NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482799 |
1rqv   |
4429 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1rqv
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 196
_TA_constraint_stats_list.Viol_count 28
_TA_constraint_stats_list.Viol_total 658.00
_TA_constraint_stats_list.Viol_max 123.28
_TA_constraint_stats_list.Viol_rms 16.27
_TA_constraint_stats_list.Viol_average_all_restraints 3.36
_TA_constraint_stats_list.Viol_average_violations_only 23.50
_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 1 SER N 1 1 SER CA 1 1 SER CB 1 1 SER OG 160.00 70.00 -66.39 -66.39 -66.39 . . 0 "[ ]"
2 PSI 1 1 SER N 1 1 SER CA 1 1 SER C 1 2 ILE N 70.00 100.00 69.51 69.51 69.51 0.49 1 0 "[ ]"
3 PHI 1 1 SER C 1 2 ILE N 1 2 ILE CA 1 2 ILE C -130.00 -95.00 -98.86 -98.86 -98.86 . . 0 "[ ]"
4 PSI 1 2 ILE N 1 2 ILE CA 1 2 ILE C 1 3 THR N 50.00 80.00 58.07 58.07 58.07 . . 0 "[ ]"
5 PHI 1 2 ILE C 1 3 THR N 1 3 THR CA 1 3 THR C -110.00 -75.00 -76.63 -76.63 -76.63 . . 0 "[ ]"
6 CHI1 1 3 THR N 1 3 THR CA 1 3 THR CB 1 3 THR OG1 40.00 80.00 55.04 55.04 55.04 . . 0 "[ ]"
7 PSI 1 3 THR N 1 3 THR CA 1 3 THR C 1 4 LYS N 150.00 -170.00 167.90 167.90 167.90 . . 0 "[ ]"
8 PHI 1 3 THR C 1 4 LYS N 1 4 LYS CA 1 4 LYS C -75.00 -45.00 -77.48 -77.48 -77.48 2.48 1 0 "[ ]"
9 CHI1 1 4 LYS N 1 4 LYS CA 1 4 LYS CB 1 4 LYS CG -105.00 -35.00 -92.56 -92.56 -92.56 . . 0 "[ ]"
10 PSI 1 4 LYS N 1 4 LYS CA 1 4 LYS C 1 5 ASP N -60.00 -30.00 -40.68 -40.68 -40.68 . . 0 "[ ]"
11 PHI 1 4 LYS C 1 5 ASP N 1 5 ASP CA 1 5 ASP C -70.00 -45.00 -54.56 -54.56 -54.56 . . 0 "[ ]"
12 CHI1 1 5 ASP N 1 5 ASP CA 1 5 ASP CB 1 5 ASP CG -95.00 -30.00 -83.15 -83.15 -83.15 . . 0 "[ ]"
13 PSI 1 5 ASP N 1 5 ASP CA 1 5 ASP C 1 6 GLN N -70.00 -20.00 -42.79 -42.79 -42.79 . . 0 "[ ]"
14 PHI 1 5 ASP C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -70.00 -45.00 -59.52 -59.52 -59.52 . . 0 "[ ]"
15 CHI1 1 6 GLN N 1 6 GLN CA 1 6 GLN CB 1 6 GLN CG -100.00 100.00 91.14 91.14 91.14 . . 0 "[ ]"
16 PSI 1 6 GLN N 1 6 GLN CA 1 6 GLN C 1 7 ILE N -40.00 -20.00 -30.36 -30.36 -30.36 . . 0 "[ ]"
17 PHI 1 6 GLN C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -85.00 -60.00 -73.29 -73.29 -73.29 . . 0 "[ ]"
18 CHI1 1 7 ILE N 1 7 ILE CA 1 7 ILE CB 1 7 ILE CG1 -85.00 -40.00 -73.35 -73.35 -73.35 . . 0 "[ ]"
19 PSI 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 ILE N -60.00 -30.00 -27.31 -27.31 -27.31 2.69 1 0 "[ ]"
20 PHI 1 7 ILE C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -70.00 -50.00 -67.49 -67.49 -67.49 . . 0 "[ ]"
21 CHI1 1 8 ILE N 1 8 ILE CA 1 8 ILE CB 1 8 ILE CG1 -85.00 -50.00 -54.56 -54.56 -54.56 . . 0 "[ ]"
22 PSI 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 GLU N -50.00 -30.00 -52.56 -52.56 -52.56 2.56 1 0 "[ ]"
23 PHI 1 8 ILE C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -85.00 -60.00 -66.16 -66.16 -66.16 . . 0 "[ ]"
24 CHI1 1 9 GLU N 1 9 GLU CA 1 9 GLU CB 1 9 GLU CG -100.00 100.00 68.93 68.93 68.93 . . 0 "[ ]"
25 PSI 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ALA N -60.00 -10.00 -15.31 -15.31 -15.31 . . 0 "[ ]"
26 PHI 1 9 GLU C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -75.00 -45.00 -73.28 -73.28 -73.28 . . 0 "[ ]"
27 PSI 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 VAL N -50.00 -10.00 -42.31 -42.31 -42.31 . . 0 "[ ]"
28 PHI 1 10 ALA C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -85.00 -55.00 -70.40 -70.40 -70.40 . . 0 "[ ]"
29 CHI1 1 11 VAL N 1 11 VAL CA 1 11 VAL CB 1 11 VAL CG1 145.00 -160.00 161.10 161.10 161.10 . . 0 "[ ]"
30 PSI 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 ALA N -30.00 10.00 -28.33 -28.33 -28.33 . . 0 "[ ]"
31 PHI 1 11 VAL C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -120.00 -65.00 -90.27 -90.27 -90.27 . . 0 "[ ]"
32 PSI 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 ALA N -20.00 30.00 8.06 8.06 8.06 . . 0 "[ ]"
33 PHI 1 12 ALA C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -130.00 -95.00 -108.23 -108.23 -108.23 . . 0 "[ ]"
34 PSI 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 MET N -30.00 40.00 -30.23 -30.23 -30.23 0.23 1 0 "[ ]"
35 PHI 1 13 ALA C 1 14 MET N 1 14 MET CA 1 14 MET C -140.00 -85.00 -98.28 -98.28 -98.28 . . 0 "[ ]"
36 CHI1 1 14 MET N 1 14 MET CA 1 14 MET CB 1 14 MET CG -90.00 -30.00 -55.07 -55.07 -55.07 . . 0 "[ ]"
37 PSI 1 14 MET N 1 14 MET CA 1 14 MET C 1 15 SER N 170.00 -170.00 170.43 170.43 170.43 . . 0 "[ ]"
38 PHI 1 14 MET C 1 15 SER N 1 15 SER CA 1 15 SER C -85.00 -55.00 -79.48 -79.48 -79.48 . . 0 "[ ]"
39 CHI1 1 15 SER N 1 15 SER CA 1 15 SER CB 1 15 SER OG 25.00 95.00 24.65 24.65 24.65 0.35 1 0 "[ ]"
40 PSI 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 VAL N 130.00 180.00 156.43 156.43 156.43 . . 0 "[ ]"
41 PHI 1 15 SER C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -75.00 -50.00 -52.56 -52.56 -52.56 . . 0 "[ ]"
42 CHI1 1 16 VAL N 1 16 VAL CA 1 16 VAL CB 1 16 VAL CG1 170.00 -170.00 177.98 177.98 177.98 . . 0 "[ ]"
43 PSI 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 MET N -50.00 -20.00 -43.70 -43.70 -43.70 . . 0 "[ ]"
44 PHI 1 16 VAL C 1 17 MET N 1 17 MET CA 1 17 MET C -75.00 -40.00 -52.87 -52.87 -52.87 . . 0 "[ ]"
45 CHI1 1 17 MET N 1 17 MET CA 1 17 MET CB 1 17 MET CG -95.00 -50.00 -90.65 -90.65 -90.65 . . 0 "[ ]"
46 PSI 1 17 MET N 1 17 MET CA 1 17 MET C 1 18 ASP N -70.00 -35.00 -46.70 -46.70 -46.70 . . 0 "[ ]"
47 PHI 1 17 MET C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -80.00 -55.00 -62.90 -62.90 -62.90 . . 0 "[ ]"
48 CHI1 1 18 ASP N 1 18 ASP CA 1 18 ASP CB 1 18 ASP CG 155.00 -145.00 -172.78 -172.78 -172.78 . . 0 "[ ]"
49 PSI 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 VAL N -60.00 -20.00 -30.10 -30.10 -30.10 . . 0 "[ ]"
50 PHI 1 18 ASP C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -90.00 -45.00 -77.20 -77.20 -77.20 . . 0 "[ ]"
51 CHI1 1 19 VAL N 1 19 VAL CA 1 19 VAL CB 1 19 VAL CG1 145.00 -170.00 179.99 179.99 179.99 . . 0 "[ ]"
52 PSI 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 VAL N -60.00 -20.00 -36.09 -36.09 -36.09 . . 0 "[ ]"
53 PHI 1 19 VAL C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -80.00 -55.00 -61.98 -61.98 -61.98 . . 0 "[ ]"
54 CHI1 1 20 VAL N 1 20 VAL CA 1 20 VAL CB 1 20 VAL CG1 145.00 -170.00 163.15 163.15 163.15 . . 0 "[ ]"
55 PSI 1 20 VAL N 1 20 VAL CA 1 20 VAL C 1 21 GLU N -60.00 -20.00 -48.06 -48.06 -48.06 . . 0 "[ ]"
56 PHI 1 20 VAL C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -75.00 -55.00 -55.12 -55.12 -55.12 . . 0 "[ ]"
57 CHI1 1 21 GLU N 1 21 GLU CA 1 21 GLU CB 1 21 GLU CG -95.00 -50.00 -78.49 -78.49 -78.49 . . 0 "[ ]"
58 PSI 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 LEU N -80.00 -15.00 -48.27 -48.27 -48.27 . . 0 "[ ]"
59 PHI 1 21 GLU C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -85.00 -55.00 -53.82 -53.82 -53.82 1.18 1 0 "[ ]"
60 CHI1 1 22 LEU N 1 22 LEU CA 1 22 LEU CB 1 22 LEU CG 155.00 -155.00 -177.79 -177.79 -177.79 . . 0 "[ ]"
61 PSI 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 ILE N -70.00 0.00 -67.06 -67.06 -67.06 . . 0 "[ ]"
62 PHI 1 22 LEU C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -75.00 -45.00 -45.72 -45.72 -45.72 . . 0 "[ ]"
63 CHI1 1 23 ILE N 1 23 ILE CA 1 23 ILE CB 1 23 ILE CG1 -85.00 -50.00 -72.42 -72.42 -72.42 . . 0 "[ ]"
64 PSI 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 SER N -60.00 -5.00 -46.61 -46.61 -46.61 . . 0 "[ ]"
65 PHI 1 23 ILE C 1 24 SER N 1 24 SER CA 1 24 SER C -85.00 -55.00 -56.96 -56.96 -56.96 . . 0 "[ ]"
66 CHI1 1 24 SER N 1 24 SER CA 1 24 SER CB 1 24 SER OG -100.00 100.00 -86.96 -86.96 -86.96 . . 0 "[ ]"
67 PSI 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 ALA N -80.00 -20.00 -39.32 -39.32 -39.32 . . 0 "[ ]"
68 PHI 1 24 SER C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -85.00 -55.00 -61.92 -61.92 -61.92 . . 0 "[ ]"
69 PSI 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 MET N -70.00 -20.00 -62.85 -62.85 -62.85 . . 0 "[ ]"
70 PHI 1 25 ALA C 1 26 MET N 1 26 MET CA 1 26 MET C -70.00 -45.00 -49.68 -49.68 -49.68 . . 0 "[ ]"
71 CHI1 1 26 MET N 1 26 MET CA 1 26 MET CB 1 26 MET CG -115.00 -50.00 -69.68 -69.68 -69.68 . . 0 "[ ]"
72 PSI 1 26 MET N 1 26 MET CA 1 26 MET C 1 27 GLU N -70.00 -10.00 -39.20 -39.20 -39.20 . . 0 "[ ]"
73 PHI 1 26 MET C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -70.00 -45.00 -47.41 -47.41 -47.41 . . 0 "[ ]"
74 CHI1 1 27 GLU N 1 27 GLU CA 1 27 GLU CB 1 27 GLU CG -95.00 -50.00 -94.58 -94.58 -94.58 . . 0 "[ ]"
75 PSI 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 GLU N -80.00 -45.00 -43.47 -43.47 -43.47 1.53 1 0 "[ ]"
76 PHI 1 27 GLU C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -85.00 -55.00 -78.20 -78.20 -78.20 . . 0 "[ ]"
77 CHI1 1 28 GLU N 1 28 GLU CA 1 28 GLU CB 1 28 GLU CG 155.00 -155.00 -179.02 -179.02 -179.02 . . 0 "[ ]"
78 PSI 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 LYS N -70.00 -25.00 -47.22 -47.22 -47.22 . . 0 "[ ]"
79 PHI 1 28 GLU C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -65.00 -35.00 -55.78 -55.78 -55.78 . . 0 "[ ]"
80 CHI1 1 29 LYS N 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG 150.00 175.00 176.81 176.81 176.81 1.81 1 0 "[ ]"
81 PSI 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 PHE N -80.00 -30.00 -65.45 -65.45 -65.45 . . 0 "[ ]"
82 PHI 1 29 LYS C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -100.00 -75.00 -75.90 -75.90 -75.90 . . 0 "[ ]"
83 CHI1 1 30 PHE N 1 30 PHE CA 1 30 PHE CB 1 30 PHE CG -95.00 -50.00 -70.48 -70.48 -70.48 . . 0 "[ ]"
84 PSI 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 GLY N -60.00 20.00 -5.84 -5.84 -5.84 . . 0 "[ ]"
85 PHI 1 30 PHE C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 30.00 110.00 92.59 92.59 92.59 . . 0 "[ ]"
86 PSI 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 VAL N 10.00 90.00 142.89 142.89 142.89 52.89 1 1 [+]
87 PHI 1 31 GLY C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -165.00 -75.00 -70.99 -70.99 -70.99 4.01 1 0 "[ ]"
88 CHI1 1 32 VAL N 1 32 VAL CA 1 32 VAL CB 1 32 VAL CG1 50.00 -65.00 -61.70 -61.70 -61.70 3.30 1 0 "[ ]"
89 PSI 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 SER N 25.00 105.00 -19.38 -19.38 -19.38 44.38 1 1 [+]
90 PHI 1 32 VAL C 1 33 SER N 1 33 SER CA 1 33 SER C -165.00 -75.00 -75.47 -75.47 -75.47 . . 0 "[ ]"
91 PSI 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 ALA N 40.00 -170.00 -45.84 -45.84 -45.84 85.84 1 1 [+]
92 PHI 1 33 SER C 1 34 ALA N 1 34 ALA CA 1 34 ALA C 30.00 -80.00 -82.19 -82.19 -82.19 . . 0 "[ ]"
93 PSI 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 ALA N 30.00 100.00 -30.10 -30.10 -30.10 60.10 1 1 [+]
94 PHI 1 34 ALA C 1 35 ALA N 1 35 ALA CA 1 35 ALA C 40.00 -90.00 -90.73 -90.73 -90.73 . . 0 "[ ]"
95 PSI 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 ALA N 50.00 110.00 -15.49 -15.49 -15.49 65.49 1 1 [+]
96 PHI 1 35 ALA C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -175.00 80.00 -41.96 -41.96 -41.96 . . 0 "[ ]"
97 PSI 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 ALA N 50.00 -170.00 -45.77 -45.77 -45.77 95.77 1 1 [+]
98 PHI 1 36 ALA C 1 37 ALA N 1 37 ALA CA 1 37 ALA C 30.00 -55.00 -62.80 -62.80 -62.80 . . 0 "[ ]"
99 CHI1 2 1 SER N 2 1 SER CA 2 1 SER CB 2 1 SER OG 160.00 70.00 -66.29 -66.29 -66.29 . . 0 "[ ]"
100 PSI 2 1 SER N 2 1 SER CA 2 1 SER C 2 2 ILE N 70.00 100.00 73.07 73.07 73.07 . . 0 "[ ]"
101 PHI 2 1 SER C 2 2 ILE N 2 2 ILE CA 2 2 ILE C -130.00 -95.00 -116.57 -116.57 -116.57 . . 0 "[ ]"
102 PSI 2 2 ILE N 2 2 ILE CA 2 2 ILE C 2 3 THR N 50.00 80.00 63.89 63.89 63.89 . . 0 "[ ]"
103 PHI 2 2 ILE C 2 3 THR N 2 3 THR CA 2 3 THR C -110.00 -75.00 -85.99 -85.99 -85.99 . . 0 "[ ]"
104 CHI1 2 3 THR N 2 3 THR CA 2 3 THR CB 2 3 THR OG1 40.00 80.00 55.57 55.57 55.57 . . 0 "[ ]"
105 PSI 2 3 THR N 2 3 THR CA 2 3 THR C 2 4 LYS N 150.00 -170.00 159.82 159.82 159.82 . . 0 "[ ]"
106 PHI 2 3 THR C 2 4 LYS N 2 4 LYS CA 2 4 LYS C -75.00 -45.00 -54.59 -54.59 -54.59 . . 0 "[ ]"
107 CHI1 2 4 LYS N 2 4 LYS CA 2 4 LYS CB 2 4 LYS CG -105.00 -35.00 -83.99 -83.99 -83.99 . . 0 "[ ]"
108 PSI 2 4 LYS N 2 4 LYS CA 2 4 LYS C 2 5 ASP N -60.00 -30.00 -46.94 -46.94 -46.94 . . 0 "[ ]"
109 PHI 2 4 LYS C 2 5 ASP N 2 5 ASP CA 2 5 ASP C -70.00 -45.00 -61.83 -61.83 -61.83 . . 0 "[ ]"
110 CHI1 2 5 ASP N 2 5 ASP CA 2 5 ASP CB 2 5 ASP CG -95.00 -30.00 -80.72 -80.72 -80.72 . . 0 "[ ]"
111 PSI 2 5 ASP N 2 5 ASP CA 2 5 ASP C 2 6 GLN N -70.00 -20.00 -48.81 -48.81 -48.81 . . 0 "[ ]"
112 PHI 2 5 ASP C 2 6 GLN N 2 6 GLN CA 2 6 GLN C -70.00 -45.00 -53.39 -53.39 -53.39 . . 0 "[ ]"
113 CHI1 2 6 GLN N 2 6 GLN CA 2 6 GLN CB 2 6 GLN CG -100.00 100.00 -92.06 -92.06 -92.06 . . 0 "[ ]"
114 PSI 2 6 GLN N 2 6 GLN CA 2 6 GLN C 2 7 ILE N -40.00 -20.00 -28.97 -28.97 -28.97 . . 0 "[ ]"
115 PHI 2 6 GLN C 2 7 ILE N 2 7 ILE CA 2 7 ILE C -85.00 -60.00 -75.08 -75.08 -75.08 . . 0 "[ ]"
116 CHI1 2 7 ILE N 2 7 ILE CA 2 7 ILE CB 2 7 ILE CG1 -85.00 -40.00 -70.34 -70.34 -70.34 . . 0 "[ ]"
117 PSI 2 7 ILE N 2 7 ILE CA 2 7 ILE C 2 8 ILE N -60.00 -30.00 -34.70 -34.70 -34.70 . . 0 "[ ]"
118 PHI 2 7 ILE C 2 8 ILE N 2 8 ILE CA 2 8 ILE C -70.00 -50.00 -57.93 -57.93 -57.93 . . 0 "[ ]"
119 CHI1 2 8 ILE N 2 8 ILE CA 2 8 ILE CB 2 8 ILE CG1 -85.00 -50.00 -58.08 -58.08 -58.08 . . 0 "[ ]"
120 PSI 2 8 ILE N 2 8 ILE CA 2 8 ILE C 2 9 GLU N -50.00 -30.00 -52.40 -52.40 -52.40 2.40 1 0 "[ ]"
121 PHI 2 8 ILE C 2 9 GLU N 2 9 GLU CA 2 9 GLU C -85.00 -60.00 -68.38 -68.38 -68.38 . . 0 "[ ]"
122 CHI1 2 9 GLU N 2 9 GLU CA 2 9 GLU CB 2 9 GLU CG -100.00 100.00 -59.95 -59.95 -59.95 . . 0 "[ ]"
123 PSI 2 9 GLU N 2 9 GLU CA 2 9 GLU C 2 10 ALA N -60.00 -10.00 -15.11 -15.11 -15.11 . . 0 "[ ]"
124 PHI 2 9 GLU C 2 10 ALA N 2 10 ALA CA 2 10 ALA C -75.00 -45.00 -76.99 -76.99 -76.99 1.99 1 0 "[ ]"
125 PSI 2 10 ALA N 2 10 ALA CA 2 10 ALA C 2 11 VAL N -50.00 -10.00 -38.85 -38.85 -38.85 . . 0 "[ ]"
126 PHI 2 10 ALA C 2 11 VAL N 2 11 VAL CA 2 11 VAL C -85.00 -55.00 -70.45 -70.45 -70.45 . . 0 "[ ]"
127 CHI1 2 11 VAL N 2 11 VAL CA 2 11 VAL CB 2 11 VAL CG1 145.00 -160.00 167.81 167.81 167.81 . . 0 "[ ]"
128 PSI 2 11 VAL N 2 11 VAL CA 2 11 VAL C 2 12 ALA N -30.00 10.00 -29.41 -29.41 -29.41 . . 0 "[ ]"
129 PHI 2 11 VAL C 2 12 ALA N 2 12 ALA CA 2 12 ALA C -120.00 -65.00 -88.82 -88.82 -88.82 . . 0 "[ ]"
130 PSI 2 12 ALA N 2 12 ALA CA 2 12 ALA C 2 13 ALA N -20.00 30.00 9.51 9.51 9.51 . . 0 "[ ]"
131 PHI 2 12 ALA C 2 13 ALA N 2 13 ALA CA 2 13 ALA C -130.00 -95.00 -99.93 -99.93 -99.93 . . 0 "[ ]"
132 PSI 2 13 ALA N 2 13 ALA CA 2 13 ALA C 2 14 MET N -30.00 40.00 -28.77 -28.77 -28.77 . . 0 "[ ]"
133 PHI 2 13 ALA C 2 14 MET N 2 14 MET CA 2 14 MET C -140.00 -85.00 -104.23 -104.23 -104.23 . . 0 "[ ]"
134 CHI1 2 14 MET N 2 14 MET CA 2 14 MET CB 2 14 MET CG -90.00 -30.00 -56.54 -56.54 -56.54 . . 0 "[ ]"
135 PSI 2 14 MET N 2 14 MET CA 2 14 MET C 2 15 SER N 170.00 -170.00 170.65 170.65 170.65 . . 0 "[ ]"
136 PHI 2 14 MET C 2 15 SER N 2 15 SER CA 2 15 SER C -85.00 -55.00 -76.68 -76.68 -76.68 . . 0 "[ ]"
137 CHI1 2 15 SER N 2 15 SER CA 2 15 SER CB 2 15 SER OG 25.00 95.00 24.35 24.35 24.35 0.65 1 0 "[ ]"
138 PSI 2 15 SER N 2 15 SER CA 2 15 SER C 2 16 VAL N 130.00 180.00 166.27 166.27 166.27 . . 0 "[ ]"
139 PHI 2 15 SER C 2 16 VAL N 2 16 VAL CA 2 16 VAL C -75.00 -50.00 -60.57 -60.57 -60.57 . . 0 "[ ]"
140 CHI1 2 16 VAL N 2 16 VAL CA 2 16 VAL CB 2 16 VAL CG1 170.00 -170.00 171.99 171.99 171.99 . . 0 "[ ]"
141 PSI 2 16 VAL N 2 16 VAL CA 2 16 VAL C 2 17 MET N -50.00 -20.00 -45.35 -45.35 -45.35 . . 0 "[ ]"
142 PHI 2 16 VAL C 2 17 MET N 2 17 MET CA 2 17 MET C -75.00 -40.00 -58.02 -58.02 -58.02 . . 0 "[ ]"
143 CHI1 2 17 MET N 2 17 MET CA 2 17 MET CB 2 17 MET CG -95.00 -50.00 -91.19 -91.19 -91.19 . . 0 "[ ]"
144 PSI 2 17 MET N 2 17 MET CA 2 17 MET C 2 18 ASP N -70.00 -35.00 -45.42 -45.42 -45.42 . . 0 "[ ]"
145 PHI 2 17 MET C 2 18 ASP N 2 18 ASP CA 2 18 ASP C -80.00 -55.00 -62.55 -62.55 -62.55 . . 0 "[ ]"
146 CHI1 2 18 ASP N 2 18 ASP CA 2 18 ASP CB 2 18 ASP CG 155.00 -145.00 -143.61 -143.61 -143.61 1.39 1 0 "[ ]"
147 PSI 2 18 ASP N 2 18 ASP CA 2 18 ASP C 2 19 VAL N -60.00 -20.00 -27.61 -27.61 -27.61 . . 0 "[ ]"
148 PHI 2 18 ASP C 2 19 VAL N 2 19 VAL CA 2 19 VAL C -90.00 -45.00 -76.49 -76.49 -76.49 . . 0 "[ ]"
149 CHI1 2 19 VAL N 2 19 VAL CA 2 19 VAL CB 2 19 VAL CG1 145.00 -170.00 163.71 163.71 163.71 . . 0 "[ ]"
150 PSI 2 19 VAL N 2 19 VAL CA 2 19 VAL C 2 20 VAL N -60.00 -20.00 -40.74 -40.74 -40.74 . . 0 "[ ]"
151 PHI 2 19 VAL C 2 20 VAL N 2 20 VAL CA 2 20 VAL C -80.00 -55.00 -53.21 -53.21 -53.21 1.79 1 0 "[ ]"
152 CHI1 2 20 VAL N 2 20 VAL CA 2 20 VAL CB 2 20 VAL CG1 145.00 -170.00 161.27 161.27 161.27 . . 0 "[ ]"
153 PSI 2 20 VAL N 2 20 VAL CA 2 20 VAL C 2 21 GLU N -60.00 -20.00 -41.39 -41.39 -41.39 . . 0 "[ ]"
154 PHI 2 20 VAL C 2 21 GLU N 2 21 GLU CA 2 21 GLU C -75.00 -55.00 -63.40 -63.40 -63.40 . . 0 "[ ]"
155 CHI1 2 21 GLU N 2 21 GLU CA 2 21 GLU CB 2 21 GLU CG -95.00 -50.00 -76.94 -76.94 -76.94 . . 0 "[ ]"
156 PSI 2 21 GLU N 2 21 GLU CA 2 21 GLU C 2 22 LEU N -80.00 -15.00 -43.07 -43.07 -43.07 . . 0 "[ ]"
157 PHI 2 21 GLU C 2 22 LEU N 2 22 LEU CA 2 22 LEU C -85.00 -55.00 -53.35 -53.35 -53.35 1.65 1 0 "[ ]"
158 CHI1 2 22 LEU N 2 22 LEU CA 2 22 LEU CB 2 22 LEU CG 155.00 -155.00 -165.56 -165.56 -165.56 . . 0 "[ ]"
159 PSI 2 22 LEU N 2 22 LEU CA 2 22 LEU C 2 23 ILE N -70.00 0.00 -66.02 -66.02 -66.02 . . 0 "[ ]"
160 PHI 2 22 LEU C 2 23 ILE N 2 23 ILE CA 2 23 ILE C -75.00 -45.00 -50.17 -50.17 -50.17 . . 0 "[ ]"
161 CHI1 2 23 ILE N 2 23 ILE CA 2 23 ILE CB 2 23 ILE CG1 -85.00 -50.00 -81.45 -81.45 -81.45 . . 0 "[ ]"
162 PSI 2 23 ILE N 2 23 ILE CA 2 23 ILE C 2 24 SER N -60.00 -5.00 -41.17 -41.17 -41.17 . . 0 "[ ]"
163 PHI 2 23 ILE C 2 24 SER N 2 24 SER CA 2 24 SER C -85.00 -55.00 -63.34 -63.34 -63.34 . . 0 "[ ]"
164 CHI1 2 24 SER N 2 24 SER CA 2 24 SER CB 2 24 SER OG -100.00 100.00 -86.29 -86.29 -86.29 . . 0 "[ ]"
165 PSI 2 24 SER N 2 24 SER CA 2 24 SER C 2 25 ALA N -80.00 -20.00 -40.31 -40.31 -40.31 . . 0 "[ ]"
166 PHI 2 24 SER C 2 25 ALA N 2 25 ALA CA 2 25 ALA C -85.00 -55.00 -54.70 -54.70 -54.70 0.30 1 0 "[ ]"
167 PSI 2 25 ALA N 2 25 ALA CA 2 25 ALA C 2 26 MET N -70.00 -20.00 -53.62 -53.62 -53.62 . . 0 "[ ]"
168 PHI 2 25 ALA C 2 26 MET N 2 26 MET CA 2 26 MET C -70.00 -45.00 -52.28 -52.28 -52.28 . . 0 "[ ]"
169 CHI1 2 26 MET N 2 26 MET CA 2 26 MET CB 2 26 MET CG -115.00 -50.00 -73.90 -73.90 -73.90 . . 0 "[ ]"
170 PSI 2 26 MET N 2 26 MET CA 2 26 MET C 2 27 GLU N -70.00 -10.00 -48.51 -48.51 -48.51 . . 0 "[ ]"
171 PHI 2 26 MET C 2 27 GLU N 2 27 GLU CA 2 27 GLU C -70.00 -45.00 -45.74 -45.74 -45.74 . . 0 "[ ]"
172 CHI1 2 27 GLU N 2 27 GLU CA 2 27 GLU CB 2 27 GLU CG -95.00 -50.00 -85.83 -85.83 -85.83 . . 0 "[ ]"
173 PSI 2 27 GLU N 2 27 GLU CA 2 27 GLU C 2 28 GLU N -80.00 -45.00 -47.37 -47.37 -47.37 . . 0 "[ ]"
174 PHI 2 27 GLU C 2 28 GLU N 2 28 GLU CA 2 28 GLU C -85.00 -55.00 -76.01 -76.01 -76.01 . . 0 "[ ]"
175 CHI1 2 28 GLU N 2 28 GLU CA 2 28 GLU CB 2 28 GLU CG 165.00 -50.00 -162.88 -162.88 -162.88 . . 0 "[ ]"
176 PSI 2 28 GLU N 2 28 GLU CA 2 28 GLU C 2 29 LYS N -70.00 -25.00 -47.77 -47.77 -47.77 . . 0 "[ ]"
177 PHI 2 28 GLU C 2 29 LYS N 2 29 LYS CA 2 29 LYS C -65.00 -35.00 -50.94 -50.94 -50.94 . . 0 "[ ]"
178 CHI1 2 29 LYS N 2 29 LYS CA 2 29 LYS CB 2 29 LYS CG 150.00 175.00 175.72 175.72 175.72 0.72 1 0 "[ ]"
179 PSI 2 29 LYS N 2 29 LYS CA 2 29 LYS C 2 30 PHE N -80.00 -30.00 -66.51 -66.51 -66.51 . . 0 "[ ]"
180 PHI 2 29 LYS C 2 30 PHE N 2 30 PHE CA 2 30 PHE C -100.00 -75.00 -72.11 -72.11 -72.11 2.89 1 0 "[ ]"
181 CHI1 2 30 PHE N 2 30 PHE CA 2 30 PHE CB 2 30 PHE CG -95.00 -50.00 -64.66 -64.66 -64.66 . . 0 "[ ]"
182 PSI 2 30 PHE N 2 30 PHE CA 2 30 PHE C 2 31 GLY N -60.00 20.00 -3.50 -3.50 -3.50 . . 0 "[ ]"
183 PHI 2 30 PHE C 2 31 GLY N 2 31 GLY CA 2 31 GLY C 30.00 110.00 45.01 45.01 45.01 . . 0 "[ ]"
184 PSI 2 31 GLY N 2 31 GLY CA 2 31 GLY C 2 32 VAL N 10.00 90.00 50.12 50.12 50.12 . . 0 "[ ]"
185 PHI 2 31 GLY C 2 32 VAL N 2 32 VAL CA 2 32 VAL C -165.00 -75.00 -97.11 -97.11 -97.11 . . 0 "[ ]"
186 CHI1 2 32 VAL N 2 32 VAL CA 2 32 VAL CB 2 32 VAL CG1 50.00 -65.00 59.76 59.76 59.76 . . 0 "[ ]"
187 PSI 2 32 VAL N 2 32 VAL CA 2 32 VAL C 2 33 SER N 25.00 105.00 43.20 43.20 43.20 . . 0 "[ ]"
188 PHI 2 32 VAL C 2 33 SER N 2 33 SER CA 2 33 SER C -165.00 -75.00 -146.47 -146.47 -146.47 . . 0 "[ ]"
189 PSI 2 33 SER N 2 33 SER CA 2 33 SER C 2 34 ALA N 40.00 -170.00 63.58 63.58 63.58 . . 0 "[ ]"
190 PHI 2 33 SER C 2 34 ALA N 2 34 ALA CA 2 34 ALA C 30.00 -80.00 175.14 175.14 175.14 . . 0 "[ ]"
191 PSI 2 34 ALA N 2 34 ALA CA 2 34 ALA C 2 35 ALA N 30.00 100.00 80.32 80.32 80.32 . . 0 "[ ]"
192 PHI 2 34 ALA C 2 35 ALA N 2 35 ALA CA 2 35 ALA C 40.00 -90.00 -137.35 -137.35 -137.35 . . 0 "[ ]"
193 PSI 2 35 ALA N 2 35 ALA CA 2 35 ALA C 2 36 ALA N 50.00 110.00 -73.28 -73.28 -73.28 123.28 1 1 [+]
194 PHI 2 35 ALA C 2 36 ALA N 2 36 ALA CA 2 36 ALA C -175.00 80.00 -140.00 -140.00 -140.00 . . 0 "[ ]"
195 PSI 2 36 ALA N 2 36 ALA CA 2 36 ALA C 2 37 ALA N 50.00 -170.00 -74.16 -74.16 -74.16 95.84 1 1 [+]
196 PHI 2 36 ALA C 2 37 ALA N 2 37 ALA CA 2 37 ALA C 30.00 -55.00 55.21 55.21 55.21 . . 0 "[ ]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 196
_TA_constraint_stats_list.Viol_count 11
_TA_constraint_stats_list.Viol_total 549.36
_TA_constraint_stats_list.Viol_max 143.37
_TA_constraint_stats_list.Viol_rms 17.22
_TA_constraint_stats_list.Viol_average_all_restraints 2.80
_TA_constraint_stats_list.Viol_average_violations_only 49.94
_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 46 GLU C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -55.00 180.00 -65.16 -65.16 -65.16 10.16 1 1 [+]
2 PSI 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 ALA N 60.00 -170.00 -38.25 -38.25 -38.25 98.25 1 1 [+]
3 PHI 1 47 ALA C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -180.00 70.00 -55.48 -55.48 -55.48 . . 0 "[ ]"
4 PSI 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 GLU N 50.00 110.00 -35.63 -35.63 -35.63 85.63 1 1 [+]
5 PHI 1 48 ALA C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -160.00 -65.00 -68.68 -68.68 -68.68 . . 0 "[ ]"
6 CHI1 1 49 GLU N 1 49 GLU CA 1 49 GLU CB 1 49 GLU CG -115.00 -60.00 -71.95 -71.95 -71.95 . . 0 "[ ]"
7 PSI 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 GLU N 120.00 170.00 -23.37 -23.37 -23.37 143.37 1 1 [+]
8 PHI 1 49 GLU C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -150.00 -85.00 -89.71 -89.71 -89.71 . . 0 "[ ]"
9 CHI1 1 50 GLU N 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG -115.00 -80.00 -77.91 -77.91 -77.91 2.09 1 0 "[ ]"
10 PSI 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 LYS N 60.00 170.00 -5.86 -5.86 -5.86 65.86 1 1 [+]
11 PHI 1 50 GLU C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -165.00 -75.00 56.16 56.16 56.16 131.16 1 1 [+]
12 CHI1 1 51 LYS N 1 51 LYS CA 1 51 LYS CB 1 51 LYS CG 40.00 -60.00 -94.11 -94.11 -94.11 . . 0 "[ ]"
13 PSI 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 THR N 40.00 180.00 46.38 46.38 46.38 . . 0 "[ ]"
14 PHI 1 51 LYS C 1 52 THR N 1 52 THR CA 1 52 THR C -145.00 -85.00 -127.25 -127.25 -127.25 . . 0 "[ ]"
15 CHI1 1 52 THR N 1 52 THR CA 1 52 THR CB 1 52 THR OG1 40.00 80.00 48.71 48.71 48.71 . . 0 "[ ]"
16 PSI 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 GLU N -30.00 45.00 39.90 39.90 39.90 . . 0 "[ ]"
17 PHI 1 52 THR C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -155.00 -85.00 -119.80 -119.80 -119.80 . . 0 "[ ]"
18 CHI1 1 53 GLU N 1 53 GLU CA 1 53 GLU CB 1 53 GLU CG -95.00 -30.00 -68.33 -68.33 -68.33 . . 0 "[ ]"
19 PSI 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 PHE N 80.00 170.00 80.98 80.98 80.98 . . 0 "[ ]"
20 PHI 1 53 GLU C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -145.00 -100.00 -103.90 -103.90 -103.90 . . 0 "[ ]"
21 CHI1 1 54 PHE N 1 54 PHE CA 1 54 PHE CB 1 54 PHE CG -90.00 -30.00 -76.70 -76.70 -76.70 . . 0 "[ ]"
22 PSI 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 ASP N 130.00 -170.00 142.76 142.76 142.76 . . 0 "[ ]"
23 PHI 1 54 PHE C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -150.00 -95.00 -109.98 -109.98 -109.98 . . 0 "[ ]"
24 CHI1 1 55 ASP N 1 55 ASP CA 1 55 ASP CB 1 55 ASP CG -95.00 30.00 -62.30 -62.30 -62.30 . . 0 "[ ]"
25 PSI 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 VAL N 80.00 170.00 128.26 128.26 128.26 . . 0 "[ ]"
26 PHI 1 55 ASP C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -130.00 -90.00 -107.95 -107.95 -107.95 . . 0 "[ ]"
27 CHI1 1 56 VAL N 1 56 VAL CA 1 56 VAL CB 1 56 VAL CG1 110.00 -160.00 -178.45 -178.45 -178.45 . . 0 "[ ]"
28 PSI 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 ILE N 90.00 140.00 111.14 111.14 111.14 . . 0 "[ ]"
29 PHI 1 56 VAL C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -145.00 -90.00 -107.90 -107.90 -107.90 . . 0 "[ ]"
30 CHI1 1 57 ILE N 1 57 ILE CA 1 57 ILE CB 1 57 ILE CG1 -90.00 -30.00 -69.81 -69.81 -69.81 . . 0 "[ ]"
31 PSI 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 LEU N 110.00 150.00 148.14 148.14 148.14 . . 0 "[ ]"
32 PHI 1 57 ILE C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -120.00 -75.00 -105.50 -105.50 -105.50 . . 0 "[ ]"
33 CHI1 1 58 LEU N 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG 120.00 -175.00 164.73 164.73 164.73 . . 0 "[ ]"
34 PSI 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 LYS N 100.00 160.00 118.82 118.82 118.82 . . 0 "[ ]"
35 PHI 1 58 LEU C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -120.00 -80.00 -92.97 -92.97 -92.97 . . 0 "[ ]"
36 CHI1 1 59 LYS N 1 59 LYS CA 1 59 LYS CB 1 59 LYS CG -95.00 -60.00 -64.92 -64.92 -64.92 . . 0 "[ ]"
37 PSI 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 ALA N -70.00 -45.00 -58.40 -58.40 -58.40 . . 0 "[ ]"
38 PHI 1 59 LYS C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -165.00 -125.00 -134.73 -134.73 -134.73 . . 0 "[ ]"
39 PSI 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 ALA N 60.00 160.00 128.60 128.60 128.60 . . 0 "[ ]"
40 PHI 1 60 ALA C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -95.00 -65.00 -68.28 -68.28 -68.28 . . 0 "[ ]"
41 PSI 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 GLY N -80.00 15.00 -25.03 -25.03 -25.03 . . 0 "[ ]"
42 PHI 1 61 ALA C 1 62 GLY N 1 62 GLY CA 1 62 GLY C 35.00 85.00 78.68 78.68 78.68 . . 0 "[ ]"
43 PSI 1 62 GLY N 1 62 GLY CA 1 62 GLY C 1 63 ALA N 5.00 -125.00 -155.79 -155.79 -155.79 . . 0 "[ ]"
44 PHI 1 62 GLY C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -105.00 -65.00 -92.16 -92.16 -92.16 . . 0 "[ ]"
45 PSI 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 ASN N -40.00 70.00 39.03 39.03 39.03 . . 0 "[ ]"
46 PHI 1 63 ALA C 1 64 ASN N 1 64 ASN CA 1 64 ASN C -155.00 -105.00 -154.42 -154.42 -154.42 . . 0 "[ ]"
47 CHI1 1 64 ASN N 1 64 ASN CA 1 64 ASN CB 1 64 ASN CG 170.00 -145.00 -152.17 -152.17 -152.17 . . 0 "[ ]"
48 PSI 1 64 ASN N 1 64 ASN CA 1 64 ASN C 1 65 LYS N 45.00 75.00 56.40 56.40 56.40 . . 0 "[ ]"
49 PHI 1 64 ASN C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -65.00 -35.00 -62.34 -62.34 -62.34 . . 0 "[ ]"
50 CHI1 1 65 LYS N 1 65 LYS CA 1 65 LYS CB 1 65 LYS CG -175.00 -135.00 -140.01 -140.01 -140.01 . . 0 "[ ]"
51 PSI 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 VAL N -80.00 -25.00 -26.88 -26.88 -26.88 . . 0 "[ ]"
52 PHI 1 65 LYS C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -65.00 -35.00 -64.43 -64.43 -64.43 . . 0 "[ ]"
53 CHI1 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 160.00 -175.00 168.86 168.86 168.86 . . 0 "[ ]"
54 PSI 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 ALA N -85.00 -30.00 -62.05 -62.05 -62.05 . . 0 "[ ]"
55 PHI 1 66 VAL C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -75.00 -55.00 -56.36 -56.36 -56.36 . . 0 "[ ]"
56 PSI 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 VAL N -70.00 10.00 -40.40 -40.40 -40.40 . . 0 "[ ]"
57 PHI 1 67 ALA C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -85.00 -45.00 -57.12 -57.12 -57.12 . . 0 "[ ]"
58 CHI1 1 68 VAL N 1 68 VAL CA 1 68 VAL CB 1 68 VAL CG1 145.00 -160.00 166.00 166.00 166.00 . . 0 "[ ]"
59 PSI 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 ILE N -80.00 -30.00 -58.47 -58.47 -58.47 . . 0 "[ ]"
60 PHI 1 68 VAL C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -75.00 -45.00 -48.50 -48.50 -48.50 . . 0 "[ ]"
61 CHI1 1 69 ILE N 1 69 ILE CA 1 69 ILE CB 1 69 ILE CG1 -85.00 -50.00 -75.19 -75.19 -75.19 . . 0 "[ ]"
62 PSI 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 LYS N -80.00 -30.00 -37.86 -37.86 -37.86 . . 0 "[ ]"
63 PHI 1 69 ILE C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -65.00 -35.00 -64.71 -64.71 -64.71 . . 0 "[ ]"
64 CHI1 1 70 LYS N 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG -95.00 95.00 -74.98 -74.98 -74.98 . . 0 "[ ]"
65 PSI 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 ALA N -70.00 -5.00 -51.85 -51.85 -51.85 . . 0 "[ ]"
66 PHI 1 70 LYS C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -75.00 -55.00 -55.80 -55.80 -55.80 . . 0 "[ ]"
67 PSI 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 VAL N -90.00 -20.00 -42.27 -42.27 -42.27 . . 0 "[ ]"
68 PHI 1 71 ALA C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -75.00 -45.00 -58.97 -58.97 -58.97 . . 0 "[ ]"
69 CHI1 1 72 VAL N 1 72 VAL CA 1 72 VAL CB 1 72 VAL CG1 145.00 -160.00 174.43 174.43 174.43 . . 0 "[ ]"
70 PSI 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 ARG N -80.00 -30.00 -77.67 -77.67 -77.67 . . 0 "[ ]"
71 PHI 1 72 VAL C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -65.00 -35.00 -49.65 -49.65 -49.65 . . 0 "[ ]"
72 CHI1 1 73 ARG N 1 73 ARG CA 1 73 ARG CB 1 73 ARG CG 40.00 -50.00 60.86 60.86 60.86 . . 0 "[ ]"
73 PSI 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 GLY N -70.00 40.00 -28.57 -28.57 -28.57 . . 0 "[ ]"
74 PHI 1 73 ARG C 1 74 GLY N 1 74 GLY CA 1 74 GLY C -150.00 -55.00 -72.00 -72.00 -72.00 . . 0 "[ ]"
75 PSI 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1 75 ALA N -60.00 0.00 -34.20 -34.20 -34.20 . . 0 "[ ]"
76 PHI 1 74 GLY C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -95.00 -65.00 -85.85 -85.85 -85.85 . . 0 "[ ]"
77 PSI 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 THR N -80.00 -10.00 -22.42 -22.42 -22.42 . . 0 "[ ]"
78 PHI 1 75 ALA C 1 76 THR N 1 76 THR CA 1 76 THR C -140.00 -95.00 -116.21 -116.21 -116.21 . . 0 "[ ]"
79 CHI1 1 76 THR N 1 76 THR CA 1 76 THR CB 1 76 THR OG1 40.00 90.00 60.11 60.11 60.11 . . 0 "[ ]"
80 PSI 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 GLY N -85.00 -10.00 -75.32 -75.32 -75.32 . . 0 "[ ]"
81 PHI 1 76 THR C 1 77 GLY N 1 77 GLY CA 1 77 GLY C 70.00 -170.00 122.16 122.16 122.16 . . 0 "[ ]"
82 PSI 1 77 GLY N 1 77 GLY CA 1 77 GLY C 1 78 LEU N -40.00 40.00 17.41 17.41 17.41 . . 0 "[ ]"
83 PHI 1 77 GLY C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -65.00 -25.00 -70.73 -70.73 -70.73 5.73 1 1 [+]
84 CHI1 1 78 LEU N 1 78 LEU CA 1 78 LEU CB 1 78 LEU CG -100.00 -60.00 -66.77 -66.77 -66.77 . . 0 "[ ]"
85 PSI 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 GLY N 120.00 -175.00 154.24 154.24 154.24 . . 0 "[ ]"
86 PHI 1 78 LEU C 1 79 GLY N 1 79 GLY CA 1 79 GLY C -170.00 -55.00 -53.76 -53.76 -53.76 1.24 1 0 "[ ]"
87 PSI 1 79 GLY N 1 79 GLY CA 1 79 GLY C 1 80 LEU N 135.00 -160.00 145.81 145.81 145.81 . . 0 "[ ]"
88 PHI 1 79 GLY C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -65.00 -25.00 -41.65 -41.65 -41.65 . . 0 "[ ]"
89 CHI1 1 80 LEU N 1 80 LEU CA 1 80 LEU CB 1 80 LEU CG 175.00 -130.00 -154.52 -154.52 -154.52 . . 0 "[ ]"
90 PSI 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 LYS N -90.00 -35.00 -48.31 -48.31 -48.31 . . 0 "[ ]"
91 PHI 1 80 LEU C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -65.00 -40.00 -58.91 -58.91 -58.91 . . 0 "[ ]"
92 CHI1 1 81 LYS N 1 81 LYS CA 1 81 LYS CB 1 81 LYS CG 150.00 -165.00 -174.24 -174.24 -174.24 . . 0 "[ ]"
93 PSI 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 GLU N -75.00 -30.00 -64.23 -64.23 -64.23 . . 0 "[ ]"
94 PHI 1 81 LYS C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -65.00 -25.00 -41.53 -41.53 -41.53 . . 0 "[ ]"
95 CHI1 1 82 GLU N 1 82 GLU CA 1 82 GLU CB 1 82 GLU CG -95.00 -50.00 -77.12 -77.12 -77.12 . . 0 "[ ]"
96 PSI 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 ALA N -70.00 -15.00 -47.64 -47.64 -47.64 . . 0 "[ ]"
97 PHI 1 82 GLU C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -75.00 -55.00 -61.15 -61.15 -61.15 . . 0 "[ ]"
98 PSI 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 LYS N -80.00 -20.00 -45.67 -45.67 -45.67 . . 0 "[ ]"
99 PHI 1 83 ALA C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -65.00 -35.00 -55.99 -55.99 -55.99 . . 0 "[ ]"
100 CHI1 1 84 LYS N 1 84 LYS CA 1 84 LYS CB 1 84 LYS CG 160.00 -165.00 176.45 176.45 176.45 . . 0 "[ ]"
101 PSI 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 ASP N -70.00 -35.00 -55.58 -55.58 -55.58 . . 0 "[ ]"
102 PHI 1 84 LYS C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -75.00 -45.00 -55.66 -55.66 -55.66 . . 0 "[ ]"
103 CHI1 1 85 ASP N 1 85 ASP CA 1 85 ASP CB 1 85 ASP CG -95.00 -25.00 -60.21 -60.21 -60.21 . . 0 "[ ]"
104 PSI 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 LEU N -70.00 -10.00 -48.20 -48.20 -48.20 . . 0 "[ ]"
105 PHI 1 85 ASP C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -75.00 -45.00 -49.09 -49.09 -49.09 . . 0 "[ ]"
106 CHI1 1 86 LEU N 1 86 LEU CA 1 86 LEU CB 1 86 LEU CG 110.00 -95.00 -177.08 -177.08 -177.08 . . 0 "[ ]"
107 PSI 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 VAL N -60.00 -30.00 -58.06 -58.06 -58.06 . . 0 "[ ]"
108 PHI 1 86 LEU C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -75.00 -45.00 -58.53 -58.53 -58.53 . . 0 "[ ]"
109 CHI1 1 87 VAL N 1 87 VAL CA 1 87 VAL CB 1 87 VAL CG1 150.00 -175.00 168.71 168.71 168.71 . . 0 "[ ]"
110 PSI 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 GLU N -80.00 -25.00 -40.78 -40.78 -40.78 . . 0 "[ ]"
111 PHI 1 87 VAL C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -85.00 -65.00 -72.56 -72.56 -72.56 . . 0 "[ ]"
112 CHI1 1 88 GLU N 1 88 GLU CA 1 88 GLU CB 1 88 GLU CG -95.00 -55.00 -74.77 -74.77 -74.77 . . 0 "[ ]"
113 PSI 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 SER N -30.00 -5.00 -13.89 -13.89 -13.89 . . 0 "[ ]"
114 PHI 1 88 GLU C 1 89 SER N 1 89 SER CA 1 89 SER C -130.00 -85.00 -103.24 -103.24 -103.24 . . 0 "[ ]"
115 CHI1 1 89 SER N 1 89 SER CA 1 89 SER CB 1 89 SER OG -95.00 95.00 70.33 70.33 70.33 . . 0 "[ ]"
116 PSI 1 89 SER N 1 89 SER CA 1 89 SER C 1 90 ALA N -20.00 50.00 24.03 24.03 24.03 . . 0 "[ ]"
117 PHI 1 89 SER C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -65.00 -35.00 -53.29 -53.29 -53.29 . . 0 "[ ]"
118 PSI 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 PRO N 145.00 180.00 146.44 146.44 146.44 . . 0 "[ ]"
119 PSI 1 91 PRO N 1 91 PRO CA 1 91 PRO C 1 92 ALA N 120.00 180.00 154.30 154.30 154.30 . . 0 "[ ]"
120 PHI 1 91 PRO C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -155.00 -125.00 -142.49 -142.49 -142.49 . . 0 "[ ]"
121 PSI 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 ALA N 45.00 180.00 133.27 133.27 133.27 . . 0 "[ ]"
122 PHI 1 92 ALA C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -85.00 -70.00 -71.57 -71.57 -71.57 . . 0 "[ ]"
123 PSI 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 LEU N 90.00 150.00 123.67 123.67 123.67 . . 0 "[ ]"
124 PHI 1 93 ALA C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -125.00 -85.00 -85.70 -85.70 -85.70 . . 0 "[ ]"
125 CHI1 1 94 LEU N 1 94 LEU CA 1 94 LEU CB 1 94 LEU CG -95.00 -65.00 -94.36 -94.36 -94.36 . . 0 "[ ]"
126 PSI 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 LYS N -70.00 -25.00 -47.78 -47.78 -47.78 . . 0 "[ ]"
127 PHI 1 94 LEU C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -155.00 -90.00 -140.96 -140.96 -140.96 . . 0 "[ ]"
128 CHI1 1 95 LYS N 1 95 LYS CA 1 95 LYS CB 1 95 LYS CG -80.00 -10.00 -36.81 -36.81 -36.81 . . 0 "[ ]"
129 PSI 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 GLU N 135.00 -175.00 155.52 155.52 155.52 . . 0 "[ ]"
130 PHI 1 95 LYS C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -145.00 -90.00 -137.78 -137.78 -137.78 . . 0 "[ ]"
131 CHI1 1 96 GLU N 1 96 GLU CA 1 96 GLU CB 1 96 GLU CG -80.00 -40.00 -60.28 -60.28 -60.28 . . 0 "[ ]"
132 PSI 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 GLY N 115.00 -175.00 124.04 124.04 124.04 . . 0 "[ ]"
133 PHI 1 96 GLU C 1 97 GLY N 1 97 GLY CA 1 97 GLY C -70.00 95.00 65.04 65.04 65.04 . . 0 "[ ]"
134 PSI 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 VAL N 50.00 100.00 52.01 52.01 52.01 . . 0 "[ ]"
135 PHI 1 97 GLY C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -145.00 -85.00 -114.25 -114.25 -114.25 . . 0 "[ ]"
136 CHI1 1 98 VAL N 1 98 VAL CA 1 98 VAL CB 1 98 VAL CG1 -90.00 -20.00 -68.00 -68.00 -68.00 . . 0 "[ ]"
137 PSI 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 SER N 155.00 -170.00 159.45 159.45 159.45 . . 0 "[ ]"
138 PHI 1 98 VAL C 1 99 SER N 1 99 SER CA 1 99 SER C -75.00 -45.00 -58.80 -58.80 -58.80 . . 0 "[ ]"
139 CHI1 1 99 SER N 1 99 SER CA 1 99 SER CB 1 99 SER OG 40.00 80.00 60.47 60.47 60.47 . . 0 "[ ]"
140 PSI 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 LYS N 130.00 170.00 144.82 144.82 144.82 . . 0 "[ ]"
141 PHI 1 99 SER C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -65.00 -35.00 -55.13 -55.13 -55.13 . . 0 "[ ]"
142 CHI1 1 100 LYS N 1 100 LYS CA 1 100 LYS CB 1 100 LYS CG 145.00 -145.00 -174.12 -174.12 -174.12 . . 0 "[ ]"
143 PSI 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 ASP N -70.00 -20.00 -45.87 -45.87 -45.87 . . 0 "[ ]"
144 PHI 1 100 LYS C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -75.00 -35.00 -52.97 -52.97 -52.97 . . 0 "[ ]"
145 CHI1 1 101 ASP N 1 101 ASP CA 1 101 ASP CB 1 101 ASP CG -95.00 -65.00 -65.14 -65.14 -65.14 . . 0 "[ ]"
146 PSI 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 ASP N -75.00 -20.00 -44.90 -44.90 -44.90 . . 0 "[ ]"
147 PHI 1 101 ASP C 1 102 ASP N 1 102 ASP CA 1 102 ASP C -75.00 -45.00 -66.80 -66.80 -66.80 . . 0 "[ ]"
148 CHI1 1 102 ASP N 1 102 ASP CA 1 102 ASP CB 1 102 ASP CG -95.00 -65.00 -76.89 -76.89 -76.89 . . 0 "[ ]"
149 PSI 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 ALA N -90.00 -10.00 -43.85 -43.85 -43.85 . . 0 "[ ]"
150 PHI 1 102 ASP C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -65.00 -25.00 -57.46 -57.46 -57.46 . . 0 "[ ]"
151 PSI 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 GLU N -70.00 -10.00 -48.23 -48.23 -48.23 . . 0 "[ ]"
152 PHI 1 103 ALA C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -75.00 -55.00 -70.41 -70.41 -70.41 . . 0 "[ ]"
153 CHI1 1 104 GLU N 1 104 GLU CA 1 104 GLU CB 1 104 GLU CG 50.00 -50.00 -158.56 -158.56 -158.56 . . 0 "[ ]"
154 PSI 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 ALA N -80.00 0.00 -24.72 -24.72 -24.72 . . 0 "[ ]"
155 PHI 1 104 GLU C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -75.00 -45.00 -65.22 -65.22 -65.22 . . 0 "[ ]"
156 PSI 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 LEU N -90.00 -10.00 -50.92 -50.92 -50.92 . . 0 "[ ]"
157 PHI 1 105 ALA C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -75.00 -55.00 -69.37 -69.37 -69.37 . . 0 "[ ]"
158 CHI1 1 106 LEU N 1 106 LEU CA 1 106 LEU CB 1 106 LEU CG 140.00 -165.00 -161.81 -161.81 -161.81 3.19 1 0 "[ ]"
159 PSI 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 LYS N -70.00 -35.00 -40.60 -40.60 -40.60 . . 0 "[ ]"
160 PHI 1 106 LEU C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -65.00 -30.00 -51.80 -51.80 -51.80 . . 0 "[ ]"
161 CHI1 1 107 LYS N 1 107 LYS CA 1 107 LYS CB 1 107 LYS CG 145.00 -145.00 -163.23 -163.23 -163.23 . . 0 "[ ]"
162 PSI 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 LYS N -70.00 -10.00 -53.53 -53.53 -53.53 . . 0 "[ ]"
163 PHI 1 107 LYS C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -65.00 -40.00 -60.06 -60.06 -60.06 . . 0 "[ ]"
164 CHI1 1 108 LYS N 1 108 LYS CA 1 108 LYS CB 1 108 LYS CG -110.00 100.00 70.72 70.72 70.72 . . 0 "[ ]"
165 PSI 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 ALA N -85.00 -20.00 -32.97 -32.97 -32.97 . . 0 "[ ]"
166 PHI 1 108 LYS C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -65.00 -30.00 -64.69 -64.69 -64.69 . . 0 "[ ]"
167 PSI 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 LEU N -70.00 -20.00 -43.36 -43.36 -43.36 . . 0 "[ ]"
168 PHI 1 109 ALA C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -70.00 -55.00 -62.14 -62.14 -62.14 . . 0 "[ ]"
169 CHI1 1 110 LEU N 1 110 LEU CA 1 110 LEU CB 1 110 LEU CG -95.00 -30.00 -84.00 -84.00 -84.00 . . 0 "[ ]"
170 PSI 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 GLU N -80.00 -30.00 -44.02 -44.02 -44.02 . . 0 "[ ]"
171 PHI 1 110 LEU C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -75.00 -40.00 -61.77 -61.77 -61.77 . . 0 "[ ]"
172 CHI1 1 111 GLU N 1 111 GLU CA 1 111 GLU CB 1 111 GLU CG -95.00 -40.00 -68.97 -68.97 -68.97 . . 0 "[ ]"
173 PSI 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 GLU N -60.00 -20.00 -43.52 -43.52 -43.52 . . 0 "[ ]"
174 PHI 1 111 GLU C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -75.00 -45.00 -55.58 -55.58 -55.58 . . 0 "[ ]"
175 CHI1 1 112 GLU N 1 112 GLU CA 1 112 GLU CB 1 112 GLU CG -95.00 -35.00 -75.83 -75.83 -75.83 . . 0 "[ ]"
176 PSI 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 ALA N -50.00 -5.00 -35.99 -35.99 -35.99 . . 0 "[ ]"
177 PHI 1 112 GLU C 1 113 ALA N 1 113 ALA CA 1 113 ALA C -120.00 -85.00 -82.32 -82.32 -82.32 2.68 1 0 "[ ]"
178 PSI 1 113 ALA N 1 113 ALA CA 1 113 ALA C 1 114 GLY N -40.00 0.00 -31.27 -31.27 -31.27 . . 0 "[ ]"
179 PHI 1 113 ALA C 1 114 GLY N 1 114 GLY CA 1 114 GLY C 85.00 150.00 99.98 99.98 99.98 . . 0 "[ ]"
180 PSI 1 114 GLY N 1 114 GLY CA 1 114 GLY C 1 115 ALA N 20.00 80.00 58.90 58.90 58.90 . . 0 "[ ]"
181 PHI 1 114 GLY C 1 115 ALA N 1 115 ALA CA 1 115 ALA C -155.00 -85.00 -129.05 -129.05 -129.05 . . 0 "[ ]"
182 PSI 1 115 ALA N 1 115 ALA CA 1 115 ALA C 1 116 GLU N 120.00 -170.00 160.52 160.52 160.52 . . 0 "[ ]"
183 PHI 1 115 ALA C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -140.00 -85.00 -97.00 -97.00 -97.00 . . 0 "[ ]"
184 CHI1 1 116 GLU N 1 116 GLU CA 1 116 GLU CB 1 116 GLU CG 170.00 -165.00 -165.80 -165.80 -165.80 . . 0 "[ ]"
185 PSI 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 VAL N 70.00 130.00 119.22 119.22 119.22 . . 0 "[ ]"
186 PHI 1 116 GLU C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -145.00 -95.00 -113.76 -113.76 -113.76 . . 0 "[ ]"
187 CHI1 1 117 VAL N 1 117 VAL CA 1 117 VAL CB 1 117 VAL CG1 150.00 -165.00 -175.38 -175.38 -175.38 . . 0 "[ ]"
188 PSI 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 GLU N 120.00 170.00 164.32 164.32 164.32 . . 0 "[ ]"
189 PHI 1 117 VAL C 1 118 GLU N 1 118 GLU CA 1 118 GLU C -140.00 -95.00 -132.15 -132.15 -132.15 . . 0 "[ ]"
190 CHI1 1 118 GLU N 1 118 GLU CA 1 118 GLU CB 1 118 GLU CG 140.00 -165.00 168.79 168.79 168.79 . . 0 "[ ]"
191 PSI 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 VAL N 125.00 165.00 129.31 129.31 129.31 . . 0 "[ ]"
192 PHI 1 118 GLU C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -140.00 -85.00 -116.34 -116.34 -116.34 . . 0 "[ ]"
193 CHI1 1 119 VAL N 1 119 VAL CA 1 119 VAL CB 1 119 VAL CG1 135.00 -165.00 -177.72 -177.72 -177.72 . . 0 "[ ]"
194 PSI 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 LYS N 80.00 150.00 120.95 120.95 120.95 . . 0 "[ ]"
195 PHI 1 119 VAL C 1 120 LYS N 1 120 LYS CA 1 120 LYS C -145.00 -100.00 -144.14 -144.14 -144.14 . . 0 "[ ]"
196 CHI1 1 120 LYS N 1 120 LYS CA 1 120 LYS CB 1 120 LYS CG 50.00 -60.00 71.13 71.13 71.13 . . 0 "[ ]"
stop_
save_
save_dihedral_constraint_statistics_3
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 80
_TA_constraint_stats_list.Viol_count 24
_TA_constraint_stats_list.Viol_total 412.09
_TA_constraint_stats_list.Viol_max 174.97
_TA_constraint_stats_list.Viol_rms 27.37
_TA_constraint_stats_list.Viol_average_all_restraints 5.15
_TA_constraint_stats_list.Viol_average_violations_only 17.17
_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 OMEGA 1 30 PHE O 1 30 PHE C 1 31 GLY N 1 31 GLY H 175.70 -174.30 179.60 179.60 179.60 . . 0 "[ ]"
2 PHI 1 30 PHE C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 95.70 105.70 92.59 92.59 92.59 3.11 1 0 "[ ]"
3 PSI 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 VAL N 148.30 158.30 142.89 142.89 142.89 5.41 1 1 [+]
4 OMEGA 1 31 GLY O 1 31 GLY C 1 32 VAL N 1 32 VAL H 177.20 -172.80 -177.63 -177.63 -177.63 . . 0 "[ ]"
5 PHI 1 31 GLY C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -65.80 -55.80 -70.99 -70.99 -70.99 5.19 1 1 [+]
6 CHI1 1 32 VAL N 1 32 VAL CA 1 32 VAL CB 1 32 VAL CG1 -69.80 -59.80 -61.70 -61.70 -61.70 . . 0 "[ ]"
7 PSI 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 SER N -30.00 -20.20 -19.38 -19.38 -19.38 0.82 1 0 "[ ]"
8 OMEGA 1 32 VAL O 1 32 VAL C 1 33 SER N 1 33 SER H 177.60 -172.40 -179.98 -179.98 -179.98 . . 0 "[ ]"
9 PHI 1 32 VAL C 1 33 SER N 1 33 SER CA 1 33 SER C -84.00 -74.20 -75.47 -75.47 -75.47 . . 0 "[ ]"
10 CHI1 1 33 SER N 1 33 SER CA 1 33 SER CB 1 33 SER OG -67.30 -57.30 -60.20 -60.20 -60.20 . . 0 "[ ]"
11 PSI 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 ALA N -49.10 -39.10 -45.84 -45.84 -45.84 . . 0 "[ ]"
12 OMEGA 1 33 SER O 1 33 SER C 1 34 ALA N 1 34 ALA H 174.00 -175.80 -174.31 -174.31 -174.31 1.49 1 0 "[ ]"
13 PHI 1 33 SER C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -86.50 -76.50 -82.19 -82.19 -82.19 . . 0 "[ ]"
14 PSI 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 ALA N -30.60 -20.60 -30.10 -30.10 -30.10 . . 0 "[ ]"
15 OMEGA 1 34 ALA O 1 34 ALA C 1 35 ALA N 1 35 ALA H 175.70 -174.30 -176.42 -176.42 -176.42 . . 0 "[ ]"
16 PHI 1 34 ALA C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -90.50 -80.50 -90.73 -90.73 -90.73 0.23 1 0 "[ ]"
17 PSI 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 ALA N -19.90 -9.90 -15.49 -15.49 -15.49 . . 0 "[ ]"
18 OMEGA 1 35 ALA O 1 35 ALA C 1 36 ALA N 1 36 ALA H 176.00 -174.20 -178.29 -178.29 -178.29 . . 0 "[ ]"
19 PHI 1 35 ALA C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -51.00 -41.20 -41.96 -41.96 -41.96 . . 0 "[ ]"
20 PSI 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 ALA N -53.90 -43.90 -45.77 -45.77 -45.77 . . 0 "[ ]"
21 OMEGA 1 36 ALA O 1 36 ALA C 1 37 ALA N 1 37 ALA H 173.40 -176.60 -176.22 -176.22 -176.22 0.38 1 0 "[ ]"
22 PHI 1 36 ALA C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -65.80 -55.80 -62.80 -62.80 -62.80 . . 0 "[ ]"
23 PSI 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 VAL N -51.80 -41.80 -42.35 -42.35 -42.35 . . 0 "[ ]"
24 OMEGA 1 37 ALA O 1 37 ALA C 1 38 VAL N 1 38 VAL H 175.30 -174.70 -177.09 -177.09 -177.09 . . 0 "[ ]"
25 PHI 1 37 ALA C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -76.60 -66.60 -70.57 -70.57 -70.57 . . 0 "[ ]"
26 CHI1 1 38 VAL N 1 38 VAL CA 1 38 VAL CB 1 38 VAL CG1 162.60 172.60 166.95 166.95 166.95 . . 0 "[ ]"
27 PSI 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 ALA N -40.60 -30.60 -37.29 -37.29 -37.29 . . 0 "[ ]"
28 OMEGA 1 38 VAL O 1 38 VAL C 1 39 ALA N 1 39 ALA H 175.40 -174.60 -175.49 -175.49 -175.49 . . 0 "[ ]"
29 PHI 1 38 VAL C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -65.80 -55.80 -64.48 -64.48 -64.48 . . 0 "[ ]"
30 PSI 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 VAL N -55.30 -45.30 -49.13 -49.13 -49.13 . . 0 "[ ]"
31 OMEGA 1 39 ALA O 1 39 ALA C 1 40 VAL N 1 40 VAL H 177.30 -172.70 -176.73 -176.73 -176.73 . . 0 "[ ]"
32 PHI 1 39 ALA C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -75.20 -65.20 -72.49 -72.49 -72.49 . . 0 "[ ]"
33 CHI1 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 -68.50 -58.50 -59.83 -59.83 -59.83 . . 0 "[ ]"
34 PSI 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 ALA N -44.20 -34.20 -28.91 -28.91 -28.91 5.29 1 1 [+]
35 OMEGA 1 40 VAL O 1 40 VAL C 1 41 ALA N 1 41 ALA H 177.30 -172.70 -177.74 -177.74 -177.74 . . 0 "[ ]"
36 PHI 1 40 VAL C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -77.00 -67.20 -78.04 -78.04 -78.04 1.04 1 0 "[ ]"
37 PSI 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 ALA N -29.00 -19.20 -28.78 -28.78 -28.78 . . 0 "[ ]"
38 OMEGA 1 41 ALA O 1 41 ALA C 1 42 ALA N 1 42 ALA H 177.50 -172.50 -176.33 -176.33 -176.33 . . 0 "[ ]"
39 PHI 1 41 ALA C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -96.30 -86.30 -96.69 -96.69 -96.69 0.39 1 0 "[ ]"
40 PSI 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 GLY N -30.50 -20.50 -20.33 -20.33 -20.33 0.17 1 0 "[ ]"
41 OMEGA 1 42 ALA O 1 42 ALA C 1 43 GLY N 1 43 GLY H 176.20 -173.80 -176.71 -176.71 -176.71 . . 0 "[ ]"
42 PHI 1 42 ALA C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -56.30 -46.30 -48.02 -48.02 -48.02 . . 0 "[ ]"
43 PSI 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 PRO N -49.80 -39.80 -49.20 -49.20 -49.20 . . 0 "[ ]"
44 OMEGA 1 43 GLY O 1 43 GLY C 1 44 PRO N 1 44 PRO CD 171.10 -178.90 -177.27 -177.27 -177.27 1.63 1 0 "[ ]"
45 PSI 1 44 PRO N 1 44 PRO CA 1 44 PRO C 1 45 VAL N -39.50 -29.50 -37.39 -37.39 -37.39 . . 0 "[ ]"
46 OMEGA 1 44 PRO O 1 44 PRO C 1 45 VAL N 1 45 VAL H 174.40 -175.60 -177.88 -177.88 -177.88 . . 0 "[ ]"
47 PHI 1 44 PRO C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -68.90 -58.90 -55.33 -55.33 -55.33 3.57 1 0 "[ ]"
48 CHI1 1 45 VAL N 1 45 VAL CA 1 45 VAL CB 1 45 VAL CG1 176.10 -173.90 177.89 177.89 177.89 . . 0 "[ ]"
49 PSI 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 GLU N -47.60 -37.60 -39.41 -39.41 -39.41 . . 0 "[ ]"
50 OMEGA 1 45 VAL O 1 45 VAL C 1 46 GLU N 1 46 GLU H 173.90 -176.10 -176.55 -176.55 -176.55 . . 0 "[ ]"
51 PHI 1 45 VAL C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -76.20 -66.20 -72.70 -72.70 -72.70 . . 0 "[ ]"
52 CHI1 1 46 GLU N 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG -70.70 -60.70 -68.58 -68.58 -68.58 . . 0 "[ ]"
53 CHI2 1 46 GLU CA 1 46 GLU CB 1 46 GLU CG 1 46 GLU CD 158.20 168.20 160.38 160.38 160.38 . . 0 "[ ]"
54 CHI3 1 46 GLU CB 1 46 GLU CG 1 46 GLU CD 1 46 GLU OE1 159.20 169.20 -15.77 -15.77 -15.77 174.97 1 1 [+]
55 PSI 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ALA N -44.80 -34.80 -45.14 -45.14 -45.14 0.34 1 0 "[ ]"
56 OMEGA 1 46 GLU O 1 46 GLU C 1 47 ALA N 1 47 ALA H 172.60 -177.40 -175.82 -175.82 -175.82 1.58 1 0 "[ ]"
57 PHI 1 46 GLU C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -62.40 -52.40 -65.16 -65.16 -65.16 2.76 1 0 "[ ]"
58 PSI 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 ALA N -47.90 -37.90 -38.25 -38.25 -38.25 . . 0 "[ ]"
59 OMEGA 1 47 ALA O 1 47 ALA C 1 48 ALA N 1 48 ALA H 174.90 -175.10 -175.84 -175.84 -175.84 . . 0 "[ ]"
60 PHI 1 47 ALA C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -69.60 -59.60 -55.48 -55.48 -55.48 4.12 1 0 "[ ]"
61 PSI 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 GLU N -39.80 -29.80 -35.63 -35.63 -35.63 . . 0 "[ ]"
62 OMEGA 1 48 ALA O 1 48 ALA C 1 49 GLU N 1 49 GLU H 177.70 -172.30 -174.79 -174.79 -174.79 . . 0 "[ ]"
63 PHI 1 48 ALA C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -72.70 -62.70 -68.68 -68.68 -68.68 . . 0 "[ ]"
64 CHI1 1 49 GLU N 1 49 GLU CA 1 49 GLU CB 1 49 GLU CG -68.20 -58.20 -71.95 -71.95 -71.95 3.75 1 0 "[ ]"
65 CHI2 1 49 GLU CA 1 49 GLU CB 1 49 GLU CG 1 49 GLU CD -169.80 -159.80 -166.31 -166.31 -166.31 . . 0 "[ ]"
66 CHI3 1 49 GLU CB 1 49 GLU CG 1 49 GLU CD 1 49 GLU OE1 75.80 85.80 78.47 78.47 78.47 . . 0 "[ ]"
67 PSI 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 GLU N -35.80 -25.80 -23.37 -23.37 -23.37 2.43 1 0 "[ ]"
68 OMEGA 1 49 GLU O 1 49 GLU C 1 50 GLU N 1 50 GLU H 175.10 -174.90 178.95 178.95 178.95 . . 0 "[ ]"
69 PHI 1 49 GLU C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -97.80 -87.80 -89.71 -89.71 -89.71 . . 0 "[ ]"
70 CHI1 1 50 GLU N 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG -70.70 -60.70 -77.91 -77.91 -77.91 7.21 1 1 [+]
71 CHI2 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG 1 50 GLU CD 158.20 168.20 168.07 168.07 168.07 . . 0 "[ ]"
72 CHI3 1 50 GLU CB 1 50 GLU CG 1 50 GLU CD 1 50 GLU OE1 159.20 169.20 -17.55 -17.55 -17.55 173.25 1 1 [+]
73 PSI 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 LYS N -0.70 9.30 -5.86 -5.86 -5.86 5.16 1 1 [+]
74 OMEGA 1 50 GLU O 1 50 GLU C 1 51 LYS N 1 51 LYS H 174.60 -175.40 -176.46 -176.46 -176.46 . . 0 "[ ]"
75 PHI 1 50 GLU C 1 51 LYS N 1 51 LYS CA 1 51 LYS C 55.00 65.20 56.16 56.16 56.16 . . 0 "[ ]"
76 CHI1 1 51 LYS N 1 51 LYS CA 1 51 LYS CB 1 51 LYS CG -96.40 -86.40 -94.11 -94.11 -94.11 . . 0 "[ ]"
77 CHI2 1 51 LYS CA 1 51 LYS CB 1 51 LYS CG 1 51 LYS CD 58.30 68.30 65.62 65.62 65.62 . . 0 "[ ]"
78 CHI3 1 51 LYS CB 1 51 LYS CG 1 51 LYS CD 1 51 LYS CE 117.50 127.50 123.09 123.09 123.09 . . 0 "[ ]"
79 CHI4 1 51 LYS CG 1 51 LYS CD 1 51 LYS CE 1 51 LYS NZ -129.20 -119.20 -124.88 -124.88 -124.88 . . 0 "[ ]"
80 PSI 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 THR N 28.60 38.60 46.38 46.38 46.38 7.78 1 1 [+]
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