ . 1 . 2]"
90 CHI1 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG 150.00 90.00 67.07 67.41 67.15 . . 0 "[ . 1 . 2]"
91 CHI1 1 22 HIS N 1 22 HIS CA 1 22 HIS CB 1 22 HIS CG -90.00 -150.00 -77.83 -85.83 -75.57 . . 0 "[ . 1 . 2]"
92 CHI1 1 22 HIS N 1 22 HIS CA 1 22 HIS CB 1 22 HIS CG 30.00 -30.00 -77.83 -85.83 -75.57 . . 0 "[ . 1 . 2]"
93 CHI1 1 22 HIS N 1 22 HIS CA 1 22 HIS CB 1 22 HIS CG 150.00 90.00 -77.83 -85.83 -75.57 . . 0 "[ . 1 . 2]"
94 CHI1 1 24 ILE N 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 -90.00 -150.00 -67.66 -81.94 -59.04 . . 0 "[ . 1 . 2]"
95 CHI1 1 24 ILE N 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 30.00 -30.00 -67.66 -81.94 -59.04 . . 0 "[ . 1 . 2]"
96 CHI1 1 24 ILE N 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 150.00 90.00 -67.66 -81.94 -59.04 . . 0 "[ . 1 . 2]"
97 CHI21 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 1 24 ILE CD1 -90.00 -150.00 -110.17 -174.60 -69.20 . . 0 "[ . 1 . 2]"
98 CHI21 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 1 24 ILE CD1 30.00 -30.00 -110.17 -174.60 -69.20 . . 0 "[ . 1 . 2]"
99 CHI21 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 1 24 ILE CD1 150.00 90.00 -110.17 -174.60 -69.20 . . 0 "[ . 1 . 2]"
100 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 -90.00 -150.00 -59.26 -62.37 -64.03 . . 0 "[ . 1 . 2]"
101 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 30.00 -30.00 -59.26 -62.37 -64.03 . . 0 "[ . 1 . 2]"
102 CHI1 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 150.00 90.00 -59.26 -62.37 -64.03 . . 0 "[ . 1 . 2]"
103 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 -90.00 -150.00 153.73 149.33 167.81 . . 0 "[ . 1 . 2]"
104 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 30.00 -30.00 153.73 149.33 167.81 . . 0 "[ . 1 . 2]"
105 CHI21 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 1 25 ILE CD1 150.00 90.00 153.73 149.33 167.81 0.67 16 0 "[ . 1 . 2]"
106 CHI1 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG -90.00 -150.00 120.69 55.70 -33.76 . . 0 "[ . 1 . 2]"
107 CHI1 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG 30.00 -30.00 120.69 55.70 -33.76 . . 0 "[ . 1 . 2]"
108 CHI1 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG 150.00 90.00 120.69 55.70 -33.76 0.58 20 0 "[ . 1 . 2]"
109 CHI1 1 27 GLU N 1 27 GLU CA 1 27 GLU CB 1 27 GLU CG -90.00 -150.00 60.31 59.98 59.71 . . 0 "[ . 1 . 2]"
110 CHI1 1 27 GLU N 1 27 GLU CA 1 27 GLU CB 1 27 GLU CG 30.00 -30.00 60.31 59.98 59.71 . . 0 "[ . 1 . 2]"
111 CHI1 1 27 GLU N 1 27 GLU CA 1 27 GLU CB 1 27 GLU CG 150.00 90.00 60.31 59.98 59.71 . . 0 "[ . 1 . 2]"
112 CHI2 1 27 GLU CA 1 27 GLU CB 1 27 GLU CG 1 27 GLU CD -90.00 -150.00 158.71 152.77 168.12 . . 0 "[ . 1 . 2]"
113 CHI2 1 27 GLU CA 1 27 GLU CB 1 27 GLU CG 1 27 GLU CD 30.00 -30.00 158.71 152.77 168.12 . . 0 "[ . 1 . 2]"
114 CHI2 1 27 GLU CA 1 27 GLU CB 1 27 GLU CG 1 27 GLU CD 150.00 90.00 158.71 152.77 168.12 . . 0 "[ . 1 . 2]"
115 CHI1 1 28 GLN N 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG -90.00 -150.00 -164.60 172.82 -149.78 0.22 20 0 "[ . 1 . 2]"
116 CHI1 1 28 GLN N 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG 30.00 -30.00 -164.60 172.82 -149.78 . . 0 "[ . 1 . 2]"
117 CHI1 1 28 GLN N 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG 150.00 90.00 -164.60 172.82 -149.78 . . 0 "[ . 1 . 2]"
118 CHI2 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG 1 28 GLN CD -90.00 -150.00 147.74 73.38 53.24 . . 0 "[ . 1 . 2]"
119 CHI2 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG 1 28 GLN CD 30.00 -30.00 147.74 73.38 53.24 . . 0 "[ . 1 . 2]"
120 CHI2 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG 1 28 GLN CD 150.00 90.00 147.74 73.38 53.24 . . 0 "[ . 1 . 2]"
121 CHI1 1 30 LEU N 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG -90.00 -150.00 155.29 153.83 157.78 . . 0 "[ . 1 . 2]"
122 CHI1 1 30 LEU N 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 30.00 -30.00 155.29 153.83 157.78 . . 0 "[ . 1 . 2]"
123 CHI1 1 30 LEU N 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 150.00 90.00 155.29 153.83 157.78 . . 0 "[ . 1 . 2]"
124 CHI2 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 1 30 LEU CD1 -90.00 -150.00 75.84 72.34 80.42 . . 0 "[ . 1 . 2]"
125 CHI2 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 1 30 LEU CD1 30.00 -30.00 75.84 72.34 80.42 . . 0 "[ . 1 . 2]"
126 CHI2 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG 1 30 LEU CD1 150.00 90.00 75.84 72.34 80.42 . . 0 "[ . 1 . 2]"
127 CHI1 1 31 ILE N 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 -90.00 -150.00 -57.88 -61.69 -54.31 . . 0 "[ . 1 . 2]"
128 CHI1 1 31 ILE N 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 30.00 -30.00 -57.88 -61.69 -54.31 . . 0 "[ . 1 . 2]"
129 CHI1 1 31 ILE N 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 150.00 90.00 -57.88 -61.69 -54.31 . . 0 "[ . 1 . 2]"
130 CHI21 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 1 31 ILE CD1 -90.00 -150.00 -62.77 -67.60 -57.13 . . 0 "[ . 1 . 2]"
131 CHI21 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 1 31 ILE CD1 30.00 -30.00 -62.77 -67.60 -57.13 . . 0 "[ . 1 . 2]"
132 CHI21 1 31 ILE CA 1 31 ILE CB 1 31 ILE CG1 1 31 ILE CD1 150.00 90.00 -62.77 -67.60 -57.13 . . 0 "[ . 1 . 2]"
133 CHI1 1 32 PHE N 1 32 PHE CA 1 32 PHE CB 1 32 PHE CG -90.00 -150.00 -177.59 174.28 -169.86 . . 0 "[ . 1 . 2]"
134 CHI1 1 32 PHE N 1 32 PHE CA 1 32 PHE CB 1 32 PHE CG 30.00 -30.00 -177.59 174.28 -169.86 . . 0 "[ . 1 . 2]"
135 CHI1 1 32 PHE N 1 32 PHE CA 1 32 PHE CB 1 32 PHE CG 150.00 90.00 -177.59 174.28 -169.86 . . 0 "[ . 1 . 2]"
136 CHI1 1 33 LYS N 1 33 LYS CA 1 33 LYS CB 1 33 LYS CG -90.00 -150.00 -68.16 -88.34 -53.01 . . 0 "[ . 1 . 2]"
137 CHI1 1 33 LYS N 1 33 LYS CA 1 33 LYS CB 1 33 LYS CG 30.00 -30.00 -68.16 -88.34 -53.01 . . 0 "[ . 1 . 2]"
138 CHI1 1 33 LYS N 1 33 LYS CA 1 33 LYS CB 1 33 LYS CG 150.00 90.00 -68.16 -88.34 -53.01 . . 0 "[ . 1 . 2]"
139 CHI2 1 33 LYS CA 1 33 LYS CB 1 33 LYS CG 1 33 LYS CD -90.00 -150.00 -172.32 171.29 -150.44 . . 0 "[ . 1 . 2]"
140 CHI2 1 33 LYS CA 1 33 LYS CB 1 33 LYS CG 1 33 LYS CD 30.00 -30.00 -172.32 171.29 -150.44 . . 0 "[ . 1 . 2]"
141 CHI2 1 33 LYS CA 1 33 LYS CB 1 33 LYS CG 1 33 LYS CD 150.00 90.00 -172.32 171.29 -150.44 . . 0 "[ . 1 . 2]"
142 CHI3 1 33 LYS CB 1 33 LYS CG 1 33 LYS CD 1 33 LYS CE -90.00 -150.00 175.24 176.46 173.45 . . 0 "[ . 1 . 2]"
143 CHI3 1 33 LYS CB 1 33 LYS CG 1 33 LYS CD 1 33 LYS CE 30.00 -30.00 175.24 176.46 173.45 . . 0 "[ . 1 . 2]"
144 CHI3 1 33 LYS CB 1 33 LYS CG 1 33 LYS CD 1 33 LYS CE 150.00 90.00 175.24 176.46 173.45 . . 0 "[ . 1 . 2]"
145 CHI4 1 33 LYS CG 1 33 LYS CD 1 33 LYS CE 1 33 LYS NZ -90.00 -150.00 -147.22 -90.41 -155.05 0.41 10 0 "[ . 1 . 2]"
146 CHI4 1 33 LYS CG 1 33 LYS CD 1 33 LYS CE 1 33 LYS NZ 30.00 -30.00 -147.22 -90.41 -155.05 . . 0 "[ . 1 . 2]"
147 CHI4 1 33 LYS CG 1 33 LYS CD 1 33 LYS CE 1 33 LYS NZ 150.00 90.00 -147.22 -90.41 -155.05 . . 0 "[ . 1 . 2]"
148 CHI1 1 34 ASN N 1 34 ASN CA 1 34 ASN CB 1 34 ASN CG -90.00 -150.00 -120.65 -79.80 -150.16 . . 0 "[ . 1 . 2]"
149 CHI1 1 34 ASN N 1 34 ASN CA 1 34 ASN CB 1 34 ASN CG 30.00 -30.00 -120.65 -79.80 -150.16 . . 0 "[ . 1 . 2]"
150 CHI1 1 34 ASN N 1 34 ASN CA 1 34 ASN CB 1 34 ASN CG 150.00 90.00 -120.65 -79.80 -150.16 . . 0 "[ . 1 . 2]"
151 CHI1 1 35 ASP N 1 35 ASP CA 1 35 ASP CB 1 35 ASP CG -90.00 -150.00 -62.72 -65.82 -67.70 . . 0 "[ . 1 . 2]"
152 CHI1 1 35 ASP N 1 35 ASP CA 1 35 ASP CB 1 35 ASP CG 30.00 -30.00 -62.72 -65.82 -67.70 . . 0 "[ . 1 . 2]"
153 CHI1 1 35 ASP N 1 35 ASP CA 1 35 ASP CB 1 35 ASP CG 150.00 90.00 -62.72 -65.82 -67.70 . . 0 "[ . 1 . 2]"
154 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG -90.00 -150.00 -63.50 -63.07 -63.51 . . 0 "[ . 1 . 2]"
155 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 30.00 -30.00 -63.50 -63.07 -63.51 . . 0 "[ . 1 . 2]"
156 CHI1 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 150.00 90.00 -63.50 -63.07 -63.51 . . 0 "[ . 1 . 2]"
157 CHI1 1 38 HIS N 1 38 HIS CA 1 38 HIS CB 1 38 HIS CG -90.00 -150.00 -84.54 -90.45 -77.93 0.45 20 0 "[ . 1 . 2]"
158 CHI1 1 38 HIS N 1 38 HIS CA 1 38 HIS CB 1 38 HIS CG 30.00 -30.00 -84.54 -90.45 -77.93 . . 0 "[ . 1 . 2]"
159 CHI1 1 38 HIS N 1 38 HIS CA 1 38 HIS CB 1 38 HIS CG 150.00 90.00 -84.54 -90.45 -77.93 . . 0 "[ . 1 . 2]"
160 CHI1 1 40 ASP N 1 40 ASP CA 1 40 ASP CB 1 40 ASP CG -90.00 -150.00 66.62 37.48 -91.80 1.80 20 0 "[ . 1 . 2]"
161 CHI1 1 40 ASP N 1 40 ASP CA 1 40 ASP CB 1 40 ASP CG 30.00 -30.00 66.62 37.48 -91.80 . . 0 "[ . 1 . 2]"
162 CHI1 1 40 ASP N 1 40 ASP CA 1 40 ASP CB 1 40 ASP CG 150.00 90.00 66.62 37.48 -91.80 0.28 7 0 "[ . 1 . 2]"
163 CHI1 1 41 HIS N 1 41 HIS CA 1 41 HIS CB 1 41 HIS CG -90.00 -150.00 -78.67 -78.81 -79.38 . . 0 "[ . 1 . 2]"
164 CHI1 1 41 HIS N 1 41 HIS CA 1 41 HIS CB 1 41 HIS CG 30.00 -30.00 -78.67 -78.81 -79.38 . . 0 "[ . 1 . 2]"
165 CHI1 1 41 HIS N 1 41 HIS CA 1 41 HIS CB 1 41 HIS CG 150.00 90.00 -78.67 -78.81 -79.38 . . 0 "[ . 1 . 2]"
166 CHI1 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG -90.00 -150.00 -39.90 -43.79 -36.01 . . 0 "[ . 1 . 2]"
167 CHI1 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG 30.00 -30.00 -39.90 -43.79 -36.01 . . 0 "[ . 1 . 2]"
168 CHI1 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG 150.00 90.00 -39.90 -43.79 -36.01 . . 0 "[ . 1 . 2]"
169 CHI1 1 43 ASN N 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG -90.00 -150.00 -76.71 -89.48 -67.30 . . 0 "[ . 1 . 2]"
170 CHI1 1 43 ASN N 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG 30.00 -30.00 -76.71 -89.48 -67.30 . . 0 "[ . 1 . 2]"
171 CHI1 1 43 ASN N 1 43 ASN CA 1 43 ASN CB 1 43 ASN CG 150.00 90.00 -76.71 -89.48 -67.30 . . 0 "[ . 1 . 2]"
172 CHI1 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG -90.00 -150.00 -170.10 -175.58 -166.92 . . 0 "[ . 1 . 2]"
173 CHI1 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG 30.00 -30.00 -170.10 -175.58 -166.92 . . 0 "[ . 1 . 2]"
174 CHI1 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG 150.00 90.00 -170.10 -175.58 -166.92 . . 0 "[ . 1 . 2]"
175 CHI1 1 46 ASN N 1 46 ASN CA 1 46 ASN CB 1 46 ASN CG -90.00 -150.00 -174.86 -175.75 -178.11 . . 0 "[ . 1 . 2]"
176 CHI1 1 46 ASN N 1 46 ASN CA 1 46 ASN CB 1 46 ASN CG 30.00 -30.00 -174.86 -175.75 -178.11 . . 0 "[ . 1 . 2]"
177 CHI1 1 46 ASN N 1 46 ASN CA 1 46 ASN CB 1 46 ASN CG 150.00 90.00 -174.86 -175.75 -178.11 . . 0 "[ . 1 . 2]"
178 CHI1 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG -90.00 -150.00 56.79 57.32 56.14 . . 0 "[ . 1 . 2]"
179 CHI1 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG 30.00 -30.00 56.79 57.32 56.14 . . 0 "[ . 1 . 2]"
180 CHI1 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG 150.00 90.00 56.79 57.32 56.14 . . 0 "[ . 1 . 2]"
181 CHI1 1 49 LYS N 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG -90.00 -150.00 74.50 66.30 84.63 . . 0 "[ . 1 . 2]"
182 CHI1 1 49 LYS N 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG 30.00 -30.00 74.50 66.30 84.63 . . 0 "[ . 1 . 2]"
183 CHI1 1 49 LYS N 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG 150.00 90.00 74.50 66.30 84.63 . . 0 "[ . 1 . 2]"
184 CHI2 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG 1 49 LYS CD -90.00 -150.00 142.32 89.74 -173.06 . . 0 "[ . 1 . 2]"
185 CHI2 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG 1 49 LYS CD 30.00 -30.00 142.32 89.74 -173.06 . . 0 "[ . 1 . 2]"
186 CHI2 1 49 LYS CA 1 49 LYS CB 1 49 LYS CG 1 49 LYS CD 150.00 90.00 142.32 89.74 -173.06 3.08 15 0 "[ . 1 . 2]"
187 CHI3 1 49 LYS CB 1 49 LYS CG 1 49 LYS CD 1 49 LYS CE -90.00 -150.00 -44.73 67.87 -80.39 . . 0 "[ . 1 . 2]"
188 CHI3 1 49 LYS CB 1 49 LYS CG 1 49 LYS CD 1 49 LYS CE 30.00 -30.00 -44.73 67.87 -80.39 . . 0 "[ . 1 . 2]"
189 CHI3 1 49 LYS CB 1 49 LYS CG 1 49 LYS CD 1 49 LYS CE 150.00 90.00 -44.73 67.87 -80.39 . . 0 "[ . 1 . 2]"
190 CHI4 1 49 LYS CG 1 49 LYS CD 1 49 LYS CE 1 49 LYS NZ -90.00 -150.00 155.07 150.52 92.51 0.84 18 0 "[ . 1 . 2]"
191 CHI4 1 49 LYS CG 1 49 LYS CD 1 49 LYS CE 1 49 LYS NZ 30.00 -30.00 155.07 150.52 92.51 . . 0 "[ . 1 . 2]"
192 CHI4 1 49 LYS CG 1 49 LYS CD 1 49 LYS CE 1 49 LYS NZ 150.00 90.00 155.07 150.52 92.51 2.51 3 0 "[ . 1 . 2]"
193 CHI1 1 50 GLU N 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG -90.00 -150.00 -165.98 -169.09 -172.59 . . 0 "[ . 1 . 2]"
194 CHI1 1 50 GLU N 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG 30.00 -30.00 -165.98 -169.09 -172.59 . . 0 "[ . 1 . 2]"
195 CHI1 1 50 GLU N 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG 150.00 90.00 -165.98 -169.09 -172.59 . . 0 "[ . 1 . 2]"
196 CHI2 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG 1 50 GLU CD -90.00 -150.00 158.70 87.75 -89.01 . . 0 "[ . 1 . 2]"
197 CHI2 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG 1 50 GLU CD 30.00 -30.00 158.70 87.75 -89.01 . . 0 "[ . 1 . 2]"
198 CHI2 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG 1 50 GLU CD 150.00 90.00 158.70 87.75 -89.01 . . 0 "[ . 1 . 2]"
199 CHI1 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG -90.00 -150.00 -73.78 -73.17 -73.37 . . 0 "[ . 1 . 2]"
200 CHI1 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 30.00 -30.00 -73.78 -73.17 -73.37 . . 0 "[ . 1 . 2]"
201 CHI1 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 150.00 90.00 -73.78 -73.17 -73.37 . . 0 "[ . 1 . 2]"
202 CHI2 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 1 51 LEU CD1 -90.00 -150.00 170.38 171.59 171.02 . . 0 "[ . 1 . 2]"
203 CHI2 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 1 51 LEU CD1 30.00 -30.00 170.38 171.59 171.02 . . 0 "[ . 1 . 2]"
204 CHI2 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 1 51 LEU CD1 150.00 90.00 170.38 171.59 171.02 . . 0 "[ . 1 . 2]"
205 CHI1 1 52 THR N 1 52 THR CA 1 52 THR CB 1 52 THR OG1 -90.00 -150.00 57.40 56.83 56.39 . . 0 "[ . 1 . 2]"
206 CHI1 1 52 THR N 1 52 THR CA 1 52 THR CB 1 52 THR OG1 30.00 -30.00 57.40 56.83 56.39 . . 0 "[ . 1 . 2]"
207 CHI1 1 52 THR N 1 52 THR CA 1 52 THR CB 1 52 THR OG1 150.00 90.00 57.40 56.83 56.39 . . 0 "[ . 1 . 2]"
208 CHI1 1 54 ASP N 1 54 ASP CA 1 54 ASP CB 1 54 ASP CG -90.00 -150.00 -63.23 -75.92 -86.37 0.33 4 0 "[ . 1 . 2]"
209 CHI1 1 54 ASP N 1 54 ASP CA 1 54 ASP CB 1 54 ASP CG 30.00 -30.00 -63.23 -75.92 -86.37 . . 0 "[ . 1 . 2]"
210 CHI1 1 54 ASP N 1 54 ASP CA 1 54 ASP CB 1 54 ASP CG 150.00 90.00 -63.23 -75.92 -86.37 . . 0 "[ . 1 . 2]"
211 CHI1 1 56 ARG N 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG -90.00 -150.00 -56.52 -53.85 -54.78 . . 0 "[ . 1 . 2]"
212 CHI1 1 56 ARG N 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 30.00 -30.00 -56.52 -53.85 -54.78 . . 0 "[ . 1 . 2]"
213 CHI1 1 56 ARG N 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 150.00 90.00 -56.52 -53.85 -54.78 . . 0 "[ . 1 . 2]"
214 CHI2 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD -90.00 -150.00 -71.31 -70.64 -71.75 . . 0 "[ . 1 . 2]"
215 CHI2 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 30.00 -30.00 -71.31 -70.64 -71.75 . . 0 "[ . 1 . 2]"
216 CHI2 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 150.00 90.00 -71.31 -70.64 -71.75 . . 0 "[ . 1 . 2]"
217 CHI3 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 1 56 ARG NE -90.00 -150.00 -160.96 85.09 -60.03 . . 0 "[ . 1 . 2]"
218 CHI3 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 1 56 ARG NE 30.00 -30.00 -160.96 85.09 -60.03 . . 0 "[ . 1 . 2]"
219 CHI3 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 1 56 ARG NE 150.00 90.00 -160.96 85.09 -60.03 0.08 12 0 "[ . 1 . 2]"
220 CHI1 1 57 GLU N 1 57 GLU CA 1 57 GLU CB 1 57 GLU CG -90.00 -150.00 176.16 161.93 -177.51 . . 0 "[ . 1 . 2]"
221 CHI1 1 57 GLU N 1 57 GLU CA 1 57 GLU CB 1 57 GLU CG 30.00 -30.00 176.16 161.93 -177.51 . . 0 "[ . 1 . 2]"
222 CHI1 1 57 GLU N 1 57 GLU CA 1 57 GLU CB 1 57 GLU CG 150.00 90.00 176.16 161.93 -177.51 . . 0 "[ . 1 . 2]"
223 CHI2 1 57 GLU CA 1 57 GLU CB 1 57 GLU CG 1 57 GLU CD -90.00 -150.00 -149.01 -90.17 -90.64 0.92 14 0 "[ . 1 . 2]"
224 CHI2 1 57 GLU CA 1 57 GLU CB 1 57 GLU CG 1 57 GLU CD 30.00 -30.00 -149.01 -90.17 -90.64 . . 0 "[ . 1 . 2]"
225 CHI2 1 57 GLU CA 1 57 GLU CB 1 57 GLU CG 1 57 GLU CD 150.00 90.00 -149.01 -90.17 -90.64 . . 0 "[ . 1 . 2]"
226 CHI1 1 58 LEU N 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG -90.00 -150.00 -100.74 -153.47 -73.85 5.39 16 1 "[ . 1 .+ 2]"
227 CHI1 1 58 LEU N 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG 30.00 -30.00 -100.74 -153.47 -73.85 . . 0 "[ . 1 . 2]"
228 CHI1 1 58 LEU N 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG 150.00 90.00 -100.74 -153.47 -73.85 . . 0 "[ . 1 . 2]"
229 CHI2 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG 1 58 LEU CD1 -90.00 -150.00 144.60 58.65 -70.21 . . 0 "[ . 1 . 2]"
230 CHI2 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG 1 58 LEU CD1 30.00 -30.00 144.60 58.65 -70.21 . . 0 "[ . 1 . 2]"
231 CHI2 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG 1 58 LEU CD1 150.00 90.00 144.60 58.65 -70.21 2.45 16 0 "[ . 1 . 2]"
232 CHI1 1 59 LYS N 1 59 LYS CA 1 59 LYS CB 1 59 LYS CG -90.00 -150.00 -64.91 -77.43 -89.55 0.36 1 0 "[ . 1 . 2]"
233 CHI1 1 59 LYS N 1 59 LYS CA 1 59 LYS CB 1 59 LYS CG 30.00 -30.00 -64.91 -77.43 -89.55 . . 0 "[ . 1 . 2]"
234 CHI1 1 59 LYS N 1 59 LYS CA 1 59 LYS CB 1 59 LYS CG 150.00 90.00 -64.91 -77.43 -89.55 . . 0 "[ . 1 . 2]"
235 CHI2 1 59 LYS CA 1 59 LYS CB 1 59 LYS CG 1 59 LYS CD -90.00 -150.00 112.48 74.42 -66.86 . . 0 "[ . 1 . 2]"
236 CHI2 1 59 LYS CA 1 59 LYS CB 1 59 LYS CG 1 59 LYS CD 30.00 -30.00 112.48 74.42 -66.86 . . 0 "[ . 1 . 2]"
237 CHI2 1 59 LYS CA 1 59 LYS CB 1 59 LYS CG 1 59 LYS CD 150.00 90.00 112.48 74.42 -66.86 0.47 7 0 "[ . 1 . 2]"
238 CHI3 1 59 LYS CB 1 59 LYS CG 1 59 LYS CD 1 59 LYS CE -90.00 -150.00 -172.69 77.92 -85.05 0.55 7 0 "[ . 1 . 2]"
239 CHI3 1 59 LYS CB 1 59 LYS CG 1 59 LYS CD 1 59 LYS CE 30.00 -30.00 -172.69 77.92 -85.05 . . 0 "[ . 1 . 2]"
240 CHI3 1 59 LYS CB 1 59 LYS CG 1 59 LYS CD 1 59 LYS CE 150.00 90.00 -172.69 77.92 -85.05 3.31 5 0 "[ . 1 . 2]"
241 CHI4 1 59 LYS CG 1 59 LYS CD 1 59 LYS CE 1 59 LYS NZ -90.00 -150.00 -129.35 -88.58 -156.97 . . 0 "[ . 1 . 2]"
242 CHI4 1 59 LYS CG 1 59 LYS CD 1 59 LYS CE 1 59 LYS NZ 30.00 -30.00 -129.35 -88.58 -156.97 . . 0 "[ . 1 . 2]"
243 CHI4 1 59 LYS CG 1 59 LYS CD 1 59 LYS CE 1 59 LYS NZ 150.00 90.00 -129.35 -88.58 -156.97 . . 0 "[ . 1 . 2]"
244 CHI1 1 61 GLU N 1 61 GLU CA 1 61 GLU CB 1 61 GLU CG -90.00 -150.00 -74.57 -82.74 -66.65 . . 0 "[ . 1 . 2]"
245 CHI1 1 61 GLU N 1 61 GLU CA 1 61 GLU CB 1 61 GLU CG 30.00 -30.00 -74.57 -82.74 -66.65 . . 0 "[ . 1 . 2]"
246 CHI1 1 61 GLU N 1 61 GLU CA 1 61 GLU CB 1 61 GLU CG 150.00 90.00 -74.57 -82.74 -66.65 . . 0 "[ . 1 . 2]"
247 CHI2 1 61 GLU CA 1 61 GLU CB 1 61 GLU CG 1 61 GLU CD -90.00 -150.00 -77.09 -86.20 -177.67 . . 0 "[ . 1 . 2]"
248 CHI2 1 61 GLU CA 1 61 GLU CB 1 61 GLU CG 1 61 GLU CD 30.00 -30.00 -77.09 -86.20 -177.67 . . 0 "[ . 1 . 2]"
249 CHI2 1 61 GLU CA 1 61 GLU CB 1 61 GLU CG 1 61 GLU CD 150.00 90.00 -77.09 -86.20 -177.67 . . 0 "[ . 1 . 2]"
250 CHI1 1 62 LEU N 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG -90.00 -150.00 -67.63 -61.29 -64.11 . . 0 "[ . 1 . 2]"
251 CHI1 1 62 LEU N 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG 30.00 -30.00 -67.63 -61.29 -64.11 . . 0 "[ . 1 . 2]"
252 CHI1 1 62 LEU N 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG 150.00 90.00 -67.63 -61.29 -64.11 . . 0 "[ . 1 . 2]"
253 CHI2 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG 1 62 LEU CD1 -90.00 -150.00 160.54 157.45 156.30 . . 0 "[ . 1 . 2]"
254 CHI2 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG 1 62 LEU CD1 30.00 -30.00 160.54 157.45 156.30 . . 0 "[ . 1 . 2]"
255 CHI2 1 62 LEU CA 1 62 LEU CB 1 62 LEU CG 1 62 LEU CD1 150.00 90.00 160.54 157.45 156.30 . . 0 "[ . 1 . 2]"
256 CHI1 1 63 TYR N 1 63 TYR CA 1 63 TYR CB 1 63 TYR CG -90.00 -150.00 -58.39 -62.91 -51.16 . . 0 "[ . 1 . 2]"
257 CHI1 1 63 TYR N 1 63 TYR CA 1 63 TYR CB 1 63 TYR CG 30.00 -30.00 -58.39 -62.91 -51.16 . . 0 "[ . 1 . 2]"
258 CHI1 1 63 TYR N 1 63 TYR CA 1 63 TYR CB 1 63 TYR CG 150.00 90.00 -58.39 -62.91 -51.16 . . 0 "[ . 1 . 2]"
259 CHI1 1 64 CYS N 1 64 CYS CA 1 64 CYS CB 1 64 CYS SG -90.00 -150.00 67.20 70.13 69.49 . . 0 "[ . 1 . 2]"
260 CHI1 1 64 CYS N 1 64 CYS CA 1 64 CYS CB 1 64 CYS SG 30.00 -30.00 67.20 70.13 69.49 . . 0 "[ . 1 . 2]"
261 CHI1 1 64 CYS N 1 64 CYS CA 1 64 CYS CB 1 64 CYS SG 150.00 90.00 67.20 70.13 69.49 . . 0 "[ . 1 . 2]"
262 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG -90.00 -150.00 -92.33 -91.81 -91.87 3.83 20 0 "[ . 1 . 2]"
263 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 30.00 -30.00 -92.33 -91.81 -91.87 . . 0 "[ . 1 . 2]"
264 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 150.00 90.00 -92.33 -91.81 -91.87 . . 0 "[ . 1 . 2]"
265 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 -90.00 -150.00 -65.46 -59.07 -60.63 . . 0 "[ . 1 . 2]"
266 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 30.00 -30.00 -65.46 -59.07 -60.63 . . 0 "[ . 1 . 2]"
267 CHI2 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG 1 65 LEU CD1 150.00 90.00 -65.46 -59.07 -60.63 . . 0 "[ . 1 . 2]"
268 CHI1 1 67 CYS N 1 67 CYS CA 1 67 CYS CB 1 67 CYS SG -90.00 -150.00 -79.46 -81.11 -82.27 . . 0 "[ . 1 . 2]"
269 CHI1 1 67 CYS N 1 67 CYS CA 1 67 CYS CB 1 67 CYS SG 30.00 -30.00 -79.46 -81.11 -82.27 . . 0 "[ . 1 . 2]"
270 CHI1 1 67 CYS N 1 67 CYS CA 1 67 CYS CB 1 67 CYS SG 150.00 90.00 -79.46 -81.11 -82.27 . . 0 "[ . 1 . 2]"
271 CHI1 1 68 HIS N 1 68 HIS CA 1 68 HIS CB 1 68 HIS CG -90.00 -150.00 -159.05 -167.79 -149.41 0.59 1 0 "[ . 1 . 2]"
272 CHI1 1 68 HIS N 1 68 HIS CA 1 68 HIS CB 1 68 HIS CG 30.00 -30.00 -159.05 -167.79 -149.41 . . 0 "[ . 1 . 2]"
273 CHI1 1 68 HIS N 1 68 HIS CA 1 68 HIS CB 1 68 HIS CG 150.00 90.00 -159.05 -167.79 -149.41 . . 0 "[ . 1 . 2]"
274 CHI1 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG -90.00 -150.00 -135.65 -90.67 -156.70 0.67 20 0 "[ . 1 . 2]"
275 CHI1 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG 30.00 -30.00 -135.65 -90.67 -156.70 . . 0 "[ . 1 . 2]"
276 CHI1 1 69 ASP N 1 69 ASP CA 1 69 ASP CB 1 69 ASP CG 150.00 90.00 -135.65 -90.67 -156.70 . . 0 "[ . 1 . 2]"
277 CHI1 1 70 LYS N 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG -90.00 -150.00 9.33 65.36 -48.71 . . 0 "[ . 1 . 2]"
278 CHI1 1 70 LYS N 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG 30.00 -30.00 9.33 65.36 -48.71 . . 0 "[ . 1 . 2]"
279 CHI1 1 70 LYS N 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG 150.00 90.00 9.33 65.36 -48.71 . . 0 "[ . 1 . 2]"
280 CHI2 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG 1 70 LYS CD -90.00 -150.00 -179.50 -171.41 -176.87 . . 0 "[ . 1 . 2]"
281 CHI2 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG 1 70 LYS CD 30.00 -30.00 -179.50 -171.41 -176.87 . . 0 "[ . 1 . 2]"
282 CHI2 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG 1 70 LYS CD 150.00 90.00 -179.50 -171.41 -176.87 . . 0 "[ . 1 . 2]"
283 CHI3 1 70 LYS CB 1 70 LYS CG 1 70 LYS CD 1 70 LYS CE -90.00 -150.00 -165.84 -168.02 -172.45 3.16 11 0 "[ . 1 . 2]"
284 CHI3 1 70 LYS CB 1 70 LYS CG 1 70 LYS CD 1 70 LYS CE 30.00 -30.00 -165.84 -168.02 -172.45 . . 0 "[ . 1 . 2]"
285 CHI3 1 70 LYS CB 1 70 LYS CG 1 70 LYS CD 1 70 LYS CE 150.00 90.00 -165.84 -168.02 -172.45 . . 0 "[ . 1 . 2]"
286 CHI4 1 70 LYS CG 1 70 LYS CD 1 70 LYS CE 1 70 LYS NZ -90.00 -150.00 163.47 64.37 -70.54 . . 0 "[ . 1 . 2]"
287 CHI4 1 70 LYS CG 1 70 LYS CD 1 70 LYS CE 1 70 LYS NZ 30.00 -30.00 163.47 64.37 -70.54 . . 0 "[ . 1 . 2]"
288 CHI4 1 70 LYS CG 1 70 LYS CD 1 70 LYS CE 1 70 LYS NZ 150.00 90.00 163.47 64.37 -70.54 . . 0 "[ . 1 . 2]"
289 CHI1 1 71 MET N 1 71 MET CA 1 71 MET CB 1 71 MET CG -90.00 -150.00 -66.25 -88.97 -52.81 . . 0 "[ . 1 . 2]"
290 CHI1 1 71 MET N 1 71 MET CA 1 71 MET CB 1 71 MET CG 30.00 -30.00 -66.25 -88.97 -52.81 . . 0 "[ . 1 . 2]"
291 CHI1 1 71 MET N 1 71 MET CA 1 71 MET CB 1 71 MET CG 150.00 90.00 -66.25 -88.97 -52.81 . . 0 "[ . 1 . 2]"
292 CHI2 1 71 MET CA 1 71 MET CB 1 71 MET CG 1 71 MET SD -90.00 -150.00 -91.03 -85.55 -149.96 0.04 10 0 "[ . 1 . 2]"
293 CHI2 1 71 MET CA 1 71 MET CB 1 71 MET CG 1 71 MET SD 30.00 -30.00 -91.03 -85.55 -149.96 . . 0 "[ . 1 . 2]"
294 CHI2 1 71 MET CA 1 71 MET CB 1 71 MET CG 1 71 MET SD 150.00 90.00 -91.03 -85.55 -149.96 . . 0 "[ . 1 . 2]"
295 CHI1 1 73 VAL N 1 73 VAL CA 1 73 VAL CB 1 73 VAL CG1 -90.00 -150.00 -63.57 -64.48 -66.25 . . 0 "[ . 1 . 2]"
296 CHI1 1 73 VAL N 1 73 VAL CA 1 73 VAL CB 1 73 VAL CG1 30.00 -30.00 -63.57 -64.48 -66.25 . . 0 "[ . 1 . 2]"
297 CHI1 1 73 VAL N 1 73 VAL CA 1 73 VAL CB 1 73 VAL CG1 150.00 90.00 -63.57 -64.48 -66.25 . . 0 "[ . 1 . 2]"
298 CHI1 1 74 SER N 1 74 SER CA 1 74 SER CB 1 74 SER OG -90.00 -150.00 -121.53 -74.10 -81.33 . . 0 "[ . 1 . 2]"
299 CHI1 1 74 SER N 1 74 SER CA 1 74 SER CB 1 74 SER OG 30.00 -30.00 -121.53 -74.10 -81.33 . . 0 "[ . 1 . 2]"
300 CHI1 1 74 SER N 1 74 SER CA 1 74 SER CB 1 74 SER OG 150.00 90.00 -121.53 -74.10 -81.33 . . 0 "[ . 1 . 2]"
301 CHI1 1 77 SER N 1 77 SER CA 1 77 SER CB 1 77 SER OG -90.00 -150.00 -142.44 -171.03 -174.10 0.10 11 0 "[ . 1 . 2]"
302 CHI1 1 77 SER N 1 77 SER CA 1 77 SER CB 1 77 SER OG 30.00 -30.00 -142.44 -171.03 -174.10 . . 0 "[ . 1 . 2]"
303 CHI1 1 77 SER N 1 77 SER CA 1 77 SER CB 1 77 SER OG 150.00 90.00 -142.44 -171.03 -174.10 . . 0 "[ . 1 . 2]"
304 CHI1 1 78 SER N 1 78 SER CA 1 78 SER CB 1 78 SER OG -90.00 -150.00 -52.20 -179.22 69.81 . . 0 "[ . 1 . 2]"
305 CHI1 1 78 SER N 1 78 SER CA 1 78 SER CB 1 78 SER OG 30.00 -30.00 -52.20 -179.22 69.81 . . 0 "[ . 1 . 2]"
306 CHI1 1 78 SER N 1 78 SER CA 1 78 SER CB 1 78 SER OG 150.00 90.00 -52.20 -179.22 69.81 . . 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 9
_TA_constraint_stats_list.Viol_count 20
_TA_constraint_stats_list.Viol_total 932.34
_TA_constraint_stats_list.Viol_max 3.83
_TA_constraint_stats_list.Viol_rms 0.76
_TA_constraint_stats_list.Viol_average_all_restraints 0.26
_TA_constraint_stats_list.Viol_average_violations_only 2.33
_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 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 150.00 -150.00 -170.84 -175.31 -166.09 . . 0 "[ . 1 . 2]"
2 CHI1 1 22 HIS N 1 22 HIS CA 1 22 HIS CB 1 22 HIS CG -90.00 -30.00 -77.83 -85.83 -75.57 . . 0 "[ . 1 . 2]"
3 CHI1 1 41 HIS N 1 41 HIS CA 1 41 HIS CB 1 41 HIS CG -90.00 -30.00 -78.67 -78.81 -79.38 . . 0 "[ . 1 . 2]"
4 CHI1 1 44 CYS N 1 44 CYS CA 1 44 CYS CB 1 44 CYS SG 150.00 -150.00 -170.10 -175.58 -166.92 . . 0 "[ . 1 . 2]"
5 CHI1 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG 30.00 90.00 56.79 57.32 56.14 . . 0 "[ . 1 . 2]"
6 CHI1 1 64 CYS N 1 64 CYS CA 1 64 CYS CB 1 64 CYS SG 30.00 90.00 67.20 70.13 69.49 . . 0 "[ . 1 . 2]"
7 CHI1 1 67 CYS N 1 67 CYS CA 1 67 CYS CB 1 67 CYS SG -90.00 -30.00 -79.46 -81.11 -82.27 . . 0 "[ . 1 . 2]"
8 CHI1 1 65 LEU N 1 65 LEU CA 1 65 LEU CB 1 65 LEU CG -90.00 -30.00 -92.33 -91.81 -91.87 3.83 20 0 "[ . 1 . 2]"
9 CHI1 1 73 VAL N 1 73 VAL CA 1 73 VAL CB 1 73 VAL CG1 -90.00 -30.00 -63.57 -64.48 -66.25 . . 0 "[ . 1 . 2]"
stop_
save_
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