NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581067 |
2mk9   |
19764 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mk9
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 136
_TA_constraint_stats_list.Viol_count 193
_TA_constraint_stats_list.Viol_total 4788.56
_TA_constraint_stats_list.Viol_max 10.65
_TA_constraint_stats_list.Viol_rms 1.35
_TA_constraint_stats_list.Viol_average_all_restraints 0.35
_TA_constraint_stats_list.Viol_average_violations_only 2.48
_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 12 ILE N 1 12 ILE CA 1 12 ILE CB 1 12 ILE CG1 -90.00 -30.00 -65.95 -66.53 -67.57 . . 0 "[ . 1]"
2 CHI1 2 12 ILE N 2 12 ILE CA 2 12 ILE CB 2 12 ILE CG1 -90.00 -30.00 -65.78 -65.77 -66.70 . . 0 "[ . 1]"
3 CHI1 1 16 ILE N 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 -90.00 -30.00 -58.40 -59.52 -56.99 . . 0 "[ . 1]"
4 CHI1 2 16 ILE N 2 16 ILE CA 2 16 ILE CB 2 16 ILE CG1 -90.00 -30.00 -58.22 -58.63 -58.85 . . 0 "[ . 1]"
5 CHI1 1 19 ILE N 1 19 ILE CA 1 19 ILE CB 1 19 ILE CG1 -90.00 -30.00 -62.34 -64.21 -58.58 . . 0 "[ . 1]"
6 CHI1 2 19 ILE N 2 19 ILE CA 2 19 ILE CB 2 19 ILE CG1 -90.00 -30.00 -62.32 -64.50 -58.86 . . 0 "[ . 1]"
7 CHI1 1 21 ILE N 1 21 ILE CA 1 21 ILE CB 1 21 ILE CG1 -90.00 -30.00 -88.69 -88.72 -88.88 0.29 5 0 "[ . 1]"
8 CHI1 2 21 ILE N 2 21 ILE CA 2 21 ILE CB 2 21 ILE CG1 -90.00 -30.00 -88.67 -88.64 -88.74 0.48 5 0 "[ . 1]"
9 CHI1 1 23 ILE N 1 23 ILE CA 1 23 ILE CB 1 23 ILE CG1 -90.00 -30.00 -91.26 -95.41 -89.35 5.41 10 2 "[ .- +]"
10 CHI1 2 23 ILE N 2 23 ILE CA 2 23 ILE CB 2 23 ILE CG1 -90.00 -30.00 -91.00 -93.88 -89.10 3.88 6 0 "[ . 1]"
11 CHI1 1 27 ILE N 1 27 ILE CA 1 27 ILE CB 1 27 ILE CG1 -90.00 -30.00 -90.74 -90.65 -90.83 1.14 8 0 "[ . 1]"
12 CHI1 2 27 ILE N 2 27 ILE CA 2 27 ILE CB 2 27 ILE CG1 -90.00 -30.00 -90.69 -90.58 -90.77 1.40 8 0 "[ . 1]"
13 CHI1 1 24 VAL N 1 24 VAL CA 1 24 VAL CB 1 24 VAL CG1 150.00 -150.00 166.12 167.58 166.87 . . 0 "[ . 1]"
14 CHI1 2 24 VAL N 2 24 VAL CA 2 24 VAL CB 2 24 VAL CG1 150.00 -150.00 165.67 167.52 167.24 . . 0 "[ . 1]"
15 CHI1 1 11 MET N 1 11 MET CA 1 11 MET CB 1 11 MET CG -90.00 -30.00 -90.64 -92.64 -89.84 2.64 9 0 "[ . 1]"
16 CHI1 2 11 MET N 2 11 MET CA 2 11 MET CB 2 11 MET CG -90.00 -30.00 -90.71 -92.50 -90.09 2.50 9 0 "[ . 1]"
17 CHI1 1 18 LEU N 1 18 LEU CA 1 18 LEU CB 1 18 LEU CG -90.00 -30.00 -80.64 -78.06 -79.58 . . 0 "[ . 1]"
18 CHI1 2 18 LEU N 2 18 LEU CA 2 18 LEU CB 2 18 LEU CG -90.00 -30.00 -80.27 -80.01 -80.73 . . 0 "[ . 1]"
19 CHI1 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG -90.00 -30.00 -84.98 -90.69 -90.97 1.32 1 0 "[ . 1]"
20 CHI1 2 25 LEU N 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG -90.00 -30.00 -85.41 -90.59 -90.87 1.40 1 0 "[ . 1]"
21 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 150.00 -150.00 173.54 173.87 172.77 . . 0 "[ . 1]"
22 CHI1 2 28 HIS N 2 28 HIS CA 2 28 HIS CB 2 28 HIS CG 150.00 -150.00 173.70 173.89 172.23 . . 0 "[ . 1]"
23 CHI2 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 1 25 LEU CD1 150.00 -150.00 -175.74 -179.07 -170.45 . . 0 "[ . 1]"
24 CHI2 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG 2 25 LEU CD1 150.00 -150.00 -176.33 -179.51 -171.51 . . 0 "[ . 1]"
25 PHI 1 2 ASP C 1 3 SER N 1 3 SER CA 1 3 SER C -137.20 -67.20 -109.72 -117.02 -128.11 . . 0 "[ . 1]"
26 PHI 2 2 ASP C 2 3 SER N 2 3 SER CA 2 3 SER C -137.20 -67.20 -109.73 -117.99 -128.46 . . 0 "[ . 1]"
27 PSI 1 3 SER N 1 3 SER CA 1 3 SER C 1 4 ALA N -40.00 55.30 36.63 34.91 38.32 . . 0 "[ . 1]"
28 PSI 2 3 SER N 2 3 SER CA 2 3 SER C 2 4 ALA N -40.00 55.30 36.50 34.55 38.33 . . 0 "[ . 1]"
29 PHI 1 3 SER C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -97.40 -9.70 -70.23 -71.86 -68.99 . . 0 "[ . 1]"
30 PHI 2 3 SER C 2 4 ALA N 2 4 ALA CA 2 4 ALA C -97.40 -9.70 -70.37 -71.80 -69.72 . . 0 "[ . 1]"
31 PSI 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 PRO N -82.40 -5.00 -60.43 -60.96 -60.06 . . 0 "[ . 1]"
32 PSI 2 4 ALA N 2 4 ALA CA 2 4 ALA C 2 5 PRO N -82.40 -5.00 -60.42 -60.86 -60.05 . . 0 "[ . 1]"
33 PHI 1 5 PRO C 1 6 PHE N 1 6 PHE CA 1 6 PHE C -84.60 -44.60 -73.88 -61.97 -67.60 . . 0 "[ . 1]"
34 PHI 2 5 PRO C 2 6 PHE N 2 6 PHE CA 2 6 PHE C -84.60 -44.60 -73.98 -61.96 -67.82 . . 0 "[ . 1]"
35 PSI 1 6 PHE N 1 6 PHE CA 1 6 PHE C 1 7 GLU N -57.10 -17.10 -34.20 -26.46 -33.47 . . 0 "[ . 1]"
36 PSI 2 6 PHE N 2 6 PHE CA 2 6 PHE C 2 7 GLU N -57.10 -17.10 -34.43 -26.99 -33.63 . . 0 "[ . 1]"
37 PHI 1 6 PHE C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -84.60 -44.60 -60.26 -68.69 -55.23 . . 0 "[ . 1]"
38 PHI 2 6 PHE C 2 7 GLU N 2 7 GLU CA 2 7 GLU C -84.60 -44.60 -60.15 -67.82 -55.23 . . 0 "[ . 1]"
39 PSI 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 LEU N -57.90 -17.90 -42.56 -52.98 -34.11 . . 0 "[ . 1]"
40 PSI 2 7 GLU N 2 7 GLU CA 2 7 GLU C 2 8 LEU N -57.90 -17.90 -43.17 -53.97 -34.80 . . 0 "[ . 1]"
41 PHI 1 7 GLU C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -85.00 -45.00 -53.51 -51.45 -52.33 . . 0 "[ . 1]"
42 PHI 2 7 GLU C 2 8 LEU N 2 8 LEU CA 2 8 LEU C -85.00 -45.00 -53.97 -51.32 -52.59 . . 0 "[ . 1]"
43 PSI 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 PHE N -61.20 -21.20 -37.94 -42.79 -35.51 . . 0 "[ . 1]"
44 PSI 2 8 LEU N 2 8 LEU CA 2 8 LEU C 2 9 PHE N -61.20 -21.20 -38.03 -42.85 -35.55 . . 0 "[ . 1]"
45 PHI 1 8 LEU C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -85.50 -45.50 -50.18 -49.63 -49.95 . . 0 "[ . 1]"
46 PHI 2 8 LEU C 2 9 PHE N 2 9 PHE CA 2 9 PHE C -85.50 -45.50 -50.07 -49.76 -50.19 . . 0 "[ . 1]"
47 PSI 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 PHE N -61.90 -21.90 -42.43 -49.84 -34.22 . . 0 "[ . 1]"
48 PSI 2 9 PHE N 2 9 PHE CA 2 9 PHE C 2 10 PHE N -61.90 -21.90 -42.67 -49.44 -34.20 . . 0 "[ . 1]"
49 PHI 1 9 PHE C 1 10 PHE N 1 10 PHE CA 1 10 PHE C -84.50 -44.50 -76.47 -68.51 -74.28 . . 0 "[ . 1]"
50 PHI 2 9 PHE C 2 10 PHE N 2 10 PHE CA 2 10 PHE C -84.50 -44.50 -76.16 -77.53 -80.23 0.25 9 0 "[ . 1]"
51 PSI 1 10 PHE N 1 10 PHE CA 1 10 PHE C 1 11 MET N -61.80 -16.30 -28.60 -39.05 -25.93 . . 0 "[ . 1]"
52 PSI 2 10 PHE N 2 10 PHE CA 2 10 PHE C 2 11 MET N -61.80 -16.30 -29.18 -39.59 -25.99 . . 0 "[ . 1]"
53 PHI 1 10 PHE C 1 11 MET N 1 11 MET CA 1 11 MET C -87.80 -47.80 -69.44 -57.17 -69.47 . . 0 "[ . 1]"
54 PHI 2 10 PHE C 2 11 MET N 2 11 MET CA 2 11 MET C -87.80 -47.80 -68.55 -56.57 -63.62 . . 0 "[ . 1]"
55 PSI 1 11 MET N 1 11 MET CA 1 11 MET C 1 12 ILE N -59.90 -19.90 -36.09 -58.73 -24.93 . . 0 "[ . 1]"
56 PSI 2 11 MET N 2 11 MET CA 2 11 MET C 2 12 ILE N -59.90 -19.90 -35.91 -56.45 -23.49 . . 0 "[ . 1]"
57 PHI 1 11 MET C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -84.10 -44.10 -78.92 -84.41 -84.98 0.88 1 0 "[ . 1]"
58 PHI 2 11 MET C 2 12 ILE N 2 12 ILE CA 2 12 ILE C -84.10 -44.10 -79.30 -84.31 -84.59 0.49 1 0 "[ . 1]"
59 PSI 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 ASN N -62.60 -22.60 -51.95 -55.54 -57.47 . . 0 "[ . 1]"
60 PSI 2 12 ILE N 2 12 ILE CA 2 12 ILE C 2 13 ASN N -62.60 -22.60 -52.01 -54.79 -56.35 . . 0 "[ . 1]"
61 PHI 1 12 ILE C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -82.40 -42.40 -52.39 -50.44 -51.33 . . 0 "[ . 1]"
62 PHI 2 12 ILE C 2 13 ASN N 2 13 ASN CA 2 13 ASN C -82.40 -42.40 -52.54 -50.13 -51.26 . . 0 "[ . 1]"
63 PSI 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 THR N -62.70 -22.70 -54.91 -50.88 -54.12 . . 0 "[ . 1]"
64 PSI 2 13 ASN N 2 13 ASN CA 2 13 ASN C 2 14 THR N -62.70 -22.70 -54.68 -50.01 -53.56 . . 0 "[ . 1]"
65 PHI 1 13 ASN C 1 14 THR N 1 14 THR CA 1 14 THR C -81.30 -41.30 -56.03 -51.63 -52.66 . . 0 "[ . 1]"
66 PHI 2 13 ASN C 2 14 THR N 2 14 THR CA 2 14 THR C -81.30 -41.30 -55.78 -50.88 -52.08 . . 0 "[ . 1]"
67 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 SER N -59.80 -19.80 -26.92 -34.16 -20.89 . . 0 "[ . 1]"
68 PSI 2 14 THR N 2 14 THR CA 2 14 THR C 2 15 SER N -59.80 -19.80 -27.55 -33.54 -22.17 . . 0 "[ . 1]"
69 PHI 1 14 THR C 1 15 SER N 1 15 SER CA 1 15 SER C -82.40 -42.40 -70.17 -69.44 -69.91 . . 0 "[ . 1]"
70 PHI 2 14 THR C 2 15 SER N 2 15 SER CA 2 15 SER C -82.40 -42.40 -69.86 -70.00 -70.09 . . 0 "[ . 1]"
71 PSI 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 ILE N -62.80 -22.80 -63.83 -64.17 -63.23 1.37 9 0 "[ . 1]"
72 PSI 2 15 SER N 2 15 SER CA 2 15 SER C 2 16 ILE N -62.80 -22.80 -63.77 -64.30 -63.05 1.50 9 0 "[ . 1]"
73 PHI 1 15 SER C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -83.00 -43.00 -52.10 -50.54 -51.04 . . 0 "[ . 1]"
74 PHI 2 15 SER C 2 16 ILE N 2 16 ILE CA 2 16 ILE C -83.00 -43.00 -52.33 -54.04 -49.41 . . 0 "[ . 1]"
75 PSI 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 LEU N -64.30 -24.30 -27.21 -29.46 -24.29 0.01 3 0 "[ . 1]"
76 PSI 2 16 ILE N 2 16 ILE CA 2 16 ILE C 2 17 LEU N -64.30 -24.30 -26.89 -28.04 -28.21 0.08 3 0 "[ . 1]"
77 PHI 1 16 ILE C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -82.90 -41.80 -82.86 -82.54 -82.71 0.23 8 0 "[ . 1]"
78 PHI 2 16 ILE C 2 17 LEU N 2 17 LEU CA 2 17 LEU C -82.90 -41.80 -82.91 -83.34 -82.38 0.44 10 0 "[ . 1]"
79 PSI 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 LEU N -61.90 -21.90 -58.10 -59.71 -54.05 . . 0 "[ . 1]"
80 PSI 2 17 LEU N 2 17 LEU CA 2 17 LEU C 2 18 LEU N -61.90 -21.90 -58.04 -61.09 -54.31 . . 0 "[ . 1]"
81 PHI 1 17 LEU C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -84.90 -44.90 -50.62 -52.00 -49.02 . . 0 "[ . 1]"
82 PHI 2 17 LEU C 2 18 LEU N 2 18 LEU CA 2 18 LEU C -84.90 -44.90 -50.80 -51.02 -51.54 . . 0 "[ . 1]"
83 PSI 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 ILE N -54.70 -14.70 -37.46 -36.30 -36.72 . . 0 "[ . 1]"
84 PSI 2 18 LEU N 2 18 LEU CA 2 18 LEU C 2 19 ILE N -54.70 -14.70 -37.68 -36.06 -36.60 . . 0 "[ . 1]"
85 PHI 1 18 LEU C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -83.40 -43.40 -59.81 -62.43 -50.70 . . 0 "[ . 1]"
86 PHI 2 18 LEU C 2 19 ILE N 2 19 ILE CA 2 19 ILE C -83.40 -43.40 -59.57 -64.03 -51.63 . . 0 "[ . 1]"
87 PSI 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 PHE N -61.00 -21.00 -64.83 -66.25 -63.61 5.25 6 2 "[ .+ -]"
88 PSI 2 19 ILE N 2 19 ILE CA 2 19 ILE C 2 20 PHE N -61.00 -21.00 -64.72 -65.98 -63.76 4.98 6 0 "[ . 1]"
89 PHI 1 19 ILE C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -83.00 -43.00 -61.70 -62.20 -62.83 . . 0 "[ . 1]"
90 PHI 2 19 ILE C 2 20 PHE N 2 20 PHE CA 2 20 PHE C -83.00 -43.00 -61.86 -62.60 -62.87 . . 0 "[ . 1]"
91 PSI 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 ILE N -64.30 -24.30 -25.89 -24.15 -24.29 0.26 8 0 "[ . 1]"
92 PSI 2 20 PHE N 2 20 PHE CA 2 20 PHE C 2 21 ILE N -64.30 -24.30 -25.47 -24.26 -24.33 0.10 8 0 "[ . 1]"
93 PHI 1 20 PHE C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -84.10 -44.10 -70.47 -74.24 -60.56 . . 0 "[ . 1]"
94 PHI 2 20 PHE C 2 21 ILE N 2 21 ILE CA 2 21 ILE C -84.10 -44.10 -70.85 -73.29 -62.97 . . 0 "[ . 1]"
95 PSI 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 PHE N -60.80 -20.80 -51.78 -57.78 -45.37 . . 0 "[ . 1]"
96 PSI 2 21 ILE N 2 21 ILE CA 2 21 ILE C 2 22 PHE N -60.80 -20.80 -51.54 -58.71 -44.88 . . 0 "[ . 1]"
97 PHI 1 21 ILE C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -82.90 -42.90 -71.73 -80.07 -62.29 . . 0 "[ . 1]"
98 PHI 2 21 ILE C 2 22 PHE N 2 22 PHE CA 2 22 PHE C -82.90 -42.90 -71.78 -80.67 -62.27 . . 0 "[ . 1]"
99 PSI 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ILE N -61.80 -21.80 -44.60 -52.36 -52.87 . . 0 "[ . 1]"
100 PSI 2 22 PHE N 2 22 PHE CA 2 22 PHE C 2 23 ILE N -61.80 -21.80 -44.72 -52.25 -53.05 . . 0 "[ . 1]"
101 PHI 1 22 PHE C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -82.20 -42.20 -56.80 -80.06 -49.20 . . 0 "[ . 1]"
102 PHI 2 22 PHE C 2 23 ILE N 2 23 ILE CA 2 23 ILE C -82.20 -42.20 -56.94 -80.28 -47.00 . . 0 "[ . 1]"
103 PSI 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 VAL N -66.40 -26.40 -42.95 -49.20 -50.28 . . 0 "[ . 1]"
104 PSI 2 23 ILE N 2 23 ILE CA 2 23 ILE C 2 24 VAL N -66.40 -26.40 -42.98 -48.37 -50.47 . . 0 "[ . 1]"
105 PHI 1 23 ILE C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -81.00 -41.00 -72.04 -81.63 -65.97 0.63 5 0 "[ . 1]"
106 PHI 2 23 ILE C 2 24 VAL N 2 24 VAL CA 2 24 VAL C -81.00 -41.00 -72.51 -81.82 -66.56 0.82 5 0 "[ . 1]"
107 PSI 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 LEU N -64.20 -24.20 -40.65 -38.71 -40.92 . . 0 "[ . 1]"
108 PSI 2 24 VAL N 2 24 VAL CA 2 24 VAL C 2 25 LEU N -64.20 -24.20 -40.14 -39.42 -41.42 . . 0 "[ . 1]"
109 PHI 1 24 VAL C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -80.90 -40.90 -58.60 -71.02 -51.24 . . 0 "[ . 1]"
110 PHI 2 24 VAL C 2 25 LEU N 2 25 LEU CA 2 25 LEU C -80.90 -40.90 -58.90 -69.63 -53.14 . . 0 "[ . 1]"
111 PSI 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 LEU N -60.30 -20.30 -35.90 -36.55 -38.19 . . 0 "[ . 1]"
112 PSI 2 25 LEU N 2 25 LEU CA 2 25 LEU C 2 26 LEU N -60.30 -20.30 -35.59 -35.09 -36.31 . . 0 "[ . 1]"
113 PHI 1 25 LEU C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -81.70 -41.70 -55.26 -58.64 -51.55 . . 0 "[ . 1]"
114 PHI 2 25 LEU C 2 26 LEU N 2 26 LEU CA 2 26 LEU C -81.70 -41.70 -55.19 -58.76 -51.78 . . 0 "[ . 1]"
115 PSI 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 ILE N -66.10 -26.10 -50.30 -50.54 -57.93 . . 0 "[ . 1]"
116 PSI 2 26 LEU N 2 26 LEU CA 2 26 LEU C 2 27 ILE N -66.10 -26.10 -49.90 -50.06 -56.79 . . 0 "[ . 1]"
117 PHI 1 26 LEU C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -83.50 -43.50 -64.71 -69.86 -52.60 . . 0 "[ . 1]"
118 PHI 2 26 LEU C 2 27 ILE N 2 27 ILE CA 2 27 ILE C -83.50 -43.50 -65.02 -69.52 -53.32 . . 0 "[ . 1]"
119 PSI 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 HIS N -60.20 -20.20 -50.85 -52.29 -49.69 . . 0 "[ . 1]"
120 PSI 2 27 ILE N 2 27 ILE CA 2 27 ILE C 2 28 HIS N -60.20 -20.20 -51.06 -52.69 -49.30 . . 0 "[ . 1]"
121 PHI 1 27 ILE C 1 28 HIS N 1 28 HIS CA 1 28 HIS C -81.20 -41.20 -48.94 -50.31 -46.90 . . 0 "[ . 1]"
122 PHI 2 27 ILE C 2 28 HIS N 2 28 HIS CA 2 28 HIS C -81.20 -41.20 -49.01 -49.81 -46.98 . . 0 "[ . 1]"
123 PSI 1 28 HIS N 1 28 HIS CA 1 28 HIS C 1 29 PHE N -62.90 -22.90 -33.09 -32.65 -34.28 . . 0 "[ . 1]"
124 PSI 2 28 HIS N 2 28 HIS CA 2 28 HIS C 2 29 PHE N -62.90 -22.90 -32.85 -32.60 -33.68 . . 0 "[ . 1]"
125 PHI 1 28 HIS C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -91.90 -51.90 -96.50 -95.58 -96.64 6.20 10 5 "[* -* * +]"
126 PHI 2 28 HIS C 2 29 PHE N 2 29 PHE CA 2 29 PHE C -91.90 -51.90 -96.13 -95.23 -96.32 6.80 10 3 "[ - * +]"
127 PSI 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 GLU N -54.40 -14.40 -22.75 -26.39 -18.94 . . 0 "[ . 1]"
128 PSI 2 29 PHE N 2 29 PHE CA 2 29 PHE C 2 30 GLU N -54.40 -14.40 -23.37 -26.27 -19.50 . . 0 "[ . 1]"
129 PHI 1 29 PHE C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -114.30 -74.30 -72.64 -80.17 -68.88 5.42 10 1 "[ . +]"
130 PHI 2 29 PHE C 2 30 GLU N 2 30 GLU CA 2 30 GLU C -114.30 -74.30 -72.99 -79.84 -68.75 5.55 10 1 "[ . +]"
131 PSI 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 GLY N -21.50 26.80 -0.19 0.76 -1.37 . . 0 "[ . 1]"
132 PSI 2 30 GLU N 2 30 GLU CA 2 30 GLU C 2 31 GLY N -21.50 26.80 0.15 0.43 -0.70 . . 0 "[ . 1]"
133 PHI 1 30 GLU C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 34.30 116.70 125.60 123.70 127.25 10.55 10 10 [**-******+]
134 PHI 2 30 GLU C 2 31 GLY N 2 31 GLY CA 2 31 GLY C 34.30 116.70 125.80 125.90 125.82 10.65 10 10 [**-******+]
135 PSI 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 TRP N -22.20 58.70 50.15 48.59 46.86 . . 0 "[ . 1]"
136 PSI 2 31 GLY N 2 31 GLY CA 2 31 GLY C 2 32 TRP N -22.20 58.70 49.56 48.74 46.14 . . 0 "[ . 1]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 204
_TA_constraint_stats_list.Viol_count 290
_TA_constraint_stats_list.Viol_total 7139.41
_TA_constraint_stats_list.Viol_max 10.65
_TA_constraint_stats_list.Viol_rms 1.35
_TA_constraint_stats_list.Viol_average_all_restraints 0.35
_TA_constraint_stats_list.Viol_average_violations_only 2.46
_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 12 ILE N 1 12 ILE CA 1 12 ILE CB 1 12 ILE CG1 -90.00 -30.00 -65.95 -66.53 -67.57 . . 0 "[ . 1]"
2 CHI1 2 12 ILE N 2 12 ILE CA 2 12 ILE CB 2 12 ILE CG1 -90.00 -30.00 -65.78 -65.77 -66.70 . . 0 "[ . 1]"
3 CHI1 1 16 ILE N 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 -90.00 -30.00 -58.40 -59.52 -56.99 . . 0 "[ . 1]"
4 CHI1 2 16 ILE N 2 16 ILE CA 2 16 ILE CB 2 16 ILE CG1 -90.00 -30.00 -58.22 -58.63 -58.85 . . 0 "[ . 1]"
5 CHI1 1 19 ILE N 1 19 ILE CA 1 19 ILE CB 1 19 ILE CG1 -90.00 -30.00 -62.34 -64.21 -58.58 . . 0 "[ . 1]"
6 CHI1 2 19 ILE N 2 19 ILE CA 2 19 ILE CB 2 19 ILE CG1 -90.00 -30.00 -62.32 -64.50 -58.86 . . 0 "[ . 1]"
7 CHI1 1 21 ILE N 1 21 ILE CA 1 21 ILE CB 1 21 ILE CG1 -90.00 -30.00 -88.69 -88.72 -88.88 0.29 5 0 "[ . 1]"
8 CHI1 2 21 ILE N 2 21 ILE CA 2 21 ILE CB 2 21 ILE CG1 -90.00 -30.00 -88.67 -88.64 -88.74 0.48 5 0 "[ . 1]"
9 CHI1 1 23 ILE N 1 23 ILE CA 1 23 ILE CB 1 23 ILE CG1 -90.00 -30.00 -91.26 -95.41 -89.35 5.41 10 2 "[ .- +]"
10 CHI1 2 23 ILE N 2 23 ILE CA 2 23 ILE CB 2 23 ILE CG1 -90.00 -30.00 -91.00 -93.88 -89.10 3.88 6 0 "[ . 1]"
11 CHI1 1 27 ILE N 1 27 ILE CA 1 27 ILE CB 1 27 ILE CG1 -90.00 -30.00 -90.74 -90.65 -90.83 1.14 8 0 "[ . 1]"
12 CHI1 2 27 ILE N 2 27 ILE CA 2 27 ILE CB 2 27 ILE CG1 -90.00 -30.00 -90.69 -90.58 -90.77 1.40 8 0 "[ . 1]"
13 CHI1 1 24 VAL N 1 24 VAL CA 1 24 VAL CB 1 24 VAL CG1 150.00 -150.00 166.12 167.58 166.87 . . 0 "[ . 1]"
14 CHI1 2 24 VAL N 2 24 VAL CA 2 24 VAL CB 2 24 VAL CG1 150.00 -150.00 165.67 167.52 167.24 . . 0 "[ . 1]"
15 CHI1 1 11 MET N 1 11 MET CA 1 11 MET CB 1 11 MET CG -90.00 -30.00 -90.64 -92.64 -89.84 2.64 9 0 "[ . 1]"
16 CHI1 2 11 MET N 2 11 MET CA 2 11 MET CB 2 11 MET CG -90.00 -30.00 -90.71 -92.50 -90.09 2.50 9 0 "[ . 1]"
17 CHI1 1 18 LEU N 1 18 LEU CA 1 18 LEU CB 1 18 LEU CG -90.00 -30.00 -80.64 -78.06 -79.58 . . 0 "[ . 1]"
18 CHI1 2 18 LEU N 2 18 LEU CA 2 18 LEU CB 2 18 LEU CG -90.00 -30.00 -80.27 -80.01 -80.73 . . 0 "[ . 1]"
19 CHI1 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG -90.00 -30.00 -84.98 -90.69 -90.97 1.32 1 0 "[ . 1]"
20 CHI1 2 25 LEU N 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG -90.00 -30.00 -85.41 -90.59 -90.87 1.40 1 0 "[ . 1]"
21 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 150.00 -150.00 173.54 173.87 172.77 . . 0 "[ . 1]"
22 CHI1 2 28 HIS N 2 28 HIS CA 2 28 HIS CB 2 28 HIS CG 150.00 -150.00 173.70 173.89 172.23 . . 0 "[ . 1]"
23 CHI2 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG 1 25 LEU CD1 150.00 -150.00 -175.74 -179.07 -170.45 . . 0 "[ . 1]"
24 CHI2 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG 2 25 LEU CD1 150.00 -150.00 -176.33 -179.51 -171.51 . . 0 "[ . 1]"
25 PHI 1 2 ASP C 1 3 SER N 1 3 SER CA 1 3 SER C -137.20 -67.20 -109.72 -117.02 -128.11 . . 0 "[ . 1]"
26 PHI 2 2 ASP C 2 3 SER N 2 3 SER CA 2 3 SER C -137.20 -67.20 -109.73 -117.99 -128.46 . . 0 "[ . 1]"
27 PSI 1 3 SER N 1 3 SER CA 1 3 SER C 1 4 ALA N -40.00 55.30 36.63 34.91 38.32 . . 0 "[ . 1]"
28 PSI 2 3 SER N 2 3 SER CA 2 3 SER C 2 4 ALA N -40.00 55.30 36.50 34.55 38.33 . . 0 "[ . 1]"
29 PHI 1 3 SER C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -97.40 -9.70 -70.23 -71.86 -68.99 . . 0 "[ . 1]"
30 PHI 2 3 SER C 2 4 ALA N 2 4 ALA CA 2 4 ALA C -97.40 -9.70 -70.37 -71.80 -69.72 . . 0 "[ . 1]"
31 PSI 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 PRO N -82.40 -5.00 -60.43 -60.96 -60.06 . . 0 "[ . 1]"
32 PSI 2 4 ALA N 2 4 ALA CA 2 4 ALA C 2 5 PRO N -82.40 -5.00 -60.42 -60.86 -60.05 . . 0 "[ . 1]"
33 PHI 1 5 PRO C 1 6 PHE N 1 6 PHE CA 1 6 PHE C -84.60 -44.60 -73.88 -61.97 -67.60 . . 0 "[ . 1]"
34 PHI 2 5 PRO C 2 6 PHE N 2 6 PHE CA 2 6 PHE C -84.60 -44.60 -73.98 -61.96 -67.82 . . 0 "[ . 1]"
35 PSI 1 6 PHE N 1 6 PHE CA 1 6 PHE C 1 7 GLU N -57.10 -17.10 -34.20 -26.46 -33.47 . . 0 "[ . 1]"
36 PSI 2 6 PHE N 2 6 PHE CA 2 6 PHE C 2 7 GLU N -57.10 -17.10 -34.43 -26.99 -33.63 . . 0 "[ . 1]"
37 PHI 1 6 PHE C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -84.60 -44.60 -60.26 -68.69 -55.23 . . 0 "[ . 1]"
38 PHI 2 6 PHE C 2 7 GLU N 2 7 GLU CA 2 7 GLU C -84.60 -44.60 -60.15 -67.82 -55.23 . . 0 "[ . 1]"
39 PSI 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 LEU N -57.90 -17.90 -42.56 -52.98 -34.11 . . 0 "[ . 1]"
40 PSI 2 7 GLU N 2 7 GLU CA 2 7 GLU C 2 8 LEU N -57.90 -17.90 -43.17 -53.97 -34.80 . . 0 "[ . 1]"
41 PHI 1 7 GLU C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -85.00 -45.00 -53.51 -51.45 -52.33 . . 0 "[ . 1]"
42 PHI 2 7 GLU C 2 8 LEU N 2 8 LEU CA 2 8 LEU C -85.00 -45.00 -53.97 -51.32 -52.59 . . 0 "[ . 1]"
43 PSI 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 PHE N -61.20 -21.20 -37.94 -42.79 -35.51 . . 0 "[ . 1]"
44 PSI 2 8 LEU N 2 8 LEU CA 2 8 LEU C 2 9 PHE N -61.20 -21.20 -38.03 -42.85 -35.55 . . 0 "[ . 1]"
45 PHI 1 8 LEU C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -85.50 -45.50 -50.18 -49.63 -49.95 . . 0 "[ . 1]"
46 PHI 2 8 LEU C 2 9 PHE N 2 9 PHE CA 2 9 PHE C -85.50 -45.50 -50.07 -49.76 -50.19 . . 0 "[ . 1]"
47 PSI 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 PHE N -61.90 -21.90 -42.43 -49.84 -34.22 . . 0 "[ . 1]"
48 PSI 2 9 PHE N 2 9 PHE CA 2 9 PHE C 2 10 PHE N -61.90 -21.90 -42.67 -49.44 -34.20 . . 0 "[ . 1]"
49 PHI 1 9 PHE C 1 10 PHE N 1 10 PHE CA 1 10 PHE C -84.50 -44.50 -76.47 -68.51 -74.28 . . 0 "[ . 1]"
50 PHI 2 9 PHE C 2 10 PHE N 2 10 PHE CA 2 10 PHE C -84.50 -44.50 -76.16 -77.53 -80.23 0.25 9 0 "[ . 1]"
51 PSI 1 10 PHE N 1 10 PHE CA 1 10 PHE C 1 11 MET N -61.80 -16.30 -28.60 -39.05 -25.93 . . 0 "[ . 1]"
52 PSI 2 10 PHE N 2 10 PHE CA 2 10 PHE C 2 11 MET N -61.80 -16.30 -29.18 -39.59 -25.99 . . 0 "[ . 1]"
53 PHI 1 10 PHE C 1 11 MET N 1 11 MET CA 1 11 MET C -87.80 -47.80 -69.44 -57.17 -69.47 . . 0 "[ . 1]"
54 PHI 2 10 PHE C 2 11 MET N 2 11 MET CA 2 11 MET C -87.80 -47.80 -68.55 -56.57 -63.62 . . 0 "[ . 1]"
55 PSI 1 11 MET N 1 11 MET CA 1 11 MET C 1 12 ILE N -59.90 -19.90 -36.09 -58.73 -24.93 . . 0 "[ . 1]"
56 PSI 2 11 MET N 2 11 MET CA 2 11 MET C 2 12 ILE N -59.90 -19.90 -35.91 -56.45 -23.49 . . 0 "[ . 1]"
57 PHI 1 11 MET C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -84.10 -44.10 -78.92 -84.41 -84.98 0.88 1 0 "[ . 1]"
58 PHI 2 11 MET C 2 12 ILE N 2 12 ILE CA 2 12 ILE C -84.10 -44.10 -79.30 -84.31 -84.59 0.49 1 0 "[ . 1]"
59 PSI 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 ASN N -62.60 -22.60 -51.95 -55.54 -57.47 . . 0 "[ . 1]"
60 PSI 2 12 ILE N 2 12 ILE CA 2 12 ILE C 2 13 ASN N -62.60 -22.60 -52.01 -54.79 -56.35 . . 0 "[ . 1]"
61 PHI 1 12 ILE C 1 13 ASN N 1 13 ASN CA 1 13 ASN C -82.40 -42.40 -52.39 -50.44 -51.33 . . 0 "[ . 1]"
62 PHI 2 12 ILE C 2 13 ASN N 2 13 ASN CA 2 13 ASN C -82.40 -42.40 -52.54 -50.13 -51.26 . . 0 "[ . 1]"
63 PSI 1 13 ASN N 1 13 ASN CA 1 13 ASN C 1 14 THR N -62.70 -22.70 -54.91 -50.88 -54.12 . . 0 "[ . 1]"
64 PSI 2 13 ASN N 2 13 ASN CA 2 13 ASN C 2 14 THR N -62.70 -22.70 -54.68 -50.01 -53.56 . . 0 "[ . 1]"
65 PHI 1 13 ASN C 1 14 THR N 1 14 THR CA 1 14 THR C -81.30 -41.30 -56.03 -51.63 -52.66 . . 0 "[ . 1]"
66 PHI 2 13 ASN C 2 14 THR N 2 14 THR CA 2 14 THR C -81.30 -41.30 -55.78 -50.88 -52.08 . . 0 "[ . 1]"
67 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 SER N -59.80 -19.80 -26.92 -34.16 -20.89 . . 0 "[ . 1]"
68 PSI 2 14 THR N 2 14 THR CA 2 14 THR C 2 15 SER N -59.80 -19.80 -27.55 -33.54 -22.17 . . 0 "[ . 1]"
69 PHI 1 14 THR C 1 15 SER N 1 15 SER CA 1 15 SER C -82.40 -42.40 -70.17 -69.44 -69.91 . . 0 "[ . 1]"
70 PHI 2 14 THR C 2 15 SER N 2 15 SER CA 2 15 SER C -82.40 -42.40 -69.86 -70.00 -70.09 . . 0 "[ . 1]"
71 PSI 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 ILE N -62.80 -22.80 -63.83 -64.17 -63.23 1.37 9 0 "[ . 1]"
72 PSI 2 15 SER N 2 15 SER CA 2 15 SER C 2 16 ILE N -62.80 -22.80 -63.77 -64.30 -63.05 1.50 9 0 "[ . 1]"
73 PHI 1 15 SER C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -83.00 -43.00 -52.10 -50.54 -51.04 . . 0 "[ . 1]"
74 PHI 2 15 SER C 2 16 ILE N 2 16 ILE CA 2 16 ILE C -83.00 -43.00 -52.33 -54.04 -49.41 . . 0 "[ . 1]"
75 PSI 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 LEU N -64.30 -24.30 -27.21 -29.46 -24.29 0.01 3 0 "[ . 1]"
76 PSI 2 16 ILE N 2 16 ILE CA 2 16 ILE C 2 17 LEU N -64.30 -24.30 -26.89 -28.04 -28.21 0.08 3 0 "[ . 1]"
77 PHI 1 16 ILE C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -82.90 -41.80 -82.86 -82.54 -82.71 0.23 8 0 "[ . 1]"
78 PHI 2 16 ILE C 2 17 LEU N 2 17 LEU CA 2 17 LEU C -82.90 -41.80 -82.91 -83.34 -82.38 0.44 10 0 "[ . 1]"
79 PSI 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 LEU N -61.90 -21.90 -58.10 -59.71 -54.05 . . 0 "[ . 1]"
80 PSI 2 17 LEU N 2 17 LEU CA 2 17 LEU C 2 18 LEU N -61.90 -21.90 -58.04 -61.09 -54.31 . . 0 "[ . 1]"
81 PHI 1 17 LEU C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -84.90 -44.90 -50.62 -52.00 -49.02 . . 0 "[ . 1]"
82 PHI 2 17 LEU C 2 18 LEU N 2 18 LEU CA 2 18 LEU C -84.90 -44.90 -50.80 -51.02 -51.54 . . 0 "[ . 1]"
83 PSI 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 ILE N -54.70 -14.70 -37.46 -36.30 -36.72 . . 0 "[ . 1]"
84 PSI 2 18 LEU N 2 18 LEU CA 2 18 LEU C 2 19 ILE N -54.70 -14.70 -37.68 -36.06 -36.60 . . 0 "[ . 1]"
85 PHI 1 18 LEU C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -83.40 -43.40 -59.81 -62.43 -50.70 . . 0 "[ . 1]"
86 PHI 2 18 LEU C 2 19 ILE N 2 19 ILE CA 2 19 ILE C -83.40 -43.40 -59.57 -64.03 -51.63 . . 0 "[ . 1]"
87 PSI 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 PHE N -61.00 -21.00 -64.83 -66.25 -63.61 5.25 6 2 "[ .+ -]"
88 PSI 2 19 ILE N 2 19 ILE CA 2 19 ILE C 2 20 PHE N -61.00 -21.00 -64.72 -65.98 -63.76 4.98 6 0 "[ . 1]"
89 PHI 1 19 ILE C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -83.00 -43.00 -61.70 -62.20 -62.83 . . 0 "[ . 1]"
90 PHI 2 19 ILE C 2 20 PHE N 2 20 PHE CA 2 20 PHE C -83.00 -43.00 -61.86 -62.60 -62.87 . . 0 "[ . 1]"
91 PSI 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 ILE N -64.30 -24.30 -25.89 -24.15 -24.29 0.26 8 0 "[ . 1]"
92 PSI 2 20 PHE N 2 20 PHE CA 2 20 PHE C 2 21 ILE N -64.30 -24.30 -25.47 -24.26 -24.33 0.10 8 0 "[ . 1]"
93 PHI 1 20 PHE C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -84.10 -44.10 -70.47 -74.24 -60.56 . . 0 "[ . 1]"
94 PHI 2 20 PHE C 2 21 ILE N 2 21 ILE CA 2 21 ILE C -84.10 -44.10 -70.85 -73.29 -62.97 . . 0 "[ . 1]"
95 PSI 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 PHE N -60.80 -20.80 -51.78 -57.78 -45.37 . . 0 "[ . 1]"
96 PSI 2 21 ILE N 2 21 ILE CA 2 21 ILE C 2 22 PHE N -60.80 -20.80 -51.54 -58.71 -44.88 . . 0 "[ . 1]"
97 PHI 1 21 ILE C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -82.90 -42.90 -71.73 -80.07 -62.29 . . 0 "[ . 1]"
98 PHI 2 21 ILE C 2 22 PHE N 2 22 PHE CA 2 22 PHE C -82.90 -42.90 -71.78 -80.67 -62.27 . . 0 "[ . 1]"
99 PSI 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ILE N -61.80 -21.80 -44.60 -52.36 -52.87 . . 0 "[ . 1]"
100 PSI 2 22 PHE N 2 22 PHE CA 2 22 PHE C 2 23 ILE N -61.80 -21.80 -44.72 -52.25 -53.05 . . 0 "[ . 1]"
101 PHI 1 22 PHE C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -82.20 -42.20 -56.80 -80.06 -49.20 . . 0 "[ . 1]"
102 PHI 2 22 PHE C 2 23 ILE N 2 23 ILE CA 2 23 ILE C -82.20 -42.20 -56.94 -80.28 -47.00 . . 0 "[ . 1]"
103 PSI 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 VAL N -66.40 -26.40 -42.95 -49.20 -50.28 . . 0 "[ . 1]"
104 PSI 2 23 ILE N 2 23 ILE CA 2 23 ILE C 2 24 VAL N -66.40 -26.40 -42.98 -48.37 -50.47 . . 0 "[ . 1]"
105 PHI 1 23 ILE C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -81.00 -41.00 -72.04 -81.63 -65.97 0.63 5 0 "[ . 1]"
106 PHI 2 23 ILE C 2 24 VAL N 2 24 VAL CA 2 24 VAL C -81.00 -41.00 -72.51 -81.82 -66.56 0.82 5 0 "[ . 1]"
107 PSI 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 LEU N -64.20 -24.20 -40.65 -38.71 -40.92 . . 0 "[ . 1]"
108 PSI 2 24 VAL N 2 24 VAL CA 2 24 VAL C 2 25 LEU N -64.20 -24.20 -40.14 -39.42 -41.42 . . 0 "[ . 1]"
109 PHI 1 24 VAL C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -80.90 -40.90 -58.60 -71.02 -51.24 . . 0 "[ . 1]"
110 PHI 2 24 VAL C 2 25 LEU N 2 25 LEU CA 2 25 LEU C -80.90 -40.90 -58.90 -69.63 -53.14 . . 0 "[ . 1]"
111 PSI 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 LEU N -60.30 -20.30 -35.90 -36.55 -38.19 . . 0 "[ . 1]"
112 PSI 2 25 LEU N 2 25 LEU CA 2 25 LEU C 2 26 LEU N -60.30 -20.30 -35.59 -35.09 -36.31 . . 0 "[ . 1]"
113 PHI 1 25 LEU C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -81.70 -41.70 -55.26 -58.64 -51.55 . . 0 "[ . 1]"
114 PHI 2 25 LEU C 2 26 LEU N 2 26 LEU CA 2 26 LEU C -81.70 -41.70 -55.19 -58.76 -51.78 . . 0 "[ . 1]"
115 PSI 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 ILE N -66.10 -26.10 -50.30 -50.54 -57.93 . . 0 "[ . 1]"
116 PSI 2 26 LEU N 2 26 LEU CA 2 26 LEU C 2 27 ILE N -66.10 -26.10 -49.90 -50.06 -56.79 . . 0 "[ . 1]"
117 PHI 1 26 LEU C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -83.50 -43.50 -64.71 -69.86 -52.60 . . 0 "[ . 1]"
118 PHI 2 26 LEU C 2 27 ILE N 2 27 ILE CA 2 27 ILE C -83.50 -43.50 -65.02 -69.52 -53.32 . . 0 "[ . 1]"
119 PSI 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 HIS N -60.20 -20.20 -50.85 -52.29 -49.69 . . 0 "[ . 1]"
120 PSI 2 27 ILE N 2 27 ILE CA 2 27 ILE C 2 28 HIS N -60.20 -20.20 -51.06 -52.69 -49.30 . . 0 "[ . 1]"
121 PHI 1 27 ILE C 1 28 HIS N 1 28 HIS CA 1 28 HIS C -81.20 -41.20 -48.94 -50.31 -46.90 . . 0 "[ . 1]"
122 PHI 2 27 ILE C 2 28 HIS N 2 28 HIS CA 2 28 HIS C -81.20 -41.20 -49.01 -49.81 -46.98 . . 0 "[ . 1]"
123 PSI 1 28 HIS N 1 28 HIS CA 1 28 HIS C 1 29 PHE N -62.90 -22.90 -33.09 -32.65 -34.28 . . 0 "[ . 1]"
124 PSI 2 28 HIS N 2 28 HIS CA 2 28 HIS C 2 29 PHE N -62.90 -22.90 -32.85 -32.60 -33.68 . . 0 "[ . 1]"
125 PHI 1 28 HIS C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -91.90 -51.90 -96.50 -95.58 -96.64 6.20 10 5 "[* -* * +]"
126 PHI 2 28 HIS C 2 29 PHE N 2 29 PHE CA 2 29 PHE C -91.90 -51.90 -96.13 -95.23 -96.32 6.80 10 3 "[ - * +]"
127 PSI 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 GLU N -54.40 -14.40 -22.75 -26.39 -18.94 . . 0 "[ . 1]"
128 PSI 2 29 PHE N 2 29 PHE CA 2 29 PHE C 2 30 GLU N -54.40 -14.40 -23.37 -26.27 -19.50 . . 0 "[ . 1]"
129 PHI 1 29 PHE C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -114.30 -74.30 -72.64 -80.17 -68.88 5.42 10 1 "[ . +]"
130 PHI 2 29 PHE C 2 30 GLU N 2 30 GLU CA 2 30 GLU C -114.30 -74.30 -72.99 -79.84 -68.75 5.55 10 1 "[ . +]"
131 PSI 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 GLY N -21.50 26.80 -0.19 0.76 -1.37 . . 0 "[ . 1]"
132 PSI 2 30 GLU N 2 30 GLU CA 2 30 GLU C 2 31 GLY N -21.50 26.80 0.15 0.43 -0.70 . . 0 "[ . 1]"
133 PHI 1 30 GLU C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 34.30 116.70 125.60 123.70 127.25 10.55 10 10 [**-******+]
134 PHI 2 30 GLU C 2 31 GLY N 2 31 GLY CA 2 31 GLY C 34.30 116.70 125.80 125.90 125.82 10.65 10 10 [**-******+]
135 PSI 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 TRP N -22.20 58.70 50.15 48.59 46.86 . . 0 "[ . 1]"
136 PSI 2 31 GLY N 2 31 GLY CA 2 31 GLY C 2 32 TRP N -22.20 58.70 49.56 48.74 46.14 . . 0 "[ . 1]"
137 PHI 2 2 ASP C 2 3 SER N 2 3 SER CA 2 3 SER C -137.20 -67.20 -109.73 -117.99 -128.46 . . 0 "[ . 1]"
138 PHI 2 3 SER C 2 4 ALA N 2 4 ALA CA 2 4 ALA C -97.40 -9.70 -70.37 -71.80 -69.72 . . 0 "[ . 1]"
139 PSI 2 3 SER N 2 3 SER CA 2 3 SER C 2 4 ALA N -40.00 55.30 36.50 34.55 38.33 . . 0 "[ . 1]"
140 PSI 2 4 ALA N 2 4 ALA CA 2 4 ALA C 2 5 PRO N -82.40 -5.00 -60.42 -60.86 -60.05 . . 0 "[ . 1]"
141 PHI 2 5 PRO C 2 6 PHE N 2 6 PHE CA 2 6 PHE C -84.60 -44.60 -73.98 -61.96 -67.82 . . 0 "[ . 1]"
142 PHI 2 6 PHE C 2 7 GLU N 2 7 GLU CA 2 7 GLU C -84.60 -44.60 -60.15 -67.82 -55.23 . . 0 "[ . 1]"
143 PSI 2 6 PHE N 2 6 PHE CA 2 6 PHE C 2 7 GLU N -57.10 -17.10 -34.43 -26.99 -33.63 . . 0 "[ . 1]"
144 PHI 2 7 GLU C 2 8 LEU N 2 8 LEU CA 2 8 LEU C -85.00 -45.00 -53.97 -51.32 -52.59 . . 0 "[ . 1]"
145 PSI 2 7 GLU N 2 7 GLU CA 2 7 GLU C 2 8 LEU N -57.90 -17.90 -43.17 -53.97 -34.80 . . 0 "[ . 1]"
146 PHI 2 8 LEU C 2 9 PHE N 2 9 PHE CA 2 9 PHE C -85.50 -45.50 -50.07 -49.76 -50.19 . . 0 "[ . 1]"
147 PSI 2 8 LEU N 2 8 LEU CA 2 8 LEU C 2 9 PHE N -61.20 -21.20 -38.03 -42.85 -35.55 . . 0 "[ . 1]"
148 PHI 2 9 PHE C 2 10 PHE N 2 10 PHE CA 2 10 PHE C -84.50 -44.50 -76.16 -77.53 -80.23 0.25 9 0 "[ . 1]"
149 PSI 2 9 PHE N 2 9 PHE CA 2 9 PHE C 2 10 PHE N -61.90 -21.90 -42.67 -49.44 -34.20 . . 0 "[ . 1]"
150 CHI1 2 11 MET N 2 11 MET CA 2 11 MET CB 2 11 MET CG -90.00 -30.00 -90.71 -92.50 -90.09 2.50 9 0 "[ . 1]"
151 PSI 2 10 PHE N 2 10 PHE CA 2 10 PHE C 2 11 MET N -61.80 -16.30 -29.18 -39.59 -25.99 . . 0 "[ . 1]"
152 PHI 2 10 PHE C 2 11 MET N 2 11 MET CA 2 11 MET C -87.80 -47.80 -68.55 -56.57 -63.62 . . 0 "[ . 1]"
153 CHI1 2 12 ILE N 2 12 ILE CA 2 12 ILE CB 2 12 ILE CG1 -90.00 -30.00 -65.78 -65.77 -66.70 . . 0 "[ . 1]"
154 PSI 2 11 MET N 2 11 MET CA 2 11 MET C 2 12 ILE N -59.90 -19.90 -35.91 -56.45 -23.49 . . 0 "[ . 1]"
155 PHI 2 11 MET C 2 12 ILE N 2 12 ILE CA 2 12 ILE C -84.10 -44.10 -79.30 -84.31 -84.59 0.49 1 0 "[ . 1]"
156 PHI 2 12 ILE C 2 13 ASN N 2 13 ASN CA 2 13 ASN C -82.40 -42.40 -52.54 -50.13 -51.26 . . 0 "[ . 1]"
157 PSI 2 12 ILE N 2 12 ILE CA 2 12 ILE C 2 13 ASN N -62.60 -22.60 -52.01 -54.79 -56.35 . . 0 "[ . 1]"
158 PHI 2 13 ASN C 2 14 THR N 2 14 THR CA 2 14 THR C -81.30 -41.30 -55.78 -50.88 -52.08 . . 0 "[ . 1]"
159 PSI 2 13 ASN N 2 13 ASN CA 2 13 ASN C 2 14 THR N -62.70 -22.70 -54.68 -50.01 -53.56 . . 0 "[ . 1]"
160 PHI 2 14 THR C 2 15 SER N 2 15 SER CA 2 15 SER C -82.40 -42.40 -69.86 -70.00 -70.09 . . 0 "[ . 1]"
161 PSI 2 14 THR N 2 14 THR CA 2 14 THR C 2 15 SER N -59.80 -19.80 -27.55 -33.54 -22.17 . . 0 "[ . 1]"
162 CHI1 2 16 ILE N 2 16 ILE CA 2 16 ILE CB 2 16 ILE CG1 -90.00 -30.00 -58.22 -58.63 -58.85 . . 0 "[ . 1]"
163 PHI 2 15 SER C 2 16 ILE N 2 16 ILE CA 2 16 ILE C -83.00 -43.00 -52.33 -54.04 -49.41 . . 0 "[ . 1]"
164 PSI 2 15 SER N 2 15 SER CA 2 15 SER C 2 16 ILE N -62.80 -22.80 -63.77 -64.30 -63.05 1.50 9 0 "[ . 1]"
165 PHI 2 16 ILE C 2 17 LEU N 2 17 LEU CA 2 17 LEU C -82.90 -41.80 -82.91 -83.34 -82.38 0.44 10 0 "[ . 1]"
166 PSI 2 16 ILE N 2 16 ILE CA 2 16 ILE C 2 17 LEU N -64.30 -24.30 -26.89 -28.04 -28.21 0.08 3 0 "[ . 1]"
167 PSI 2 17 LEU N 2 17 LEU CA 2 17 LEU C 2 18 LEU N -61.90 -21.90 -58.04 -61.09 -54.31 . . 0 "[ . 1]"
168 CHI1 2 18 LEU N 2 18 LEU CA 2 18 LEU CB 2 18 LEU CG -90.00 -30.00 -80.27 -80.01 -80.73 . . 0 "[ . 1]"
169 PHI 2 17 LEU C 2 18 LEU N 2 18 LEU CA 2 18 LEU C -84.90 -44.90 -50.80 -51.02 -51.54 . . 0 "[ . 1]"
170 CHI1 2 19 ILE N 2 19 ILE CA 2 19 ILE CB 2 19 ILE CG1 -90.00 -30.00 -62.32 -64.50 -58.86 . . 0 "[ . 1]"
171 PHI 2 18 LEU C 2 19 ILE N 2 19 ILE CA 2 19 ILE C -83.40 -43.40 -59.57 -64.03 -51.63 . . 0 "[ . 1]"
172 PSI 2 18 LEU N 2 18 LEU CA 2 18 LEU C 2 19 ILE N -54.70 -14.70 -37.68 -36.06 -36.60 . . 0 "[ . 1]"
173 PHI 2 19 ILE C 2 20 PHE N 2 20 PHE CA 2 20 PHE C -83.00 -43.00 -61.86 -62.60 -62.87 . . 0 "[ . 1]"
174 PSI 2 19 ILE N 2 19 ILE CA 2 19 ILE C 2 20 PHE N -61.00 -21.00 -64.72 -65.98 -63.76 4.98 6 0 "[ . 1]"
175 CHI1 2 21 ILE N 2 21 ILE CA 2 21 ILE CB 2 21 ILE CG1 -90.00 -30.00 -88.67 -88.64 -88.74 0.48 5 0 "[ . 1]"
176 PSI 2 20 PHE N 2 20 PHE CA 2 20 PHE C 2 21 ILE N -64.30 -24.30 -25.47 -24.26 -24.33 0.10 8 0 "[ . 1]"
177 PHI 2 20 PHE C 2 21 ILE N 2 21 ILE CA 2 21 ILE C -84.10 -44.10 -70.85 -73.29 -62.97 . . 0 "[ . 1]"
178 PHI 2 21 ILE C 2 22 PHE N 2 22 PHE CA 2 22 PHE C -82.90 -42.90 -71.78 -80.67 -62.27 . . 0 "[ . 1]"
179 PSI 2 21 ILE N 2 21 ILE CA 2 21 ILE C 2 22 PHE N -60.80 -20.80 -51.54 -58.71 -44.88 . . 0 "[ . 1]"
180 PHI 2 22 PHE C 2 23 ILE N 2 23 ILE CA 2 23 ILE C -82.20 -42.20 -56.94 -80.28 -47.00 . . 0 "[ . 1]"
181 CHI1 2 23 ILE N 2 23 ILE CA 2 23 ILE CB 2 23 ILE CG1 -90.00 -30.00 -91.00 -93.88 -89.10 3.88 6 0 "[ . 1]"
182 PSI 2 22 PHE N 2 22 PHE CA 2 22 PHE C 2 23 ILE N -61.80 -21.80 -44.72 -52.25 -53.05 . . 0 "[ . 1]"
183 CHI1 2 24 VAL N 2 24 VAL CA 2 24 VAL CB 2 24 VAL CG1 150.00 -150.00 165.67 167.52 167.24 . . 0 "[ . 1]"
184 PSI 2 23 ILE N 2 23 ILE CA 2 23 ILE C 2 24 VAL N -66.40 -26.40 -42.98 -48.37 -50.47 . . 0 "[ . 1]"
185 PHI 2 23 ILE C 2 24 VAL N 2 24 VAL CA 2 24 VAL C -81.00 -41.00 -72.51 -81.82 -66.56 0.82 5 0 "[ . 1]"
186 CHI2 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG 2 25 LEU CD1 150.00 -150.00 -176.33 -179.51 -171.51 . . 0 "[ . 1]"
187 CHI1 2 25 LEU N 2 25 LEU CA 2 25 LEU CB 2 25 LEU CG -90.00 -30.00 -85.41 -90.59 -90.87 1.40 1 0 "[ . 1]"
188 PHI 2 24 VAL C 2 25 LEU N 2 25 LEU CA 2 25 LEU C -80.90 -40.90 -58.90 -69.63 -53.14 . . 0 "[ . 1]"
189 PSI 2 24 VAL N 2 24 VAL CA 2 24 VAL C 2 25 LEU N -64.20 -24.20 -40.14 -39.42 -41.42 . . 0 "[ . 1]"
190 PHI 2 25 LEU C 2 26 LEU N 2 26 LEU CA 2 26 LEU C -81.70 -41.70 -55.19 -58.76 -51.78 . . 0 "[ . 1]"
191 PSI 2 25 LEU N 2 25 LEU CA 2 25 LEU C 2 26 LEU N -60.30 -20.30 -35.59 -35.09 -36.31 . . 0 "[ . 1]"
192 CHI1 2 27 ILE N 2 27 ILE CA 2 27 ILE CB 2 27 ILE CG1 -90.00 -30.00 -90.69 -90.58 -90.77 1.40 8 0 "[ . 1]"
193 PSI 2 26 LEU N 2 26 LEU CA 2 26 LEU C 2 27 ILE N -66.10 -26.10 -49.90 -50.06 -56.79 . . 0 "[ . 1]"
194 PHI 2 26 LEU C 2 27 ILE N 2 27 ILE CA 2 27 ILE C -83.50 -43.50 -65.02 -69.52 -53.32 . . 0 "[ . 1]"
195 CHI1 2 28 HIS N 2 28 HIS CA 2 28 HIS CB 2 28 HIS CG 150.00 -150.00 173.70 173.89 172.23 . . 0 "[ . 1]"
196 PSI 2 27 ILE N 2 27 ILE CA 2 27 ILE C 2 28 HIS N -60.20 -20.20 -51.06 -52.69 -49.30 . . 0 "[ . 1]"
197 PHI 2 27 ILE C 2 28 HIS N 2 28 HIS CA 2 28 HIS C -81.20 -41.20 -49.01 -49.81 -46.98 . . 0 "[ . 1]"
198 PHI 2 28 HIS C 2 29 PHE N 2 29 PHE CA 2 29 PHE C -91.90 -51.90 -96.13 -95.23 -96.32 6.80 10 3 "[ - * +]"
199 PSI 2 28 HIS N 2 28 HIS CA 2 28 HIS C 2 29 PHE N -62.90 -22.90 -32.85 -32.60 -33.68 . . 0 "[ . 1]"
200 PHI 2 29 PHE C 2 30 GLU N 2 30 GLU CA 2 30 GLU C -114.30 -74.30 -72.99 -79.84 -68.75 5.55 10 1 "[ . +]"
201 PSI 2 29 PHE N 2 29 PHE CA 2 29 PHE C 2 30 GLU N -54.40 -14.40 -23.37 -26.27 -19.50 . . 0 "[ . 1]"
202 PHI 2 30 GLU C 2 31 GLY N 2 31 GLY CA 2 31 GLY C 34.30 116.70 125.80 125.90 125.82 10.65 10 10 [**-******+]
203 PSI 2 30 GLU N 2 30 GLU CA 2 30 GLU C 2 31 GLY N -21.50 26.80 0.15 0.43 -0.70 . . 0 "[ . 1]"
204 PSI 2 31 GLY N 2 31 GLY CA 2 31 GLY C 2 32 TRP N -22.20 58.70 49.56 48.74 46.14 . . 0 "[ . 1]"
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