NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629136 |
5w8y   |
30309 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5w8y
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 120
_TA_constraint_stats_list.Viol_count 180
_TA_constraint_stats_list.Viol_total 7475.50
_TA_constraint_stats_list.Viol_max 15.54
_TA_constraint_stats_list.Viol_rms 0.74
_TA_constraint_stats_list.Viol_average_all_restraints 0.16
_TA_constraint_stats_list.Viol_average_violations_only 2.08
_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 . 1 1 MET C 1 2 ASN N 1 2 ASN CA 1 2 ASN C -161.20 -59.60 -108.68 -124.76 -136.80 . . 0 "[ . 1 . 2]"
2 . 1 2 ASN N 1 2 ASN CA 1 2 ASN C 1 3 ALA N 142.90 -177.10 167.85 173.55 171.61 . . 0 "[ . 1 . 2]"
3 . 1 2 ASN C 1 3 ALA N 1 3 ALA CA 1 3 ALA C -79.70 -39.70 -52.64 -49.66 -49.95 . . 0 "[ . 1 . 2]"
4 . 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 ILE N -56.20 -16.20 -41.40 -46.32 -47.27 . . 0 "[ . 1 . 2]"
5 . 1 3 ALA C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -84.20 -44.20 -64.00 -61.75 -62.02 . . 0 "[ . 1 . 2]"
6 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 ASP N -63.70 -23.70 -42.07 -38.53 -38.88 . . 0 "[ . 1 . 2]"
7 . 1 4 ILE C 1 5 ASP N 1 5 ASP CA 1 5 ASP C -82.60 -42.60 -66.42 -72.86 -54.09 . . 0 "[ . 1 . 2]"
8 . 1 5 ASP N 1 5 ASP CA 1 5 ASP C 1 6 ILE N -62.20 -22.20 -41.85 -46.06 -47.14 . . 0 "[ . 1 . 2]"
9 . 1 5 ASP C 1 6 ILE N 1 6 ILE CA 1 6 ILE C -86.70 -46.70 -67.85 -63.63 -65.48 . . 0 "[ . 1 . 2]"
10 . 1 6 ILE N 1 6 ILE CA 1 6 ILE C 1 7 ALA N -59.60 -19.60 -33.24 -41.16 -22.08 . . 0 "[ . 1 . 2]"
11 . 1 6 ILE C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -85.10 -45.10 -70.38 -68.43 -69.77 . . 0 "[ . 1 . 2]"
12 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 ILE N -61.90 -21.90 -30.95 -37.19 -25.37 . . 0 "[ . 1 . 2]"
13 . 1 7 ALA C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -82.80 -42.80 -60.91 -60.36 -61.22 . . 0 "[ . 1 . 2]"
14 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 ASN N -63.10 -23.10 -49.22 -48.86 -49.36 . . 0 "[ . 1 . 2]"
15 . 1 8 ILE C 1 9 ASN N 1 9 ASN CA 1 9 ASN C -85.40 -45.40 -66.61 -72.64 -59.92 . . 0 "[ . 1 . 2]"
16 . 1 9 ASN N 1 9 ASN CA 1 9 ASN C 1 10 LYS N -60.70 -20.70 -34.52 -35.77 -40.90 . . 0 "[ . 1 . 2]"
17 . 1 9 ASN C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -87.90 -47.90 -71.84 -79.52 -64.28 . . 0 "[ . 1 . 2]"
18 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 LEU N -49.40 -9.40 -44.85 -48.67 -50.69 1.91 1 0 "[ . 1 . 2]"
19 . 1 10 LYS C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -101.60 -61.60 -82.94 -94.98 -65.37 . . 0 "[ . 1 . 2]"
20 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 GLY N -36.80 7.40 -14.99 -28.50 5.25 . . 0 "[ . 1 . 2]"
21 . 1 11 LEU C 1 12 GLY N 1 12 GLY CA 1 12 GLY C 60.10 112.90 99.03 104.66 101.65 0.09 5 0 "[ . 1 . 2]"
22 . 1 12 GLY N 1 12 GLY CA 1 12 GLY C 1 13 SER N -37.90 40.90 -24.79 -38.39 -4.43 0.49 11 0 "[ . 1 . 2]"
23 . 1 12 GLY C 1 13 SER N 1 13 SER CA 1 13 SER C 151.60 -86.80 -157.59 -163.49 -166.45 . . 0 "[ . 1 . 2]"
24 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 VAL N 135.10 177.10 164.58 157.41 172.37 . . 0 "[ . 1 . 2]"
25 . 1 13 SER C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -82.40 -42.40 -79.59 -80.74 -81.77 0.29 19 0 "[ . 1 . 2]"
26 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 SER N -59.80 -19.80 -28.87 -31.85 -25.97 . . 0 "[ . 1 . 2]"
27 . 1 14 VAL C 1 15 SER N 1 15 SER CA 1 15 SER C -79.90 -39.90 -64.62 -63.07 -64.20 . . 0 "[ . 1 . 2]"
28 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 ALA N -61.00 -21.00 -40.93 -37.83 -38.74 . . 0 "[ . 1 . 2]"
29 . 1 15 SER C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -86.80 -46.80 -72.09 -76.33 -64.74 . . 0 "[ . 1 . 2]"
30 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 LEU N -56.80 -16.80 -40.67 -41.75 -42.36 . . 0 "[ . 1 . 2]"
31 . 1 16 ALA C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -85.10 -45.10 -64.08 -67.26 -59.67 . . 0 "[ . 1 . 2]"
32 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 ALA N -63.90 -23.90 -50.02 -59.17 -39.45 . . 0 "[ . 1 . 2]"
33 . 1 17 LEU C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -81.10 -41.10 -66.11 -58.14 -60.77 . . 0 "[ . 1 . 2]"
34 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 ALA N -62.50 -22.50 -35.49 -41.82 -29.35 . . 0 "[ . 1 . 2]"
35 . 1 18 ALA C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -85.30 -45.30 -62.53 -62.28 -62.85 . . 0 "[ . 1 . 2]"
36 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 ALA N -59.10 -19.10 -40.03 -37.48 -37.86 . . 0 "[ . 1 . 2]"
37 . 1 19 ALA C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -84.10 -44.10 -73.75 -81.79 -67.19 . . 0 "[ . 1 . 2]"
38 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 LEU N -54.80 -14.80 -31.54 -37.45 -39.96 . . 0 "[ . 1 . 2]"
39 . 1 20 ALA C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -108.60 -68.60 -90.73 -103.82 -77.75 . . 0 "[ . 1 . 2]"
40 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 GLY N -32.60 7.40 -7.77 -3.38 -5.21 . . 0 "[ . 1 . 2]"
41 . 1 21 LEU C 1 22 GLY N 1 22 GLY CA 1 22 GLY C 51.10 91.10 70.67 66.86 76.45 . . 0 "[ . 1 . 2]"
42 . 1 22 GLY N 1 22 GLY CA 1 22 GLY C 1 23 VAL N 16.70 56.70 27.72 15.66 43.43 1.04 20 0 "[ . 1 . 2]"
43 . 1 22 GLY C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -146.10 -106.10 -125.13 -128.16 -130.02 . . 0 "[ . 1 . 2]"
44 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ASN N 144.90 -175.10 -179.93 174.43 -176.42 . . 0 "[ . 1 . 2]"
45 . 1 23 VAL C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -93.30 -53.30 -86.08 -89.80 -92.80 2.76 6 0 "[ . 1 . 2]"
46 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 GLN N 134.40 174.40 166.28 170.55 169.05 0.38 6 0 "[ . 1 . 2]"
47 . 1 24 ASN C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -79.20 -39.20 -69.79 -78.93 -58.50 . . 0 "[ . 1 . 2]"
48 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 SER N -57.50 -17.50 -32.74 -30.01 -31.82 . . 0 "[ . 1 . 2]"
49 . 1 25 GLN C 1 26 SER N 1 26 SER CA 1 26 SER C -84.20 -44.20 -67.03 -65.58 -66.48 . . 0 "[ . 1 . 2]"
50 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 ALA N -54.20 -14.20 -34.34 -44.12 -24.50 . . 0 "[ . 1 . 2]"
51 . 1 26 SER C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -88.40 -48.40 -63.60 -69.60 -55.83 . . 0 "[ . 1 . 2]"
52 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ILE N -60.50 -20.50 -41.60 -38.72 -40.02 . . 0 "[ . 1 . 2]"
53 . 1 27 ALA C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -85.50 -45.50 -63.79 -66.63 -58.22 . . 0 "[ . 1 . 2]"
54 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 SER N -58.90 -18.90 -44.61 -52.40 -39.09 . . 0 "[ . 1 . 2]"
55 . 1 28 ILE C 1 29 SER N 1 29 SER CA 1 29 SER C -84.50 -44.50 -60.72 -61.95 -62.70 . . 0 "[ . 1 . 2]"
56 . 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 GLN N -60.20 -20.20 -35.47 -35.42 -38.24 . . 0 "[ . 1 . 2]"
57 . 1 29 SER C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -84.90 -44.90 -70.42 -80.04 -61.92 . . 0 "[ . 1 . 2]"
58 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 TRP N -61.50 -21.50 -43.20 -43.96 -46.35 . . 0 "[ . 1 . 2]"
59 . 1 30 GLN C 1 31 TRP N 1 31 TRP CA 1 31 TRP C -81.10 -41.10 -66.96 -71.29 -62.98 . . 0 "[ . 1 . 2]"
60 . 1 31 TRP N 1 31 TRP CA 1 31 TRP C 1 32 ARG N -60.90 -20.90 -33.80 -35.45 -36.58 . . 0 "[ . 1 . 2]"
61 . 1 31 TRP C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -84.10 -44.10 -72.12 -78.30 -65.81 . . 0 "[ . 1 . 2]"
62 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 ALA N -60.70 -20.70 -39.78 -37.00 -39.75 . . 0 "[ . 1 . 2]"
63 . 1 32 ARG C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -88.80 -48.80 -74.88 -85.81 -61.54 . . 0 "[ . 1 . 2]"
64 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 ARG N -50.70 -10.70 -24.05 -34.76 -10.32 0.38 17 0 "[ . 1 . 2]"
65 . 1 33 ALA C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -112.90 -72.10 -81.10 -77.58 -79.58 0.27 11 0 "[ . 1 . 2]"
66 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 GLY N -28.80 22.40 -32.52 -32.98 -33.05 5.70 15 5 "[ * * * - + 2]"
67 . 1 34 ARG C 1 35 GLY N 1 35 GLY CA 1 35 GLY C 53.00 94.60 80.59 66.61 90.29 . . 0 "[ . 1 . 2]"
68 . 1 35 GLY N 1 35 GLY CA 1 35 GLY C 1 36 ARG N -6.30 52.90 6.77 -7.74 26.96 1.44 17 0 "[ . 1 . 2]"
69 . 1 35 GLY C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -165.70 -99.70 -155.28 -136.47 -143.61 . . 0 "[ . 1 . 2]"
70 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 VAL N 136.80 176.80 147.44 136.38 163.55 0.42 18 0 "[ . 1 . 2]"
71 . 1 36 ARG C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -122.60 -50.20 -106.11 -113.29 -114.13 0.69 9 0 "[ . 1 . 2]"
72 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 PRO N 91.30 159.50 158.68 156.73 156.54 3.57 8 0 "[ . 1 . 2]"
73 . 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 ALA N 128.00 168.00 165.92 166.19 163.58 3.23 6 0 "[ . 1 . 2]"
74 . 1 38 PRO C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -79.30 -39.30 -58.39 -54.50 -56.44 . . 0 "[ . 1 . 2]"
75 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 GLY N 118.20 158.20 135.24 128.35 120.42 2.21 20 0 "[ . 1 . 2]"
76 . 1 41 ARG C 1 42 CYS N 1 42 CYS CA 1 42 CYS C -80.80 -40.80 -63.52 -70.10 -57.19 . . 0 "[ . 1 . 2]"
77 . 1 42 CYS N 1 42 CYS CA 1 42 CYS C 1 43 ILE N -58.40 -18.40 -24.03 -22.28 -25.60 4.34 10 0 "[ . 1 . 2]"
78 . 1 42 CYS C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -86.30 -46.30 -52.37 -58.42 -47.59 . . 0 "[ . 1 . 2]"
79 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 ASP N -57.10 -17.10 -48.86 -58.21 -44.44 1.11 17 0 "[ . 1 . 2]"
80 . 1 43 ILE C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -87.70 -47.70 -74.17 -69.53 -71.01 . . 0 "[ . 1 . 2]"
81 . 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 ILE N -57.10 -17.10 -45.49 -48.66 -49.25 . . 0 "[ . 1 . 2]"
82 . 1 44 ASP C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -88.60 -48.60 -61.68 -64.99 -56.45 . . 0 "[ . 1 . 2]"
83 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 GLU N -56.30 -16.30 -31.36 -31.86 -34.50 . . 0 "[ . 1 . 2]"
84 . 1 45 ILE C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -84.30 -44.30 -73.50 -82.64 -66.28 . . 0 "[ . 1 . 2]"
85 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 LEU N -49.90 -9.90 -29.26 -20.82 -24.53 . . 0 "[ . 1 . 2]"
86 . 1 46 GLU C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -90.00 -50.00 -58.76 -65.90 -51.37 . . 0 "[ . 1 . 2]"
87 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 TYR N -45.70 -5.70 -36.98 -46.34 -23.89 0.64 16 0 "[ . 1 . 2]"
88 . 1 47 LEU C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -126.60 -86.60 -89.61 -97.66 -83.69 2.91 1 0 "[ . 1 . 2]"
89 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 THR N -25.90 27.90 -16.29 -12.44 -16.97 2.60 15 0 "[ . 1 . 2]"
90 . 1 49 THR C 1 50 ASP N 1 50 ASP CA 1 50 ASP C -141.20 -31.20 -49.99 -41.79 -43.26 2.61 9 0 "[ . 1 . 2]"
91 . 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 GLY N -69.70 42.10 -22.57 -43.59 -48.20 15.54 10 2 "[ . - + . 2]"
92 . 1 51 GLY C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -90.30 -50.30 -82.76 -91.55 -91.71 3.19 5 0 "[ . 1 . 2]"
93 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 VAL N -51.30 -11.30 -50.71 -58.11 -31.20 6.81 14 2 "[ . 1- +. 2]"
94 . 1 52 ARG C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -151.20 -108.20 -151.92 -156.13 -142.97 4.93 14 0 "[ . 1 . 2]"
95 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 GLU N 112.90 171.70 147.58 144.37 140.20 . . 0 "[ . 1 . 2]"
96 . 1 53 VAL C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -102.90 -62.90 -75.38 -65.07 -69.03 . . 0 "[ . 1 . 2]"
97 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 CYS N 92.20 150.40 119.92 96.15 146.27 . . 0 "[ . 1 . 2]"
98 . 1 54 GLU C 1 55 CYS N 1 55 CYS CA 1 55 CYS C -96.40 -52.20 -82.10 -83.82 -87.92 1.01 1 0 "[ . 1 . 2]"
99 . 1 55 CYS N 1 55 CYS CA 1 55 CYS C 1 56 ARG N 105.90 145.90 138.82 119.35 150.44 4.54 1 0 "[ . 1 . 2]"
100 . 1 55 CYS C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -146.60 -93.20 -126.47 -130.35 -133.73 0.28 11 0 "[ . 1 . 2]"
101 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 GLU N 115.40 173.20 131.27 112.43 145.29 2.97 15 0 "[ . 1 . 2]"
102 . 1 56 ARG C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -141.20 -91.20 -113.33 -106.09 -113.62 . . 0 "[ . 1 . 2]"
103 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 LEU N 116.50 162.10 162.67 152.07 166.32 4.22 8 0 "[ . 1 . 2]"
104 . 1 57 GLU C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -97.90 -54.90 -82.43 -96.96 -66.12 . . 0 "[ . 1 . 2]"
105 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ARG N 113.70 159.90 145.27 107.47 165.18 6.23 15 2 "[ . 1 - + 2]"
106 . 1 58 LEU C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -87.50 -47.50 -70.28 -58.64 -62.77 2.11 5 0 "[ . 1 . 2]"
107 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 PRO N 117.60 164.20 157.15 156.19 155.05 2.31 7 0 "[ . 1 . 2]"
108 . 1 4 ILE N 1 4 ILE CA 1 4 ILE CB 1 4 ILE CG1 -100.00 -20.00 -48.60 -54.32 -42.74 . . 0 "[ . 1 . 2]"
109 . 1 6 ILE N 1 6 ILE CA 1 6 ILE CB 1 6 ILE CG1 -100.00 -20.00 -63.15 -57.89 -59.22 . . 0 "[ . 1 . 2]"
110 . 1 8 ILE N 1 8 ILE CA 1 8 ILE CB 1 8 ILE CG1 -100.00 -20.00 -59.54 -65.53 -55.20 . . 0 "[ . 1 . 2]"
111 . 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG -100.00 -20.00 -55.81 -52.23 -52.66 . . 0 "[ . 1 . 2]"
112 . 1 13 SER N 1 13 SER CA 1 13 SER CB 1 13 SER OG 20.00 100.00 58.86 57.27 56.59 . . 0 "[ . 1 . 2]"
113 . 1 14 VAL N 1 14 VAL CA 1 14 VAL CB 1 14 VAL CG1 140.00 -140.00 164.14 165.88 164.74 . . 0 "[ . 1 . 2]"
114 . 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG -100.00 -20.00 -65.00 -63.83 -64.54 . . 0 "[ . 1 . 2]"
115 . 1 23 VAL N 1 23 VAL CA 1 23 VAL CB 1 23 VAL CG1 -100.00 -20.00 -63.72 -69.67 -56.35 . . 0 "[ . 1 . 2]"
116 . 1 28 ILE N 1 28 ILE CA 1 28 ILE CB 1 28 ILE CG1 -100.00 -20.00 -56.38 -60.34 -52.34 . . 0 "[ . 1 . 2]"
117 . 1 43 ILE N 1 43 ILE CA 1 43 ILE CB 1 43 ILE CG1 -100.00 -20.00 -61.22 -58.34 -59.19 . . 0 "[ . 1 . 2]"
118 . 1 45 ILE N 1 45 ILE CA 1 45 ILE CB 1 45 ILE CG1 -100.00 -20.00 -66.97 -65.05 -66.80 . . 0 "[ . 1 . 2]"
119 . 1 48 TYR N 1 48 TYR CA 1 48 TYR CB 1 48 TYR CG -100.00 -20.00 -41.01 -35.70 -36.18 . . 0 "[ . 1 . 2]"
120 . 1 49 THR N 1 49 THR CA 1 49 THR CB 1 49 THR OG1 20.00 100.00 65.29 58.19 70.50 . . 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 120
_TA_constraint_stats_list.Viol_count 179
_TA_constraint_stats_list.Viol_total 7415.67
_TA_constraint_stats_list.Viol_max 15.54
_TA_constraint_stats_list.Viol_rms 0.74
_TA_constraint_stats_list.Viol_average_all_restraints 0.15
_TA_constraint_stats_list.Viol_average_violations_only 2.07
_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 PHI 1 1 MET C 1 2 ASN N 1 2 ASN CA 1 2 ASN C -161.10 -59.60 -108.68 -124.76 -136.80 . . 0 "[ . 1 . 2]"
2 PSI 1 2 ASN N 1 2 ASN CA 1 2 ASN C 1 3 ALA N 142.90 -177.10 167.85 173.55 171.61 . . 0 "[ . 1 . 2]"
3 PHI 1 2 ASN C 1 3 ALA N 1 3 ALA CA 1 3 ALA C -79.70 -39.70 -52.64 -49.66 -49.95 . . 0 "[ . 1 . 2]"
4 PSI 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 ILE N -56.20 -16.20 -41.40 -46.32 -47.27 . . 0 "[ . 1 . 2]"
5 PHI 1 3 ALA C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -84.20 -44.20 -64.00 -61.75 -62.02 . . 0 "[ . 1 . 2]"
6 PSI 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 ASP N -63.70 -23.70 -42.07 -38.53 -38.88 . . 0 "[ . 1 . 2]"
7 PHI 1 4 ILE C 1 5 ASP N 1 5 ASP CA 1 5 ASP C -82.60 -42.60 -66.42 -72.86 -54.09 . . 0 "[ . 1 . 2]"
8 PSI 1 5 ASP N 1 5 ASP CA 1 5 ASP C 1 6 ILE N -62.20 -22.20 -41.85 -46.06 -47.14 . . 0 "[ . 1 . 2]"
9 PHI 1 5 ASP C 1 6 ILE N 1 6 ILE CA 1 6 ILE C -86.70 -46.70 -67.85 -63.63 -65.48 . . 0 "[ . 1 . 2]"
10 PSI 1 6 ILE N 1 6 ILE CA 1 6 ILE C 1 7 ALA N -59.60 -19.60 -33.24 -41.16 -22.08 . . 0 "[ . 1 . 2]"
11 PHI 1 6 ILE C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -85.10 -45.10 -70.38 -68.43 -69.77 . . 0 "[ . 1 . 2]"
12 PSI 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 ILE N -61.90 -21.90 -30.95 -37.19 -25.37 . . 0 "[ . 1 . 2]"
13 PHI 1 7 ALA C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -82.80 -42.80 -60.91 -60.36 -61.22 . . 0 "[ . 1 . 2]"
14 PSI 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 ASN N -63.10 -23.10 -49.22 -48.86 -49.36 . . 0 "[ . 1 . 2]"
15 PHI 1 8 ILE C 1 9 ASN N 1 9 ASN CA 1 9 ASN C -85.40 -45.40 -66.61 -72.64 -59.92 . . 0 "[ . 1 . 2]"
16 PSI 1 9 ASN N 1 9 ASN CA 1 9 ASN C 1 10 LYS N -60.70 -20.70 -34.52 -35.77 -40.90 . . 0 "[ . 1 . 2]"
17 PHI 1 9 ASN C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -87.90 -47.90 -71.84 -79.52 -64.28 . . 0 "[ . 1 . 2]"
18 PSI 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 LEU N -49.40 -9.40 -44.85 -48.67 -50.69 1.91 1 0 "[ . 1 . 2]"
19 PHI 1 10 LYS C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -101.60 -61.60 -82.94 -94.98 -65.37 . . 0 "[ . 1 . 2]"
20 PSI 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 GLY N -36.90 7.40 -14.99 -28.50 5.25 . . 0 "[ . 1 . 2]"
21 PHI 1 11 LEU C 1 12 GLY N 1 12 GLY CA 1 12 GLY C 60.10 112.90 99.03 104.66 101.65 0.09 5 0 "[ . 1 . 2]"
22 PSI 1 12 GLY N 1 12 GLY CA 1 12 GLY C 1 13 SER N -38.00 40.90 -24.79 -38.39 -4.43 0.39 11 0 "[ . 1 . 2]"
23 PHI 1 12 GLY C 1 13 SER N 1 13 SER CA 1 13 SER C 151.60 -86.80 -157.59 -163.49 -166.45 . . 0 "[ . 1 . 2]"
24 PSI 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 VAL N 135.10 177.10 164.58 157.41 172.37 . . 0 "[ . 1 . 2]"
25 PHI 1 13 SER C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -82.40 -42.40 -79.59 -80.74 -81.77 0.29 19 0 "[ . 1 . 2]"
26 PSI 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 SER N -59.80 -19.80 -28.87 -31.85 -25.97 . . 0 "[ . 1 . 2]"
27 PHI 1 14 VAL C 1 15 SER N 1 15 SER CA 1 15 SER C -79.90 -39.90 -64.62 -63.07 -64.20 . . 0 "[ . 1 . 2]"
28 PSI 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 ALA N -61.00 -21.00 -40.93 -37.83 -38.74 . . 0 "[ . 1 . 2]"
29 PHI 1 15 SER C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -86.80 -46.80 -72.09 -76.33 -64.74 . . 0 "[ . 1 . 2]"
30 PSI 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 LEU N -56.80 -16.80 -40.67 -41.75 -42.36 . . 0 "[ . 1 . 2]"
31 PHI 1 16 ALA C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -85.10 -45.10 -64.08 -67.26 -59.67 . . 0 "[ . 1 . 2]"
32 PSI 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 ALA N -63.90 -23.90 -50.02 -59.17 -39.45 . . 0 "[ . 1 . 2]"
33 PHI 1 17 LEU C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -81.10 -41.10 -66.11 -58.14 -60.77 . . 0 "[ . 1 . 2]"
34 PSI 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 ALA N -62.50 -22.50 -35.49 -41.82 -29.35 . . 0 "[ . 1 . 2]"
35 PHI 1 18 ALA C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -85.30 -45.30 -62.53 -62.28 -62.85 . . 0 "[ . 1 . 2]"
36 PSI 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 ALA N -59.10 -19.10 -40.03 -37.48 -37.86 . . 0 "[ . 1 . 2]"
37 PHI 1 19 ALA C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -84.10 -44.10 -73.75 -81.79 -67.19 . . 0 "[ . 1 . 2]"
38 PSI 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 LEU N -54.80 -14.80 -31.54 -37.45 -39.96 . . 0 "[ . 1 . 2]"
39 PHI 1 20 ALA C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -108.60 -68.60 -90.73 -103.82 -77.75 . . 0 "[ . 1 . 2]"
40 PSI 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 GLY N -32.60 7.40 -7.77 -3.38 -5.21 . . 0 "[ . 1 . 2]"
41 PHI 1 21 LEU C 1 22 GLY N 1 22 GLY CA 1 22 GLY C 51.10 91.10 70.67 66.86 76.45 . . 0 "[ . 1 . 2]"
42 PSI 1 22 GLY N 1 22 GLY CA 1 22 GLY C 1 23 VAL N 16.70 56.70 27.72 15.66 43.43 1.04 20 0 "[ . 1 . 2]"
43 PHI 1 22 GLY C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -146.10 -106.10 -125.13 -128.16 -130.02 . . 0 "[ . 1 . 2]"
44 PSI 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ASN N 144.90 -175.10 -179.93 174.43 -176.42 . . 0 "[ . 1 . 2]"
45 PHI 1 23 VAL C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -93.30 -53.30 -86.08 -89.80 -92.80 2.76 6 0 "[ . 1 . 2]"
46 PSI 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 GLN N 134.40 174.40 166.28 170.55 169.05 0.38 6 0 "[ . 1 . 2]"
47 PHI 1 24 ASN C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -79.20 -39.20 -69.79 -78.93 -58.50 . . 0 "[ . 1 . 2]"
48 PSI 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 SER N -57.50 -17.50 -32.74 -30.01 -31.82 . . 0 "[ . 1 . 2]"
49 PHI 1 25 GLN C 1 26 SER N 1 26 SER CA 1 26 SER C -84.20 -44.20 -67.03 -65.58 -66.48 . . 0 "[ . 1 . 2]"
50 PSI 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 ALA N -54.20 -14.20 -34.34 -44.12 -24.50 . . 0 "[ . 1 . 2]"
51 PHI 1 26 SER C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -88.40 -48.40 -63.60 -69.60 -55.83 . . 0 "[ . 1 . 2]"
52 PSI 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ILE N -60.50 -20.50 -41.60 -38.72 -40.02 . . 0 "[ . 1 . 2]"
53 PHI 1 27 ALA C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -85.50 -45.50 -63.79 -66.63 -58.22 . . 0 "[ . 1 . 2]"
54 PSI 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 SER N -58.90 -18.90 -44.61 -52.40 -39.09 . . 0 "[ . 1 . 2]"
55 PHI 1 28 ILE C 1 29 SER N 1 29 SER CA 1 29 SER C -84.50 -44.50 -60.72 -61.95 -62.70 . . 0 "[ . 1 . 2]"
56 PSI 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 GLN N -60.20 -20.20 -35.47 -35.42 -38.24 . . 0 "[ . 1 . 2]"
57 PHI 1 29 SER C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -84.90 -44.90 -70.42 -80.04 -61.92 . . 0 "[ . 1 . 2]"
58 PSI 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 TRP N -61.50 -21.50 -43.20 -43.96 -46.35 . . 0 "[ . 1 . 2]"
59 PHI 1 30 GLN C 1 31 TRP N 1 31 TRP CA 1 31 TRP C -81.10 -41.10 -66.96 -71.29 -62.98 . . 0 "[ . 1 . 2]"
60 PSI 1 31 TRP N 1 31 TRP CA 1 31 TRP C 1 32 ARG N -60.90 -20.90 -33.80 -35.45 -36.58 . . 0 "[ . 1 . 2]"
61 PHI 1 31 TRP C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -84.10 -44.10 -72.12 -78.30 -65.81 . . 0 "[ . 1 . 2]"
62 PSI 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 ALA N -60.70 -20.70 -39.78 -37.00 -39.75 . . 0 "[ . 1 . 2]"
63 PHI 1 32 ARG C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -88.80 -48.80 -74.88 -85.81 -61.54 . . 0 "[ . 1 . 2]"
64 PSI 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 ARG N -50.70 -10.70 -24.05 -34.76 -10.32 0.38 17 0 "[ . 1 . 2]"
65 PHI 1 33 ALA C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -112.80 -72.10 -81.10 -77.58 -79.58 0.27 11 0 "[ . 1 . 2]"
66 PSI 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 GLY N -28.90 22.40 -32.52 -32.98 -33.05 5.60 15 5 "[ * * * - + 2]"
67 PHI 1 34 ARG C 1 35 GLY N 1 35 GLY CA 1 35 GLY C 53.00 94.60 80.59 66.61 90.29 . . 0 "[ . 1 . 2]"
68 PSI 1 35 GLY N 1 35 GLY CA 1 35 GLY C 1 36 ARG N -6.30 52.90 6.77 -7.74 26.96 1.44 17 0 "[ . 1 . 2]"
69 PHI 1 35 GLY C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -165.70 -99.60 -155.28 -136.47 -143.61 . . 0 "[ . 1 . 2]"
70 PSI 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 VAL N 136.80 176.80 147.44 136.38 163.55 0.42 18 0 "[ . 1 . 2]"
71 PHI 1 36 ARG C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -122.60 -50.20 -106.11 -113.29 -114.13 0.69 9 0 "[ . 1 . 2]"
72 PSI 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 PRO N 91.30 159.50 158.68 156.73 156.54 3.57 8 0 "[ . 1 . 2]"
73 PSI 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 ALA N 128.00 168.00 165.92 166.19 163.58 3.23 6 0 "[ . 1 . 2]"
74 PHI 1 38 PRO C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -79.30 -39.30 -58.39 -54.50 -56.44 . . 0 "[ . 1 . 2]"
75 PSI 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 GLY N 118.20 158.20 135.24 128.35 120.42 2.21 20 0 "[ . 1 . 2]"
76 PHI 1 41 ARG C 1 42 CYS N 1 42 CYS CA 1 42 CYS C -80.80 -40.80 -63.52 -70.10 -57.19 . . 0 "[ . 1 . 2]"
77 PSI 1 42 CYS N 1 42 CYS CA 1 42 CYS C 1 43 ILE N -58.40 -18.40 -24.03 -22.28 -25.60 4.34 10 0 "[ . 1 . 2]"
78 PHI 1 42 CYS C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -86.30 -46.30 -52.37 -58.42 -47.59 . . 0 "[ . 1 . 2]"
79 PSI 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 ASP N -57.10 -17.10 -48.86 -58.21 -44.44 1.11 17 0 "[ . 1 . 2]"
80 PHI 1 43 ILE C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -87.70 -47.70 -74.17 -69.53 -71.01 . . 0 "[ . 1 . 2]"
81 PSI 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 ILE N -57.10 -17.10 -45.49 -48.66 -49.25 . . 0 "[ . 1 . 2]"
82 PHI 1 44 ASP C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -88.60 -48.60 -61.68 -64.99 -56.45 . . 0 "[ . 1 . 2]"
83 PSI 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 GLU N -56.30 -16.30 -31.36 -31.86 -34.50 . . 0 "[ . 1 . 2]"
84 PHI 1 45 ILE C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -84.30 -44.30 -73.50 -82.64 -66.28 . . 0 "[ . 1 . 2]"
85 PSI 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 LEU N -49.90 -9.90 -29.26 -20.82 -24.53 . . 0 "[ . 1 . 2]"
86 PHI 1 46 GLU C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -90.00 -50.00 -58.76 -65.90 -51.37 . . 0 "[ . 1 . 2]"
87 PSI 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 TYR N -45.70 -5.70 -36.98 -46.34 -23.89 0.64 16 0 "[ . 1 . 2]"
88 PHI 1 47 LEU C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -126.60 -86.60 -89.61 -97.66 -83.69 2.91 1 0 "[ . 1 . 2]"
89 PSI 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 THR N -25.80 27.90 -16.29 -12.44 -16.97 2.70 15 0 "[ . 1 . 2]"
90 PHI 1 49 THR C 1 50 ASP N 1 50 ASP CA 1 50 ASP C -141.20 -31.30 -49.99 -41.79 -43.26 2.71 9 0 "[ . 1 . 2]"
91 PSI 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 GLY N -69.80 42.10 -22.57 -43.59 -48.20 15.54 10 2 "[ . - + . 2]"
92 PHI 1 51 GLY C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -90.30 -50.30 -82.76 -91.55 -91.71 3.19 5 0 "[ . 1 . 2]"
93 PSI 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 VAL N -51.30 -11.30 -50.71 -58.11 -31.20 6.81 14 2 "[ . 1- +. 2]"
94 PHI 1 52 ARG C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -151.20 -108.20 -151.92 -156.13 -142.97 4.93 14 0 "[ . 1 . 2]"
95 PSI 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 GLU N 112.90 171.80 147.58 144.37 140.20 . . 0 "[ . 1 . 2]"
96 PHI 1 53 VAL C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -102.90 -62.90 -75.38 -65.07 -69.03 . . 0 "[ . 1 . 2]"
97 PSI 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 CYS N 92.20 150.40 119.92 96.15 146.27 . . 0 "[ . 1 . 2]"
98 PHI 1 54 GLU C 1 55 CYS N 1 55 CYS CA 1 55 CYS C -96.30 -52.20 -82.10 -83.82 -87.92 1.11 1 0 "[ . 1 . 2]"
99 PSI 1 55 CYS N 1 55 CYS CA 1 55 CYS C 1 56 ARG N 105.90 145.90 138.82 119.35 150.44 4.54 1 0 "[ . 1 . 2]"
100 PHI 1 55 CYS C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -146.60 -93.20 -126.47 -130.35 -133.73 0.28 11 0 "[ . 1 . 2]"
101 PSI 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 GLU N 115.40 173.20 131.27 112.43 145.29 2.97 15 0 "[ . 1 . 2]"
102 PHI 1 56 ARG C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -141.20 -91.20 -113.33 -106.09 -113.62 . . 0 "[ . 1 . 2]"
103 PSI 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 LEU N 116.50 162.20 162.67 152.07 166.32 4.12 8 0 "[ . 1 . 2]"
104 PHI 1 57 GLU C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -97.90 -54.90 -82.43 -96.96 -66.12 . . 0 "[ . 1 . 2]"
105 PSI 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ARG N 113.70 160.00 145.27 107.47 165.18 6.23 15 2 "[ . 1 - + 2]"
106 PHI 1 58 LEU C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -87.50 -47.50 -70.28 -58.64 -62.77 2.11 5 0 "[ . 1 . 2]"
107 PSI 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 PRO N 117.60 164.20 157.15 156.19 155.05 2.31 7 0 "[ . 1 . 2]"
108 CHI1 1 4 ILE N 1 4 ILE CA 1 4 ILE CB 1 4 ILE CG1 -100.00 -20.00 -48.60 -54.32 -42.74 . . 0 "[ . 1 . 2]"
109 CHI1 1 6 ILE N 1 6 ILE CA 1 6 ILE CB 1 6 ILE CG1 -100.00 -20.00 -63.15 -57.89 -59.22 . . 0 "[ . 1 . 2]"
110 CHI1 1 8 ILE N 1 8 ILE CA 1 8 ILE CB 1 8 ILE CG1 -100.00 -20.00 -59.54 -65.53 -55.20 . . 0 "[ . 1 . 2]"
111 CHI1 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG -100.00 -20.00 -55.81 -52.23 -52.66 . . 0 "[ . 1 . 2]"
112 CHI1 1 13 SER N 1 13 SER CA 1 13 SER CB 1 13 SER OG 20.00 100.00 58.86 57.27 56.59 . . 0 "[ . 1 . 2]"
113 CHI1 1 14 VAL N 1 14 VAL CA 1 14 VAL CB 1 14 VAL CG1 140.00 -140.00 164.14 165.88 164.74 . . 0 "[ . 1 . 2]"
114 CHI1 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG -100.00 -20.00 -65.00 -63.83 -64.54 . . 0 "[ . 1 . 2]"
115 CHI1 1 23 VAL N 1 23 VAL CA 1 23 VAL CB 1 23 VAL CG1 -100.00 -20.00 -63.72 -69.67 -56.35 . . 0 "[ . 1 . 2]"
116 CHI1 1 28 ILE N 1 28 ILE CA 1 28 ILE CB 1 28 ILE CG1 -100.00 -20.00 -56.38 -60.34 -52.34 . . 0 "[ . 1 . 2]"
117 CHI1 1 43 ILE N 1 43 ILE CA 1 43 ILE CB 1 43 ILE CG1 -100.00 -20.00 -61.22 -58.34 -59.19 . . 0 "[ . 1 . 2]"
118 CHI1 1 45 ILE N 1 45 ILE CA 1 45 ILE CB 1 45 ILE CG1 -100.00 -20.00 -66.97 -65.05 -66.80 . . 0 "[ . 1 . 2]"
119 CHI1 1 48 TYR N 1 48 TYR CA 1 48 TYR CB 1 48 TYR CG -100.00 -20.00 -41.01 -35.70 -36.18 . . 0 "[ . 1 . 2]"
120 CHI1 1 49 THR N 1 49 THR CA 1 49 THR CB 1 49 THR OG1 20.00 100.00 65.29 58.19 70.50 . . 0 "[ . 1 . 2]"
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