NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561125 |
2m5b   |
19045 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m5b
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 218
_TA_constraint_stats_list.Viol_count 955
_TA_constraint_stats_list.Viol_total 17304.80
_TA_constraint_stats_list.Viol_max 9.16
_TA_constraint_stats_list.Viol_rms 0.64
_TA_constraint_stats_list.Viol_average_all_restraints 0.20
_TA_constraint_stats_list.Viol_average_violations_only 0.91
_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 PHI 1 1 ALA C 1 2 LEU N 1 2 LEU CA 1 2 LEU C -95.90 -58.20 -94.42 -99.26 -52.77 5.43 7 1 "[ . + 1 . 2]"
2 PSI 1 2 LEU N 1 2 LEU CA 1 2 LEU C 1 3 PRO N 108.30 177.70 158.92 158.28 157.89 . . 0 "[ . 1 . 2]"
3 PHI 1 6 SER C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -67.00 -47.00 -50.06 -51.94 -46.66 0.34 4 0 "[ . 1 . 2]"
4 PSI 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 GLU N -50.70 -27.60 -34.91 -33.42 -34.84 0.72 4 0 "[ . 1 . 2]"
5 PHI 1 7 GLU C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -73.10 -53.10 -56.59 -62.28 -52.32 0.78 6 0 "[ . 1 . 2]"
6 PSI 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 GLN N -50.80 -29.40 -51.07 -53.05 -40.56 2.25 2 0 "[ . 1 . 2]"
7 PHI 1 8 GLU C 1 9 GLN N 1 9 GLN CA 1 9 GLN C -74.30 -54.30 -74.79 -76.11 -72.53 1.81 7 0 "[ . 1 . 2]"
8 PSI 1 9 GLN N 1 9 GLN CA 1 9 GLN C 1 10 VAL N -51.90 -29.20 -28.44 -30.57 -26.25 2.95 6 0 "[ . 1 . 2]"
9 PHI 1 9 GLN C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -75.30 -55.30 -63.10 -59.64 -60.08 . . 0 "[ . 1 . 2]"
10 PSI 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 ALA N -55.00 -32.50 -42.30 -48.23 -35.86 . . 0 "[ . 1 . 2]"
11 PHI 1 10 VAL C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -72.10 -52.10 -57.61 -55.64 -56.69 0.10 20 0 "[ . 1 . 2]"
12 PSI 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 GLN N -49.60 -26.00 -52.38 -55.54 -50.66 5.94 6 1 "[ .+ 1 . 2]"
13 PHI 1 11 ALA C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -75.20 -55.20 -59.48 -56.37 -56.80 . . 0 "[ . 1 . 2]"
14 PSI 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 ASP N -55.60 -26.10 -46.16 -46.57 -47.14 . . 0 "[ . 1 . 2]"
15 PHI 1 12 GLN C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -78.00 -55.70 -64.45 -65.34 -62.69 . . 0 "[ . 1 . 2]"
16 PSI 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 THR N -51.30 -26.80 -30.75 -29.35 -30.03 2.06 18 0 "[ . 1 . 2]"
17 PHI 1 13 ASP C 1 14 THR N 1 14 THR CA 1 14 THR C -74.90 -54.90 -66.12 -75.47 -62.80 0.57 18 0 "[ . 1 . 2]"
18 PSI 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 GLU N -53.90 -33.90 -54.54 -56.71 -51.94 2.81 12 0 "[ . 1 . 2]"
19 PHI 1 14 THR C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -71.80 -48.60 -59.62 -63.35 -53.59 . . 0 "[ . 1 . 2]"
20 PSI 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLU N -55.60 -27.20 -43.83 -41.84 -42.38 . . 0 "[ . 1 . 2]"
21 PHI 1 15 GLU C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -78.00 -58.00 -64.08 -66.81 -61.85 . . 0 "[ . 1 . 2]"
22 PSI 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 VAL N -52.40 -25.50 -52.49 -52.87 -53.04 1.85 18 0 "[ . 1 . 2]"
23 PHI 1 16 GLU C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -73.40 -53.30 -62.08 -61.55 -62.03 . . 0 "[ . 1 . 2]"
24 PSI 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 PHE N -54.30 -34.30 -34.46 -37.72 -32.46 1.84 5 0 "[ . 1 . 2]"
25 PHI 1 17 VAL C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -70.00 -49.40 -63.10 -62.40 -62.55 . . 0 "[ . 1 . 2]"
26 PSI 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 ARG N -59.90 -15.40 -51.83 -58.01 -42.87 . . 0 "[ . 1 . 2]"
27 PHI 1 18 PHE C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -70.90 -50.50 -61.03 -56.68 -57.03 . . 0 "[ . 1 . 2]"
28 PSI 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 SER N -55.90 -35.90 -47.62 -51.07 -43.71 . . 0 "[ . 1 . 2]"
29 PHI 1 19 ARG C 1 20 SER N 1 20 SER CA 1 20 SER C -74.30 -52.90 -65.44 -68.53 -63.57 . . 0 "[ . 1 . 2]"
30 PSI 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 TYR N -50.60 -30.60 -37.28 -41.42 -44.93 0.23 6 0 "[ . 1 . 2]"
31 PHI 1 20 SER C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -79.40 -53.90 -61.40 -56.76 -57.30 . . 0 "[ . 1 . 2]"
32 PSI 1 21 TYR N 1 21 TYR CA 1 21 TYR C 1 22 VAL N -58.90 -30.60 -59.47 -59.85 -59.90 1.48 4 0 "[ . 1 . 2]"
33 PHI 1 21 TYR C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -75.10 -52.90 -60.86 -64.72 -57.44 . . 0 "[ . 1 . 2]"
34 PSI 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 PHE N -52.30 -30.70 -35.08 -39.11 -32.17 . . 0 "[ . 1 . 2]"
35 PHI 1 22 VAL C 1 23 PHE N 1 23 PHE CA 1 23 PHE C -79.50 -47.00 -67.74 -57.38 -62.44 . . 0 "[ . 1 . 2]"
36 PSI 1 23 PHE N 1 23 PHE CA 1 23 PHE C 1 24 TYR N -58.90 -23.00 -39.21 -44.82 -46.08 . . 0 "[ . 1 . 2]"
37 PHI 1 23 PHE C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -73.20 -53.10 -70.64 -73.86 -67.19 0.66 9 0 "[ . 1 . 2]"
38 PSI 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 ARG N -52.30 -32.30 -44.87 -52.59 -37.31 0.29 2 0 "[ . 1 . 2]"
39 PHI 1 24 TYR C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -73.20 -53.20 -63.36 -52.99 -53.14 0.21 2 0 "[ . 1 . 2]"
40 PSI 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 HIS N -49.60 -29.60 -44.31 -45.87 -46.82 0.61 10 0 "[ . 1 . 2]"
41 PHI 1 25 ARG C 1 26 HIS N 1 26 HIS CA 1 26 HIS C -72.20 -50.50 -71.07 -73.64 -63.96 1.44 13 0 "[ . 1 . 2]"
42 PSI 1 26 HIS N 1 26 HIS CA 1 26 HIS C 1 27 GLN N -59.90 -31.30 -36.79 -48.87 -30.78 0.52 19 0 "[ . 1 . 2]"
43 PHI 1 26 HIS C 1 27 GLN N 1 27 GLN CA 1 27 GLN C -72.70 -51.50 -53.68 -54.91 -56.61 0.21 16 0 "[ . 1 . 2]"
44 PSI 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 GLN N -56.40 -25.90 -45.26 -56.49 -25.40 0.50 12 0 "[ . 1 . 2]"
45 PHI 1 27 GLN C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -74.30 -54.30 -70.09 -76.18 -56.68 1.88 3 0 "[ . 1 . 2]"
46 PSI 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 GLU N -46.70 -26.70 -35.00 -47.72 -26.22 1.02 12 0 "[ . 1 . 2]"
47 PHI 1 28 GLN C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -73.60 -53.60 -62.34 -59.56 -70.85 0.36 12 0 "[ . 1 . 2]"
48 PSI 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 GLN N -55.00 -28.90 -30.57 -29.48 -32.79 2.54 3 0 "[ . 1 . 2]"
49 PHI 1 29 GLU C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -78.10 -53.00 -56.24 -73.60 -51.32 1.68 8 0 "[ . 1 . 2]"
50 PSI 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 GLU N -53.00 -29.00 -34.28 -53.14 -28.85 0.15 6 0 "[ . 1 . 2]"
51 PHI 1 30 GLN C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -77.50 -53.20 -66.93 -68.05 -69.68 0.11 4 0 "[ . 1 . 2]"
52 PSI 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 ALA N -59.50 -17.90 -41.07 -35.05 -39.94 0.06 17 0 "[ . 1 . 2]"
53 PHI 1 31 GLU C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -82.50 -52.60 -73.55 -85.05 -54.96 2.55 8 0 "[ . 1 . 2]"
54 PSI 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 GLU N -58.90 -9.40 -58.20 -63.13 -46.30 4.23 3 0 "[ . 1 . 2]"
55 PHI 1 36 ALA C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -96.60 -56.10 -80.68 -97.18 -55.58 0.58 6 0 "[ . 1 . 2]"
56 PSI 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 PRO N 117.00 173.60 160.77 159.83 162.37 . . 0 "[ . 1 . 2]"
57 PHI 1 42 GLU C 1 43 MET N 1 43 MET CA 1 43 MET C -74.40 -52.60 -63.78 -80.00 -51.72 5.60 4 1 "[ +. 1 . 2]"
58 PSI 1 43 MET N 1 43 MET CA 1 43 MET C 1 44 VAL N -55.60 1.60 -36.92 -61.57 -19.04 5.97 4 1 "[ +. 1 . 2]"
59 PHI 1 43 MET C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -94.80 -46.60 -74.82 -68.19 -70.43 6.11 4 1 "[ +. 1 . 2]"
60 PSI 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 THR N -45.30 -10.70 -31.73 -46.19 -6.72 3.98 14 0 "[ . 1 . 2]"
61 PHI 1 45 THR C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -124.50 -44.90 -108.36 -127.40 -43.29 2.90 3 0 "[ . 1 . 2]"
62 PSI 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 PRO N 85.30 -175.80 96.16 82.65 154.99 2.65 2 0 "[ . 1 . 2]"
63 PHI 1 47 PRO C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -148.30 -48.70 -83.90 -111.84 -51.20 . . 0 "[ . 1 . 2]"
64 PSI 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLN N 102.10 169.30 159.72 144.45 169.74 0.44 1 0 "[ . 1 . 2]"
65 PHI 1 48 LEU C 1 49 GLN N 1 49 GLN CA 1 49 GLN C -114.40 -47.00 -113.58 -115.91 -110.00 1.51 4 0 "[ . 1 . 2]"
66 PHI 1 50 PRO C 1 51 SER N 1 51 SER CA 1 51 SER C -113.00 -65.70 -95.76 -108.65 -66.38 . . 0 "[ . 1 . 2]"
67 PSI 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 SER N -37.80 14.90 5.30 14.85 -11.45 0.29 2 0 "[ . 1 . 2]"
68 PHI 1 51 SER C 1 52 SER N 1 52 SER CA 1 52 SER C -157.30 -46.60 -128.46 -146.77 -101.45 . . 0 "[ . 1 . 2]"
69 PSI 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 THR N 85.40 167.10 162.18 150.94 167.49 0.39 3 0 "[ . 1 . 2]"
70 PHI 1 52 SER C 1 53 THR N 1 53 THR CA 1 53 THR C -69.90 -47.30 -62.11 -54.39 -54.81 0.21 16 0 "[ . 1 . 2]"
71 PSI 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 MET N -55.20 -9.20 -29.80 -41.59 -16.43 . . 0 "[ . 1 . 2]"
72 PHI 1 55 GLY C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -89.20 -46.60 -77.25 -89.36 -58.92 0.16 14 0 "[ . 1 . 2]"
73 PSI 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 VAL N -50.80 -20.40 -24.48 -30.44 -19.13 1.27 16 0 "[ . 1 . 2]"
74 PHI 1 56 GLN C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -75.10 -55.10 -63.40 -75.28 -54.92 0.18 12 0 "[ . 1 . 2]"
75 PSI 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 GLY N -56.00 -29.10 -54.32 -54.48 -55.20 1.42 1 0 "[ . 1 . 2]"
76 PHI 1 57 VAL C 1 58 GLY N 1 58 GLY CA 1 58 GLY C -75.20 -52.50 -51.99 -51.26 -51.48 1.24 2 0 "[ . 1 . 2]"
77 PSI 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 ARG N -48.90 -28.10 -34.89 -44.21 -47.38 0.18 8 0 "[ . 1 . 2]"
78 PHI 1 58 GLY C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -81.30 -43.10 -59.00 -51.56 -53.50 . . 0 "[ . 1 . 2]"
79 PSI 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 GLN N -58.30 -30.90 -57.38 -54.32 -55.45 1.79 3 0 "[ . 1 . 2]"
80 PHI 1 59 ARG C 1 60 GLN N 1 60 GLN CA 1 60 GLN C -73.30 -49.10 -60.31 -65.69 -53.70 . . 0 "[ . 1 . 2]"
81 PSI 1 60 GLN N 1 60 GLN CA 1 60 GLN C 1 61 LEU N -50.70 -24.60 -50.68 -51.45 -51.73 1.78 9 0 "[ . 1 . 2]"
82 PHI 1 61 LEU C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -75.00 -52.80 -60.28 -60.42 -60.66 . . 0 "[ . 1 . 2]"
83 PSI 1 62 ALA N 1 62 ALA CA 1 62 ALA C 1 63 ILE N -50.30 -30.30 -29.46 -30.03 -28.42 1.88 19 0 "[ . 1 . 2]"
84 PHI 1 62 ALA C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -88.10 -46.90 -74.91 -75.37 -75.45 . . 0 "[ . 1 . 2]"
85 PSI 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 ILE N -52.60 -31.20 -53.12 -53.57 -53.91 2.15 4 0 "[ . 1 . 2]"
86 PHI 1 63 ILE C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -94.70 -57.80 -64.07 -68.81 -59.19 . . 0 "[ . 1 . 2]"
87 PSI 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 GLY N -64.50 3.30 -24.65 -22.23 -24.91 . . 0 "[ . 1 . 2]"
88 PHI 1 66 ASP C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -75.70 -55.70 -56.31 -55.13 -55.28 1.23 6 0 "[ . 1 . 2]"
89 PSI 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 ILE N -49.90 -26.40 -42.41 -46.40 -47.48 . . 0 "[ . 1 . 2]"
90 PHI 1 67 ASP C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -77.10 -50.20 -56.87 -52.36 -52.44 . . 0 "[ . 1 . 2]"
91 PHI 1 69 ASN C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -76.70 -50.30 -53.89 -60.28 -49.81 0.49 1 0 "[ . 1 . 2]"
92 PSI 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 ARG N -56.00 -31.80 -30.01 -25.97 -29.86 9.16 2 5 "[ + .* * 1 .- *]"
93 PHI 1 70 ARG C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -82.10 -51.80 -63.84 -86.35 -56.47 4.25 16 0 "[ . 1 . 2]"
94 PSI 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 TYR N -56.70 -14.90 -57.73 -58.21 -58.21 1.80 18 0 "[ . 1 . 2]"
95 PHI 1 72 TYR C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -78.10 -50.30 -72.57 -47.53 -79.89 4.28 8 0 "[ . 1 . 2]"
96 PSI 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 SER N -59.90 -6.50 -45.26 -29.92 -42.14 1.15 7 0 "[ . 1 . 2]"
97 PHI 1 73 ASP C 1 74 SER N 1 74 SER CA 1 74 SER C -80.70 -53.70 -58.07 -81.57 -51.71 1.99 1 0 "[ . 1 . 2]"
98 PSI 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 GLU N -53.80 -24.90 -44.32 -55.17 -26.07 1.37 9 0 "[ . 1 . 2]"
99 PHI 1 74 SER C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -77.30 -57.30 -70.79 -77.92 -78.13 1.81 7 0 "[ . 1 . 2]"
100 PSI 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 PHE N -50.20 -26.10 -29.10 -28.13 -30.53 1.11 13 0 "[ . 1 . 2]"
101 PHI 1 75 GLU C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -88.00 -47.70 -72.08 -89.56 -47.60 1.56 7 0 "[ . 1 . 2]"
102 PSI 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 GLN N -53.00 -32.80 -37.92 -46.14 -50.86 2.86 5 0 "[ . 1 . 2]"
103 PHI 1 76 PHE C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -76.40 -54.60 -69.78 -64.29 -66.31 0.28 9 0 "[ . 1 . 2]"
104 PSI 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 THR N -53.10 -22.10 -37.72 -33.51 -33.73 0.84 19 0 "[ . 1 . 2]"
105 PHI 1 77 GLN C 1 78 THR N 1 78 THR CA 1 78 THR C -87.30 -51.50 -54.48 -59.54 -50.68 0.82 5 0 "[ . 1 . 2]"
106 PSI 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 MET N -55.20 -22.10 -51.58 -52.18 -53.17 0.42 5 0 "[ . 1 . 2]"
107 PHI 1 78 THR C 1 79 MET N 1 79 MET CA 1 79 MET C -76.00 -52.60 -74.39 -73.91 -74.59 0.73 4 0 "[ . 1 . 2]"
108 PSI 1 79 MET N 1 79 MET CA 1 79 MET C 1 80 LEU N -54.10 -29.80 -35.42 -33.78 -34.71 1.01 8 0 "[ . 1 . 2]"
109 PHI 1 79 MET C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -75.10 -55.10 -58.14 -63.21 -54.66 0.44 1 0 "[ . 1 . 2]"
110 PSI 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 GLN N -50.40 -29.10 -37.29 -36.38 -37.08 0.06 4 0 "[ . 1 . 2]"
111 PHI 1 80 LEU C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -79.40 -52.60 -59.49 -59.53 -60.52 . . 0 "[ . 1 . 2]"
112 PSI 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 HIS N -55.40 -26.90 -25.73 -26.69 -24.57 2.33 12 0 "[ . 1 . 2]"
113 PHI 1 81 GLN C 1 82 HIS N 1 82 HIS CA 1 82 HIS C -92.80 -48.80 -74.93 -72.05 -75.34 . . 0 "[ . 1 . 2]"
114 PSI 1 82 HIS N 1 82 HIS CA 1 82 HIS C 1 83 LEU N -71.10 5.50 -40.52 -57.08 -8.49 . . 0 "[ . 1 . 2]"
115 PHI 1 85 PRO C 1 86 THR N 1 86 THR CA 1 86 THR C -138.70 -61.00 -138.29 -138.83 -138.88 0.54 20 0 "[ . 1 . 2]"
116 PSI 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 ALA N 154.00 -177.20 175.44 170.94 179.57 . . 0 "[ . 1 . 2]"
117 PHI 1 86 THR C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -76.30 -41.60 -75.94 -74.21 -74.75 2.13 7 0 "[ . 1 . 2]"
118 PSI 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 GLU N -55.60 -18.40 -28.28 -40.36 -18.43 . . 0 "[ . 1 . 2]"
119 PHI 1 87 ALA C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -84.50 -47.10 -75.46 -80.60 -83.35 0.30 12 0 "[ . 1 . 2]"
120 PSI 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ASN N -53.30 -14.80 -37.87 -38.59 -40.05 . . 0 "[ . 1 . 2]"
121 PHI 1 88 GLU C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -119.00 -69.20 -105.08 -104.97 -106.33 . . 0 "[ . 1 . 2]"
122 PSI 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 ALA N -51.20 34.10 10.41 6.90 16.79 . . 0 "[ . 1 . 2]"
123 PHI 1 89 ASN C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -68.60 -43.90 -49.28 -47.94 -48.35 . . 0 "[ . 1 . 2]"
124 PSI 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 TYR N -53.00 -25.20 -52.32 -51.40 -52.60 0.44 1 0 "[ . 1 . 2]"
125 PHI 1 90 ALA C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -76.50 -54.60 -69.00 -72.20 -64.74 . . 0 "[ . 1 . 2]"
126 PSI 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 GLU N -56.30 -28.80 -36.46 -37.37 -37.57 . . 0 "[ . 1 . 2]"
127 PHI 1 91 TYR C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -80.00 -46.30 -55.55 -56.26 -57.20 . . 0 "[ . 1 . 2]"
128 PSI 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 TYR N -54.90 -22.80 -40.61 -50.14 -31.69 . . 0 "[ . 1 . 2]"
129 PHI 1 92 GLU C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -117.20 -35.90 -84.95 -94.10 -75.14 . . 0 "[ . 1 . 2]"
130 PSI 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 PHE N -77.70 28.60 -48.35 -50.13 -51.83 . . 0 "[ . 1 . 2]"
131 PHI 1 93 TYR C 1 94 PHE N 1 94 PHE CA 1 94 PHE C -75.80 -55.80 -51.90 -52.14 -52.29 4.37 7 0 "[ . 1 . 2]"
132 PSI 1 94 PHE N 1 94 PHE CA 1 94 PHE C 1 95 THR N -54.30 -34.30 -53.03 -54.99 -49.57 0.69 3 0 "[ . 1 . 2]"
133 PHI 1 94 PHE C 1 95 THR N 1 95 THR CA 1 95 THR C -85.00 -46.50 -49.74 -50.06 -50.27 . . 0 "[ . 1 . 2]"
134 PSI 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 LYS N -56.60 -26.10 -37.59 -39.70 -34.89 . . 0 "[ . 1 . 2]"
135 PHI 1 95 THR C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -82.70 -47.60 -68.17 -67.69 -68.90 . . 0 "[ . 1 . 2]"
136 PSI 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 ILE N -56.30 -17.30 -46.02 -48.70 -49.82 . . 0 "[ . 1 . 2]"
137 PHI 1 96 LYS C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -75.40 -55.40 -56.72 -60.94 -54.17 1.23 1 0 "[ . 1 . 2]"
138 PSI 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 ALA N -53.50 -33.50 -53.72 -54.60 -51.15 1.10 7 0 "[ . 1 . 2]"
139 PHI 1 97 ILE C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -70.10 -50.10 -59.09 -57.89 -59.15 . . 0 "[ . 1 . 2]"
140 PSI 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 THR N -57.00 -24.20 -53.36 -52.68 -54.23 0.23 19 0 "[ . 1 . 2]"
141 PHI 1 98 ALA C 1 99 THR N 1 99 THR CA 1 99 THR C -76.40 -51.60 -51.17 -54.41 -49.02 2.58 6 0 "[ . 1 . 2]"
142 PSI 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 SER N -54.90 -29.40 -40.11 -51.06 -33.93 . . 0 "[ . 1 . 2]"
143 PHI 1 99 THR C 1 100 SER N 1 100 SER CA 1 100 SER C -73.60 -53.60 -69.56 -66.44 -69.23 0.89 8 0 "[ . 1 . 2]"
144 PSI 1 100 SER N 1 100 SER CA 1 100 SER C 1 101 LEU N -52.10 -32.10 -37.67 -46.20 -31.92 0.18 8 0 "[ . 1 . 2]"
145 PHI 1 100 SER C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -84.40 -41.50 -69.82 -72.89 -74.93 . . 0 "[ . 1 . 2]"
146 PSI 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 PHE N -58.60 -21.80 -50.88 -53.50 -55.43 . . 0 "[ . 1 . 2]"
147 PHI 1 102 PHE C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -80.50 -41.20 -68.83 -81.06 -49.97 0.56 17 0 "[ . 1 . 2]"
148 PSI 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 SER N -53.90 -10.10 -33.06 -34.04 -38.46 . . 0 "[ . 1 . 2]"
149 PSI 1 109 GLY N 1 109 GLY CA 1 109 GLY C 1 110 ARG N -53.40 -31.80 -42.42 -49.88 -35.88 . . 0 "[ . 1 . 2]"
150 PSI 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 VAL N -55.10 -35.10 -44.58 -42.88 -52.69 0.91 15 0 "[ . 1 . 2]"
151 PSI 1 112 VAL N 1 112 VAL CA 1 112 VAL C 1 113 ALA N -52.30 -32.30 -47.21 -52.77 -40.90 0.47 4 0 "[ . 1 . 2]"
152 PHI 1 112 VAL C 1 113 ALA N 1 113 ALA CA 1 113 ALA C -73.30 -53.30 -56.72 -55.17 -56.27 0.93 15 0 "[ . 1 . 2]"
153 PSI 1 113 ALA N 1 113 ALA CA 1 113 ALA C 1 114 LEU N -50.60 -30.60 -41.02 -39.66 -40.93 . . 0 "[ . 1 . 2]"
154 PHI 1 113 ALA C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -80.30 -51.90 -51.21 -51.76 -50.58 1.32 11 0 "[ . 1 . 2]"
155 PSI 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 LEU N -53.80 -33.80 -50.27 -53.99 -46.63 0.19 4 0 "[ . 1 . 2]"
156 PHI 1 114 LEU C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -72.80 -52.80 -67.19 -66.63 -66.99 . . 0 "[ . 1 . 2]"
157 PSI 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 GLY N -51.80 -31.80 -43.56 -45.43 -42.03 . . 0 "[ . 1 . 2]"
158 PHI 1 115 LEU C 1 116 GLY N 1 116 GLY CA 1 116 GLY C -81.00 -47.80 -49.59 -48.63 -48.85 . . 0 "[ . 1 . 2]"
159 PHI 1 116 GLY C 1 117 PHE N 1 117 PHE CA 1 117 PHE C -88.70 -46.30 -76.91 -76.66 -77.53 . . 0 "[ . 1 . 2]"
160 PSI 1 117 PHE N 1 117 PHE CA 1 117 PHE C 1 118 GLY N -56.50 -23.10 -26.09 -30.30 -20.87 2.23 4 0 "[ . 1 . 2]"
161 PHI 1 117 PHE C 1 118 GLY N 1 118 GLY CA 1 118 GLY C -77.50 -49.60 -54.90 -56.19 -56.84 . . 0 "[ . 1 . 2]"
162 PSI 1 118 GLY N 1 118 GLY CA 1 118 GLY C 1 119 TYR N -55.50 -24.70 -55.07 -57.62 -49.88 2.12 3 0 "[ . 1 . 2]"
163 PHI 1 118 GLY C 1 119 TYR N 1 119 TYR CA 1 119 TYR C -78.60 -53.90 -61.12 -70.04 -53.71 0.19 6 0 "[ . 1 . 2]"
164 PSI 1 119 TYR N 1 119 TYR CA 1 119 TYR C 1 120 ARG N -54.50 -33.70 -40.90 -40.73 -42.28 3.23 4 0 "[ . 1 . 2]"
165 PHI 1 119 TYR C 1 120 ARG N 1 120 ARG CA 1 120 ARG C -73.40 -53.40 -59.39 -66.22 -53.33 0.07 10 0 "[ . 1 . 2]"
166 PHI 1 120 ARG C 1 121 LEU N 1 121 LEU CA 1 121 LEU C -76.90 -50.50 -58.94 -56.06 -56.80 . . 0 "[ . 1 . 2]"
167 PSI 1 121 LEU N 1 121 LEU CA 1 121 LEU C 1 122 ALA N -55.50 -30.20 -42.08 -58.65 -35.53 3.15 15 0 "[ . 1 . 2]"
168 PSI 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 TYR N -49.40 -19.60 -36.94 -40.49 -40.86 1.08 20 0 "[ . 1 . 2]"
169 PHI 1 125 VAL C 1 126 TYR N 1 126 TYR CA 1 126 TYR C -75.50 -54.00 -65.03 -73.52 -56.87 . . 0 "[ . 1 . 2]"
170 PSI 1 126 TYR N 1 126 TYR CA 1 126 TYR C 1 127 GLN N -54.80 -26.70 -32.64 -37.30 -54.28 1.55 6 0 "[ . 1 . 2]"
171 PHI 1 126 TYR C 1 127 GLN N 1 127 GLN CA 1 127 GLN C -74.00 -52.80 -64.99 -74.16 -54.66 0.16 8 0 "[ . 1 . 2]"
172 PSI 1 127 GLN N 1 127 GLN CA 1 127 GLN C 1 128 HIS N -55.80 -19.20 -24.77 -22.91 -23.93 1.03 7 0 "[ . 1 . 2]"
173 PHI 1 127 GLN C 1 128 HIS N 1 128 HIS CA 1 128 HIS C -109.70 -57.40 -67.39 -87.95 -57.15 0.25 16 0 "[ . 1 . 2]"
174 PSI 1 128 HIS N 1 128 HIS CA 1 128 HIS C 1 129 GLY N -28.30 26.20 -26.54 -28.79 -23.03 0.49 7 0 "[ . 1 . 2]"
175 PHI 1 132 GLY C 1 133 PHE N 1 133 PHE CA 1 133 PHE C -160.50 -57.30 -113.30 -128.42 -96.49 . . 0 "[ . 1 . 2]"
176 PSI 1 135 GLY N 1 135 GLY CA 1 135 GLY C 1 136 GLN N -59.80 -27.80 -40.86 -55.57 -34.78 . . 0 "[ . 1 . 2]"
177 PHI 1 135 GLY C 1 136 GLN N 1 136 GLN CA 1 136 GLN C -75.50 -51.60 -60.62 -60.79 -60.99 . . 0 "[ . 1 . 2]"
178 PSI 1 136 GLN N 1 136 GLN CA 1 136 GLN C 1 137 VAL N -54.50 -34.50 -52.82 -56.30 -35.02 1.80 12 0 "[ . 1 . 2]"
179 PHI 1 136 GLN C 1 137 VAL N 1 137 VAL CA 1 137 VAL C -71.20 -51.20 -55.92 -56.01 -56.83 0.21 5 0 "[ . 1 . 2]"
180 PSI 1 137 VAL N 1 137 VAL CA 1 137 VAL C 1 138 THR N -55.20 -35.20 -52.24 -51.22 -51.66 1.18 20 0 "[ . 1 . 2]"
181 PHI 1 137 VAL C 1 138 THR N 1 138 THR CA 1 138 THR C -74.40 -54.40 -55.28 -61.16 -53.32 1.08 12 0 "[ . 1 . 2]"
182 PSI 1 139 ARG N 1 139 ARG CA 1 139 ARG C 1 140 PHE N -69.60 -5.40 -41.84 -33.86 -37.61 . . 0 "[ . 1 . 2]"
183 PHI 1 139 ARG C 1 140 PHE N 1 140 PHE CA 1 140 PHE C -102.30 -43.20 -61.27 -74.00 -51.53 . . 0 "[ . 1 . 2]"
184 PSI 1 140 PHE N 1 140 PHE CA 1 140 PHE C 1 141 VAL N -81.20 20.20 -46.43 -54.28 -37.45 . . 0 "[ . 1 . 2]"
185 PHI 1 140 PHE C 1 141 VAL N 1 141 VAL CA 1 141 VAL C -74.20 -54.20 -60.46 -62.24 -64.10 0.27 15 0 "[ . 1 . 2]"
186 PSI 1 141 VAL N 1 141 VAL CA 1 141 VAL C 1 142 VAL N -53.80 -33.80 -53.04 -51.59 -53.11 2.83 4 0 "[ . 1 . 2]"
187 PHI 1 141 VAL C 1 142 VAL N 1 142 VAL CA 1 142 VAL C -75.70 -55.70 -61.45 -70.56 -54.62 1.08 8 0 "[ . 1 . 2]"
188 PSI 1 142 VAL N 1 142 VAL CA 1 142 VAL C 1 143 ASP N -57.20 -31.10 -39.22 -39.98 -41.06 0.76 9 0 "[ . 1 . 2]"
189 PHI 1 142 VAL C 1 143 ASP N 1 143 ASP CA 1 143 ASP C -70.00 -50.00 -61.81 -61.49 -62.14 . . 0 "[ . 1 . 2]"
190 PSI 1 143 ASP N 1 143 ASP CA 1 143 ASP C 1 144 PHE N -62.40 -22.10 -54.37 -65.20 -37.80 2.80 16 0 "[ . 1 . 2]"
191 PHI 1 143 ASP C 1 144 PHE N 1 144 PHE CA 1 144 PHE C -76.50 -56.50 -62.85 -66.42 -68.65 3.33 18 0 "[ . 1 . 2]"
192 PSI 1 144 PHE N 1 144 PHE CA 1 144 PHE C 1 145 MET N -57.10 -31.00 -40.91 -37.88 -38.45 0.60 10 0 "[ . 1 . 2]"
193 PHI 1 144 PHE C 1 145 MET N 1 145 MET CA 1 145 MET C -72.10 -52.10 -58.58 -60.59 -63.31 . . 0 "[ . 1 . 2]"
194 PSI 1 145 MET N 1 145 MET CA 1 145 MET C 1 146 LEU N -55.00 -33.00 -45.63 -43.25 -46.12 . . 0 "[ . 1 . 2]"
195 PHI 1 145 MET C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -75.30 -54.90 -70.74 -65.06 -73.18 2.52 18 0 "[ . 1 . 2]"
196 PHI 1 149 CYS C 1 150 ILE N 1 150 ILE CA 1 150 ILE C -83.50 -52.20 -75.99 -84.90 -48.24 3.96 5 0 "[ . 1 . 2]"
197 PSI 1 150 ILE N 1 150 ILE CA 1 150 ILE C 1 151 ALA N -51.00 -31.00 -47.79 -46.86 -47.92 1.01 10 0 "[ . 1 . 2]"
198 PSI 1 152 ARG N 1 152 ARG CA 1 152 ARG C 1 153 TRP N -51.70 -31.70 -43.62 -44.40 -45.09 . . 0 "[ . 1 . 2]"
199 PHI 1 152 ARG C 1 153 TRP N 1 153 TRP CA 1 153 TRP C -78.10 -51.90 -56.40 -56.20 -57.01 . . 0 "[ . 1 . 2]"
200 PSI 1 153 TRP N 1 153 TRP CA 1 153 TRP C 1 154 ILE N -54.40 -32.40 -53.80 -56.40 -47.28 2.00 4 0 "[ . 1 . 2]"
201 PHI 1 153 TRP C 1 154 ILE N 1 154 ILE CA 1 154 ILE C -73.80 -53.80 -55.65 -56.28 -56.49 . . 0 "[ . 1 . 2]"
202 PSI 1 154 ILE N 1 154 ILE CA 1 154 ILE C 1 155 ALA N -50.30 -30.30 -44.86 -48.18 -40.89 . . 0 "[ . 1 . 2]"
203 PHI 1 154 ILE C 1 155 ALA N 1 155 ALA CA 1 155 ALA C -71.90 -51.90 -62.49 -64.83 -60.59 . . 0 "[ . 1 . 2]"
204 PSI 1 155 ALA N 1 155 ALA CA 1 155 ALA C 1 156 GLN N -55.40 -24.20 -32.42 -33.98 -35.89 . . 0 "[ . 1 . 2]"
205 PHI 1 155 ALA C 1 156 GLN N 1 156 GLN CA 1 156 GLN C -77.90 -49.80 -73.15 -78.81 -69.81 0.91 4 0 "[ . 1 . 2]"
206 PSI 1 156 GLN N 1 156 GLN CA 1 156 GLN C 1 157 ARG N -58.90 -9.90 -36.02 -37.68 -33.80 . . 0 "[ . 1 . 2]"
207 PHI 1 156 GLN C 1 157 ARG N 1 157 ARG CA 1 157 ARG C -110.80 -64.50 -75.53 -76.31 -76.68 . . 0 "[ . 1 . 2]"
208 PSI 1 157 ARG N 1 157 ARG CA 1 157 ARG C 1 158 GLY N -25.00 21.60 -6.56 -13.64 -2.86 . . 0 "[ . 1 . 2]"
209 PHI 1 159 GLY C 1 160 TRP N 1 160 TRP CA 1 160 TRP C -72.70 -45.60 -67.46 -68.12 -69.72 0.67 15 0 "[ . 1 . 2]"
210 PSI 1 160 TRP N 1 160 TRP CA 1 160 TRP C 1 161 VAL N -51.40 -5.00 -12.74 -24.77 -5.58 . . 0 "[ . 1 . 2]"
211 PHI 1 162 ALA C 1 163 ALA N 1 163 ALA CA 1 163 ALA C -82.30 -44.70 -79.04 -83.12 -54.08 0.82 5 0 "[ . 1 . 2]"
212 PSI 1 163 ALA N 1 163 ALA CA 1 163 ALA C 1 164 LEU N -62.50 -2.70 -28.90 -30.96 -41.29 . . 0 "[ . 1 . 2]"
213 PHI 1 163 ALA C 1 164 LEU N 1 164 LEU CA 1 164 LEU C -80.90 -50.10 -65.73 -64.67 -64.79 1.13 15 0 "[ . 1 . 2]"
214 PSI 1 164 LEU N 1 164 LEU CA 1 164 LEU C 1 165 ASN N -45.90 -0.80 -14.25 -14.45 -14.79 0.30 5 0 "[ . 1 . 2]"
215 PHI 1 164 LEU C 1 165 ASN N 1 165 ASN CA 1 165 ASN C -130.10 -53.70 -100.60 -96.45 -98.51 . . 0 "[ . 1 . 2]"
216 PSI 1 165 ASN N 1 165 ASN CA 1 165 ASN C 1 166 LEU N -59.80 31.90 15.69 -25.51 32.17 0.27 3 0 "[ . 1 . 2]"
217 PHI 1 167 GLY C 1 168 ASN N 1 168 ASN CA 1 168 ASN C -114.00 -70.30 -102.07 -113.82 -72.51 . . 0 "[ . 1 . 2]"
218 PSI 1 168 ASN N 1 168 ASN CA 1 168 ASN C 1 169 GLY N -7.80 18.40 13.70 18.37 0.42 0.65 1 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 19
_TA_constraint_stats_list.Viol_count 163
_TA_constraint_stats_list.Viol_total 3481.35
_TA_constraint_stats_list.Viol_max 4.30
_TA_constraint_stats_list.Viol_rms 0.81
_TA_constraint_stats_list.Viol_average_all_restraints 0.46
_TA_constraint_stats_list.Viol_average_violations_only 1.07
_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 PSI 2 2 ASP N 2 2 ASP CA 2 2 ASP C 2 3 ILE N -35.30 -15.30 -26.43 -38.51 -13.66 3.21 4 0 "[ . 1 . 2]"
2 PHI 2 3 ILE C 2 4 ILE N 2 4 ILE CA 2 4 ILE C -76.00 -56.00 -63.12 -76.22 -55.33 0.67 3 0 "[ . 1 . 2]"
3 PSI 2 4 ILE N 2 4 ILE CA 2 4 ILE C 2 5 ARG N -39.40 -19.40 -34.35 -36.20 -39.65 1.10 5 0 "[ . 1 . 2]"
4 PHI 2 4 ILE C 2 5 ARG N 2 5 ARG CA 2 5 ARG C -91.00 -71.00 -86.02 -86.81 -88.18 0.76 7 0 "[ . 1 . 2]"
5 PSI 2 5 ARG N 2 5 ARG CA 2 5 ARG C 2 6 ASN N -40.80 -20.80 -31.09 -40.87 -21.50 0.07 18 0 "[ . 1 . 2]"
6 PHI 2 5 ARG C 2 6 ASN N 2 6 ASN CA 2 6 ASN C -68.90 -48.90 -67.17 -70.31 -54.60 1.41 12 0 "[ . 1 . 2]"
7 PSI 2 6 ASN N 2 6 ASN CA 2 6 ASN C 2 7 ILE N -70.50 -50.50 -49.15 -49.63 -49.93 4.30 19 0 "[ . 1 . 2]"
8 PHI 2 6 ASN C 2 7 ILE N 2 7 ILE CA 2 7 ILE C -71.10 -51.10 -51.17 -52.10 -52.57 2.09 19 0 "[ . 1 . 2]"
9 PSI 2 8 ALA N 2 8 ALA CA 2 8 ALA C 2 9 ARG N -45.20 -25.20 -33.50 -34.78 -38.01 2.73 9 0 "[ . 1 . 2]"
10 PHI 2 8 ALA C 2 9 ARG N 2 9 ARG CA 2 9 ARG C -85.30 -65.30 -70.57 -88.79 -64.41 3.49 9 0 "[ . 1 . 2]"
11 PSI 2 10 HIS N 2 10 HIS CA 2 10 HIS C 2 11 LEU N -28.40 -8.40 -20.57 -19.95 -21.29 0.04 8 0 "[ . 1 . 2]"
12 PHI 2 10 HIS C 2 11 LEU N 2 11 LEU CA 2 11 LEU C -85.20 -65.20 -87.70 -88.62 -86.05 3.42 8 0 "[ . 1 . 2]"
13 PSI 2 14 VAL N 2 14 VAL CA 2 14 VAL C 2 15 GLY N -37.90 -17.90 -23.35 -17.93 -18.78 0.55 20 0 "[ . 1 . 2]"
14 PHI 2 14 VAL C 2 15 GLY N 2 15 GLY CA 2 15 GLY C -86.40 -66.40 -77.86 -85.03 -68.71 . . 0 "[ . 1 . 2]"
15 PHI 2 19 ASP C 2 20 ARG N 2 20 ARG CA 2 20 ARG C -88.70 -68.70 -84.81 -90.58 -66.04 2.66 10 0 "[ . 1 . 2]"
16 PSI 2 20 ARG N 2 20 ARG CA 2 20 ARG C 2 21 SER N -35.90 -15.90 -19.66 -16.89 -21.07 0.28 17 0 "[ . 1 . 2]"
17 PHI 2 20 ARG C 2 21 SER N 2 21 SER CA 2 21 SER C -106.10 -86.10 -105.41 -106.80 -94.27 0.70 18 0 "[ . 1 . 2]"
18 PSI 2 21 SER N 2 21 SER CA 2 21 SER C 2 22 ILE N 23.00 43.00 25.05 21.80 21.72 1.77 19 0 "[ . 1 . 2]"
19 PSI 2 22 ILE N 2 22 ILE CA 2 22 ILE C 2 23 NH2 N -38.50 -18.50 -25.42 -39.22 -18.34 0.72 9 0 "[ . 1 . 2]"
stop_
save_
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