NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617062 |
2ndh   |
26061 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ndh
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 216
_TA_constraint_stats_list.Viol_count 1045
_TA_constraint_stats_list.Viol_total 20792.79
_TA_constraint_stats_list.Viol_max 7.25
_TA_constraint_stats_list.Viol_rms 0.69
_TA_constraint_stats_list.Viol_average_all_restraints 0.24
_TA_constraint_stats_list.Viol_average_violations_only 0.99
_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 4 TRP C 1 5 SER N 1 5 SER CA 1 5 SER C -98.00 -66.00 -91.06 -85.98 -89.52 0.02 12 0 "[ . 1 . 2]"
2 PSI 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 LYS N -79.00 25.00 -59.75 -26.86 -33.01 . . 0 "[ . 1 . 2]"
3 PHI 1 5 SER C 1 6 LYS N 1 6 LYS CA 1 6 LYS C 176.00 -84.00 -135.84 -116.52 -130.63 . . 0 "[ . 1 . 2]"
4 PSI 1 6 LYS N 1 6 LYS CA 1 6 LYS C 1 7 ASP N 138.00 -178.00 168.17 141.71 -177.98 0.02 7 0 "[ . 1 . 2]"
5 PHI 1 6 LYS C 1 7 ASP N 1 7 ASP CA 1 7 ASP C -141.00 -25.00 -95.47 -77.52 -97.64 . . 0 "[ . 1 . 2]"
6 PSI 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 TYR N -75.00 21.00 -55.37 -74.81 -31.74 . . 0 "[ . 1 . 2]"
7 PHI 1 7 ASP C 1 8 TYR N 1 8 TYR CA 1 8 TYR C -174.00 -98.00 -127.99 -119.70 -124.62 . . 0 "[ . 1 . 2]"
8 PSI 1 8 TYR N 1 8 TYR CA 1 8 TYR C 1 9 ASP N 142.00 170.00 145.26 144.48 143.80 0.14 11 0 "[ . 1 . 2]"
9 PHI 1 8 TYR C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -116.00 -56.00 -112.08 -107.97 -109.09 0.16 3 0 "[ . 1 . 2]"
10 PSI 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 VAL N -52.00 -12.00 -50.23 -52.17 -46.74 0.17 15 0 "[ . 1 . 2]"
11 PHI 1 9 ASP C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -170.00 -110.00 -149.38 -150.61 -144.00 . . 0 "[ . 1 . 2]"
12 PSI 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 CYS N 122.00 166.00 137.86 136.91 136.15 . . 0 "[ . 1 . 2]"
13 PHI 1 10 VAL C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -147.00 -67.00 -131.60 -137.77 -122.07 . . 0 "[ . 1 . 2]"
14 PSI 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 VAL N 97.00 145.00 137.06 136.63 133.81 . . 0 "[ . 1 . 2]"
15 PHI 1 11 CYS C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -139.00 -75.00 -113.26 -105.95 -110.57 . . 0 "[ . 1 . 2]"
16 PSI 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 CYS N 96.00 136.00 111.67 132.74 128.93 0.15 11 0 "[ . 1 . 2]"
17 PHI 1 12 VAL C 1 13 CYS N 1 13 CYS CA 1 13 CYS C -148.00 -64.00 -101.57 -120.49 -83.55 . . 0 "[ . 1 . 2]"
18 PSI 1 13 CYS N 1 13 CYS CA 1 13 CYS C 1 14 HIS N 104.00 156.00 110.03 103.94 115.76 0.06 3 0 "[ . 1 . 2]"
19 PHI 1 13 CYS C 1 14 HIS N 1 14 HIS CA 1 14 HIS C -152.00 -100.00 -150.97 -152.37 -148.21 0.37 19 0 "[ . 1 . 2]"
20 PSI 1 14 HIS N 1 14 HIS CA 1 14 HIS C 1 15 SER N 115.00 171.00 171.90 171.76 171.58 1.28 12 0 "[ . 1 . 2]"
21 PHI 1 14 HIS C 1 15 SER N 1 15 SER CA 1 15 SER C -88.00 -60.00 -76.91 -85.91 -72.69 . . 0 "[ . 1 . 2]"
22 PSI 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 GLU N 107.00 -173.00 155.43 154.74 152.72 . . 0 "[ . 1 . 2]"
23 PHI 1 15 SER C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -69.00 -45.00 -67.08 -69.31 -62.79 0.31 12 0 "[ . 1 . 2]"
24 PSI 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 GLU N -61.00 -13.00 -13.40 -13.25 -15.29 1.64 12 0 "[ . 1 . 2]"
25 PHI 1 16 GLU C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -86.00 -50.00 -65.35 -72.03 -61.81 . . 0 "[ . 1 . 2]"
26 PSI 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ASP N -53.00 11.00 -14.73 -14.73 -15.45 . . 0 "[ . 1 . 2]"
27 PHI 1 17 GLU C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -147.00 -67.00 -129.35 -134.24 -125.81 . . 0 "[ . 1 . 2]"
28 PSI 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 LEU N -23.00 37.00 26.57 27.10 26.83 . . 0 "[ . 1 . 2]"
29 PHI 1 18 ASP C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -73.00 -33.00 -50.75 -51.44 -49.57 . . 0 "[ . 1 . 2]"
30 PSI 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 VAL N -75.00 -31.00 -32.13 -32.00 -32.05 0.30 10 0 "[ . 1 . 2]"
31 PHI 1 19 LEU C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -75.00 -47.00 -75.85 -75.78 -75.81 1.28 18 0 "[ . 1 . 2]"
32 PSI 1 20 VAL N 1 20 VAL CA 1 20 VAL C 1 21 ALA N -57.00 -29.00 -36.11 -35.38 -36.45 . . 0 "[ . 1 . 2]"
33 PHI 1 20 VAL C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -70.00 -50.00 -67.60 -70.34 -62.45 0.34 2 0 "[ . 1 . 2]"
34 PSI 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 ALA N -57.00 -29.00 -52.67 -51.00 -52.09 . . 0 "[ . 1 . 2]"
35 PHI 1 21 ALA C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -75.00 -55.00 -56.40 -60.37 -54.78 0.22 14 0 "[ . 1 . 2]"
36 PSI 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 GLN N -50.00 -26.00 -46.64 -50.55 -35.96 0.55 2 0 "[ . 1 . 2]"
37 PHI 1 22 ALA C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -76.00 -52.00 -63.54 -60.76 -76.04 0.96 14 0 "[ . 1 . 2]"
38 PSI 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 ASP N -57.00 -29.00 -28.09 -29.06 -27.04 1.96 14 0 "[ . 1 . 2]"
39 PHI 1 23 GLN C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -75.00 -55.00 -72.68 -72.93 -73.93 1.01 14 0 "[ . 1 . 2]"
40 PSI 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 LEU N -44.00 -32.00 -39.79 -39.86 -43.38 0.87 1 0 "[ . 1 . 2]"
41 PHI 1 24 ASP C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -78.00 -50.00 -69.54 -77.85 -62.58 . . 0 "[ . 1 . 2]"
42 PSI 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 VAL N -54.00 -30.00 -43.53 -47.62 -39.27 . . 0 "[ . 1 . 2]"
43 PHI 1 25 LEU C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -68.00 -60.00 -67.51 -68.33 -64.47 0.33 12 0 "[ . 1 . 2]"
44 PSI 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 SER N -59.00 -31.00 -31.67 -36.40 -28.76 2.24 7 0 "[ . 1 . 2]"
45 PHI 1 26 VAL C 1 27 SER N 1 27 SER CA 1 27 SER C -72.00 -52.00 -60.50 -56.89 -58.30 . . 0 "[ . 1 . 2]"
46 PSI 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 TYR N -57.00 -21.00 -28.39 -34.72 -22.98 . . 0 "[ . 1 . 2]"
47 PHI 1 27 SER C 1 28 TYR N 1 28 TYR CA 1 28 TYR C -73.00 -57.00 -67.13 -58.20 -59.32 1.41 9 0 "[ . 1 . 2]"
48 PSI 1 28 TYR N 1 28 TYR CA 1 28 TYR C 1 29 LEU N -53.00 -33.00 -52.65 -50.79 -51.07 2.03 11 0 "[ . 1 . 2]"
49 PHI 1 28 TYR C 1 29 LEU N 1 29 LEU CA 1 29 LEU C -71.00 -55.00 -70.95 -71.36 -71.43 0.45 1 0 "[ . 1 . 2]"
50 PSI 1 29 LEU N 1 29 LEU CA 1 29 LEU C 1 30 GLU N -51.00 -27.00 -36.69 -31.25 -32.61 . . 0 "[ . 1 . 2]"
51 PHI 1 29 LEU C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -91.00 -51.00 -56.58 -62.76 -51.74 . . 0 "[ . 1 . 2]"
52 PSI 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 GLY N -49.00 -17.00 -27.77 -42.26 -16.94 0.06 19 0 "[ . 1 . 2]"
53 PHI 1 31 GLY C 1 32 SER N 1 32 SER CA 1 32 SER C -159.00 -39.00 -133.41 -158.18 -93.71 . . 0 "[ . 1 . 2]"
54 PSI 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 THR N 36.00 168.00 153.97 165.62 73.88 0.21 11 0 "[ . 1 . 2]"
55 PHI 1 32 SER C 1 33 THR N 1 33 THR CA 1 33 THR C -113.00 -33.00 -79.07 -91.35 -107.88 0.06 1 0 "[ . 1 . 2]"
56 PSI 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 ALA N -62.00 14.00 -17.67 -32.41 -48.29 0.11 9 0 "[ . 1 . 2]"
57 PHI 1 33 THR C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -126.00 -42.00 -65.20 -69.57 -91.94 . . 0 "[ . 1 . 2]"
58 PSI 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 SER N -49.00 27.00 -23.44 -18.67 -24.07 0.84 4 0 "[ . 1 . 2]"
59 PHI 1 35 SER C 1 36 LEU N 1 36 LEU CA 1 36 LEU C 171.00 -25.00 -103.44 -146.55 -52.27 . . 0 "[ . 1 . 2]"
60 PSI 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 ARG N 103.00 175.00 147.27 104.72 175.04 0.04 5 0 "[ . 1 . 2]"
61 PHI 1 36 LEU C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -145.00 -65.00 -131.63 -144.88 -111.78 . . 0 "[ . 1 . 2]"
62 PSI 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 ALA N 97.00 137.00 101.48 106.15 101.68 0.55 17 0 "[ . 1 . 2]"
63 PHI 1 37 ARG C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -140.00 -92.00 -96.96 -108.13 -91.88 0.12 3 0 "[ . 1 . 2]"
64 PSI 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 PHE N 136.00 180.00 148.25 136.62 165.38 . . 0 "[ . 1 . 2]"
65 PHI 1 38 ALA C 1 39 PHE N 1 39 PHE CA 1 39 PHE C 176.00 -92.00 -129.04 -131.77 -134.94 . . 0 "[ . 1 . 2]"
66 PSI 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 LEU N 124.00 -176.00 153.38 129.80 -179.44 . . 0 "[ . 1 . 2]"
67 PHI 1 39 PHE C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -131.00 -59.00 -112.90 -98.24 -109.76 0.12 7 0 "[ . 1 . 2]"
68 PSI 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 GLN N 98.00 178.00 137.82 124.12 111.76 . . 0 "[ . 1 . 2]"
69 PHI 1 40 LEU C 1 41 GLN N 1 41 GLN CA 1 41 GLN C -123.00 -67.00 -119.79 -123.37 -104.94 0.37 11 0 "[ . 1 . 2]"
70 PSI 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 LEU N 82.00 154.00 83.60 82.20 82.13 0.19 11 0 "[ . 1 . 2]"
71 PHI 1 41 GLN C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -144.00 -72.00 -76.48 -120.83 -71.83 0.17 8 0 "[ . 1 . 2]"
72 PSI 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 ARG N 89.00 153.00 148.96 152.46 151.04 0.98 13 0 "[ . 1 . 2]"
73 PHI 1 42 LEU C 1 43 ARG N 1 43 ARG CA 1 43 ARG C -129.00 -41.00 -58.29 -109.74 -50.96 . . 0 "[ . 1 . 2]"
74 PSI 1 43 ARG N 1 43 ARG CA 1 43 ARG C 1 44 ASP N 85.00 -171.00 163.39 142.57 126.15 . . 0 "[ . 1 . 2]"
75 PHI 1 43 ARG C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -153.00 -25.00 -127.18 -152.12 -95.51 . . 0 "[ . 1 . 2]"
76 PSI 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 ALA N 110.00 154.00 135.15 111.76 153.60 . . 0 "[ . 1 . 2]"
77 PHI 1 44 ASP C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -167.00 -23.00 -77.19 -62.83 -65.28 . . 0 "[ . 1 . 2]"
78 PSI 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 THR N 110.00 174.00 128.63 125.05 121.28 . . 0 "[ . 1 . 2]"
79 PHI 1 45 ALA C 1 46 THR N 1 46 THR CA 1 46 THR C -114.00 -58.00 -99.91 -114.25 -57.82 0.25 3 0 "[ . 1 . 2]"
80 PSI 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 PRO N 90.00 -170.00 145.03 87.72 159.64 2.28 20 0 "[ . 1 . 2]"
81 PHI 1 50 ALA C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -160.00 -36.00 -117.98 -152.44 -52.79 . . 0 "[ . 1 . 2]"
82 PSI 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 VAL N 90.00 174.00 167.73 154.07 173.98 . . 0 "[ . 1 . 2]"
83 PHI 1 57 GLN C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -71.00 -51.00 -63.59 -52.29 -53.82 0.08 12 0 "[ . 1 . 2]"
84 PSI 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 LEU N -46.00 -34.00 -38.96 -36.50 -38.29 0.05 8 0 "[ . 1 . 2]"
85 PHI 1 58 ALA C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -71.00 -55.00 -57.87 -59.37 -60.85 0.14 5 0 "[ . 1 . 2]"
86 PSI 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 SER N -57.00 -21.00 -29.27 -50.40 -15.94 5.06 17 1 "[ . 1 . + 2]"
87 PHI 1 59 LEU C 1 60 SER N 1 60 SER CA 1 60 SER C -94.00 -46.00 -65.98 -74.86 -84.63 . . 0 "[ . 1 . 2]"
88 PSI 1 60 SER N 1 60 SER CA 1 60 SER C 1 61 SER N -50.00 -6.00 -19.73 -27.10 -6.12 . . 0 "[ . 1 . 2]"
89 PHI 1 60 SER C 1 61 SER N 1 61 SER CA 1 61 SER C -134.00 -74.00 -77.91 -73.93 -73.96 0.17 20 0 "[ . 1 . 2]"
90 PSI 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 SER N -49.00 43.00 -11.55 -28.87 42.56 . . 0 "[ . 1 . 2]"
91 PHI 1 61 SER C 1 62 SER N 1 62 SER CA 1 62 SER C -160.00 -64.00 -74.17 -63.92 -63.96 0.20 5 0 "[ . 1 . 2]"
92 PSI 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 HIS N 138.00 174.00 155.04 142.29 166.81 . . 0 "[ . 1 . 2]"
93 PHI 1 62 SER C 1 63 HIS N 1 63 HIS CA 1 63 HIS C -94.00 -46.00 -93.08 -94.75 -82.16 0.75 12 0 "[ . 1 . 2]"
94 PSI 1 63 HIS N 1 63 HIS CA 1 63 HIS C 1 64 CYS N -60.00 -4.00 -30.45 -39.27 -50.06 . . 0 "[ . 1 . 2]"
95 PHI 1 63 HIS C 1 64 CYS N 1 64 CYS CA 1 64 CYS C -171.00 -95.00 -157.16 -171.57 -140.48 0.57 11 0 "[ . 1 . 2]"
96 PSI 1 64 CYS N 1 64 CYS CA 1 64 CYS C 1 65 ARG N 111.00 179.00 156.93 165.37 161.73 . . 0 "[ . 1 . 2]"
97 PHI 1 64 CYS C 1 65 ARG N 1 65 ARG CA 1 65 ARG C -148.00 -96.00 -144.24 -148.39 -132.64 0.39 20 0 "[ . 1 . 2]"
98 PSI 1 65 ARG N 1 65 ARG CA 1 65 ARG C 1 66 VAL N 102.00 146.00 141.00 119.09 147.06 1.06 18 0 "[ . 1 . 2]"
99 PHI 1 65 ARG C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -148.00 -100.00 -107.69 -105.51 -108.99 0.47 11 0 "[ . 1 . 2]"
100 PSI 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 LEU N 116.00 156.00 118.80 115.06 114.69 1.31 1 0 "[ . 1 . 2]"
101 PHI 1 66 VAL C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -144.00 -84.00 -113.85 -131.76 -104.83 . . 0 "[ . 1 . 2]"
102 PSI 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 LEU N 99.00 143.00 116.86 98.86 131.29 0.14 18 0 "[ . 1 . 2]"
103 PHI 1 67 LEU C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -132.00 -64.00 -129.04 -132.89 -114.20 0.89 10 0 "[ . 1 . 2]"
104 PSI 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ILE N 85.00 157.00 103.14 84.95 120.86 0.05 9 0 "[ . 1 . 2]"
105 PHI 1 68 LEU C 1 69 ILE N 1 69 ILE CA 1 69 ILE C -157.00 -29.00 -140.11 -128.47 -135.18 0.28 7 0 "[ . 1 . 2]"
106 PSI 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 THR N 82.00 -174.00 178.23 176.61 179.96 . . 0 "[ . 1 . 2]"
107 PHI 1 69 ILE C 1 70 THR N 1 70 THR CA 1 70 THR C -146.00 -70.00 -103.40 -110.34 -94.21 . . 0 "[ . 1 . 2]"
108 PSI 1 70 THR N 1 70 THR CA 1 70 THR C 1 71 PRO N 83.00 -157.00 161.54 161.56 161.32 . . 0 "[ . 1 . 2]"
109 PSI 1 71 PRO N 1 71 PRO CA 1 71 PRO C 1 72 GLY N -49.00 -25.00 -31.35 -35.76 -24.74 0.26 7 0 "[ . 1 . 2]"
110 PHI 1 71 PRO C 1 72 GLY N 1 72 GLY CA 1 72 GLY C -83.00 -59.00 -84.79 -85.47 -84.25 2.47 12 0 "[ . 1 . 2]"
111 PSI 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 PHE N -50.00 -18.00 -29.95 -32.61 -33.78 . . 0 "[ . 1 . 2]"
112 PHI 1 72 GLY C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -73.00 -49.00 -75.41 -76.13 -76.28 3.40 12 0 "[ . 1 . 2]"
113 PSI 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 LEU N -49.00 -33.00 -48.09 -48.19 -49.11 0.82 20 0 "[ . 1 . 2]"
114 PHI 1 73 PHE C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -83.00 -47.00 -69.62 -59.58 -59.95 . . 0 "[ . 1 . 2]"
115 PSI 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 GLN N -44.00 4.00 -10.85 -20.91 -22.30 . . 0 "[ . 1 . 2]"
116 PHI 1 74 LEU C 1 75 GLN N 1 75 GLN CA 1 75 GLN C -122.00 -66.00 -67.43 -65.71 -65.84 1.39 9 0 "[ . 1 . 2]"
117 PSI 1 75 GLN N 1 75 GLN CA 1 75 GLN C 1 76 ASP N -34.00 30.00 -20.98 -17.08 -18.87 0.67 12 0 "[ . 1 . 2]"
118 PHI 1 75 GLN C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -124.00 -44.00 -64.34 -79.41 -52.82 . . 0 "[ . 1 . 2]"
119 PSI 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 PRO N 70.00 174.00 158.88 159.38 159.02 . . 0 "[ . 1 . 2]"
120 PSI 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 TRP N -48.00 -20.00 -33.47 -37.59 -28.57 . . 0 "[ . 1 . 2]"
121 PHI 1 77 PRO C 1 78 TRP N 1 78 TRP CA 1 78 TRP C -79.00 -55.00 -61.83 -62.06 -62.30 0.27 19 0 "[ . 1 . 2]"
122 PSI 1 78 TRP N 1 78 TRP CA 1 78 TRP C 1 79 CYS N -51.00 -27.00 -50.29 -53.02 -44.64 2.02 16 0 "[ . 1 . 2]"
123 PHI 1 78 TRP C 1 79 CYS N 1 79 CYS CA 1 79 CYS C -71.00 -55.00 -65.34 -71.53 -61.48 0.53 20 0 "[ . 1 . 2]"
124 PSI 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1 80 LYS N -51.00 -39.00 -38.14 -37.94 -38.10 2.77 16 0 "[ . 1 . 2]"
125 PHI 1 79 CYS C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -70.00 -54.00 -65.70 -68.71 -68.80 0.45 7 0 "[ . 1 . 2]"
126 PSI 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 TYR N -50.00 -30.00 -45.63 -46.01 -47.62 0.47 12 0 "[ . 1 . 2]"
127 PHI 1 80 LYS C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -70.00 -50.00 -69.56 -71.12 -62.75 1.12 5 0 "[ . 1 . 2]"
128 PSI 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 GLN N -54.00 -34.00 -31.86 -33.33 -30.64 3.36 20 0 "[ . 1 . 2]"
129 PHI 1 81 TYR C 1 82 GLN N 1 82 GLN CA 1 82 GLN C -85.00 -53.00 -77.61 -79.02 -73.79 . . 0 "[ . 1 . 2]"
130 PSI 1 82 GLN N 1 82 GLN CA 1 82 GLN C 1 83 MET N -50.00 -22.00 -41.28 -40.44 -41.00 . . 0 "[ . 1 . 2]"
131 PHI 1 82 GLN C 1 83 MET N 1 83 MET CA 1 83 MET C -73.00 -57.00 -75.39 -74.92 -75.17 4.50 15 0 "[ . 1 . 2]"
132 PHI 1 83 MET C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -68.00 -44.00 -51.21 -51.15 -51.24 . . 0 "[ . 1 . 2]"
133 PSI 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLN N -62.00 -30.00 -28.69 -29.85 -22.92 7.08 20 1 "[ . 1 . +]"
134 PHI 1 84 LEU C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -74.00 -54.00 -67.20 -76.98 -65.00 2.98 20 0 "[ . 1 . 2]"
135 PSI 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 ALA N -60.00 -24.00 -32.99 -33.82 -31.61 . . 0 "[ . 1 . 2]"
136 PHI 1 85 GLN C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -83.00 -51.00 -87.66 -88.10 -86.48 5.10 10 8 "[ * .* *+- **. * 2]"
137 PSI 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 LEU N -56.00 -16.00 -15.15 -15.82 -14.40 1.60 5 0 "[ . 1 . 2]"
138 PHI 1 86 ALA C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -98.00 -50.00 -81.63 -81.19 -81.31 . . 0 "[ . 1 . 2]"
139 PSI 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 THR N -61.00 7.00 -64.61 -64.64 -64.72 3.98 20 0 "[ . 1 . 2]"
140 PHI 1 87 LEU C 1 88 THR N 1 88 THR CA 1 88 THR C -127.00 -67.00 -129.03 -129.36 -128.80 2.36 19 0 "[ . 1 . 2]"
141 PSI 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 GLU N -37.00 27.00 -37.86 -38.08 -37.69 1.08 5 0 "[ . 1 . 2]"
142 PHI 1 89 GLU C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -108.00 -48.00 -107.51 -108.41 -105.11 0.41 20 0 "[ . 1 . 2]"
143 PSI 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 PRO N 101.00 -175.00 160.33 160.38 160.33 . . 0 "[ . 1 . 2]"
144 PHI 1 93 ALA C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -122.00 -18.00 -89.43 -87.15 -109.18 0.18 1 0 "[ . 1 . 2]"
145 PSI 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 GLY N 116.00 164.00 144.13 118.89 164.15 0.15 1 0 "[ . 1 . 2]"
146 PHI 1 94 GLU C 1 95 GLY N 1 95 GLY CA 1 95 GLY C 53.00 113.00 91.05 65.63 56.03 0.04 14 0 "[ . 1 . 2]"
147 PSI 1 95 GLY N 1 95 GLY CA 1 95 GLY C 1 96 CYS N -39.00 49.00 43.97 42.25 29.96 0.18 7 0 "[ . 1 . 2]"
148 PHI 1 95 GLY C 1 96 CYS N 1 96 CYS CA 1 96 CYS C -136.00 -36.00 -89.02 -104.99 -67.36 . . 0 "[ . 1 . 2]"
149 PSI 1 96 CYS N 1 96 CYS CA 1 96 CYS C 1 97 THR N 106.00 158.00 143.56 136.61 132.72 0.09 14 0 "[ . 1 . 2]"
150 PHI 1 96 CYS C 1 97 THR N 1 97 THR CA 1 97 THR C -148.00 -52.00 -103.45 -103.30 -103.80 . . 0 "[ . 1 . 2]"
151 PSI 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 ILE N 103.00 159.00 158.03 159.08 158.04 1.85 11 0 "[ . 1 . 2]"
152 PHI 1 97 THR C 1 98 ILE N 1 98 ILE CA 1 98 ILE C -151.00 -107.00 -126.58 -124.96 -125.64 . . 0 "[ . 1 . 2]"
153 PSI 1 98 ILE N 1 98 ILE CA 1 98 ILE C 1 99 PRO N 79.00 159.00 88.20 84.61 83.21 . . 0 "[ . 1 . 2]"
154 PSI 1 99 PRO N 1 99 PRO CA 1 99 PRO C 1 100 LEU N 118.00 170.00 123.05 117.34 143.67 0.66 11 0 "[ . 1 . 2]"
155 PHI 1 99 PRO C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -170.00 -70.00 -101.21 -131.78 -73.03 . . 0 "[ . 1 . 2]"
156 PSI 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 LEU N 101.00 157.00 113.47 100.39 143.87 0.61 16 0 "[ . 1 . 2]"
157 PHI 1 100 LEU C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -130.00 -90.00 -118.40 -125.49 -127.25 0.47 16 0 "[ . 1 . 2]"
158 PSI 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 SER N 90.00 150.00 135.82 103.51 150.40 0.40 16 0 "[ . 1 . 2]"
159 PHI 1 101 LEU C 1 102 SER N 1 102 SER CA 1 102 SER C -151.00 -59.00 -128.13 -150.92 -94.59 . . 0 "[ . 1 . 2]"
160 PSI 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 GLY N 79.00 -161.00 132.85 119.19 107.89 0.30 1 0 "[ . 1 . 2]"
161 PHI 1 102 SER C 1 103 GLY N 1 103 GLY CA 1 103 GLY C 27.00 119.00 84.18 80.41 63.60 0.18 15 0 "[ . 1 . 2]"
162 PSI 1 103 GLY N 1 103 GLY CA 1 103 GLY C 1 104 LEU N -34.00 70.00 35.66 -33.53 70.19 0.19 1 0 "[ . 1 . 2]"
163 PHI 1 103 GLY C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -156.00 -68.00 -125.98 -156.06 -87.18 0.06 15 0 "[ . 1 . 2]"
164 PSI 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 SER N 109.00 -179.00 134.39 138.97 132.93 0.02 12 0 "[ . 1 . 2]"
165 PHI 1 106 ARG C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -83.00 -51.00 -83.97 -84.70 -76.09 1.70 2 0 "[ . 1 . 2]"
166 PSI 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 ALA N -81.00 47.00 38.55 47.87 -30.37 3.40 19 0 "[ . 1 . 2]"
167 PHI 1 107 ALA C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -114.00 -70.00 -95.92 -114.25 -70.20 0.25 2 0 "[ . 1 . 2]"
168 PSI 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 TYR N -45.00 23.00 -17.49 -34.75 -39.03 0.11 5 0 "[ . 1 . 2]"
169 PHI 1 108 ALA C 1 109 TYR N 1 109 TYR CA 1 109 TYR C -150.00 -30.00 -84.72 -78.00 -100.20 . . 0 "[ . 1 . 2]"
170 PSI 1 109 TYR N 1 109 TYR CA 1 109 TYR C 1 110 PRO N 61.00 177.00 157.03 157.42 155.20 . . 0 "[ . 1 . 2]"
171 PSI 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 PRO N 124.00 164.00 164.40 155.47 167.51 3.51 10 0 "[ . 1 . 2]"
172 PSI 1 111 PRO N 1 111 PRO CA 1 111 PRO C 1 112 GLU N -45.00 -21.00 -27.17 -42.12 -20.41 0.59 17 0 "[ . 1 . 2]"
173 PHI 1 111 PRO C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -70.00 -50.00 -60.45 -70.80 -49.99 0.80 10 0 "[ . 1 . 2]"
174 PSI 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 LEU N -55.00 -7.00 -34.12 -52.98 -19.64 . . 0 "[ . 1 . 2]"
175 PHI 1 112 GLU C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -126.00 -58.00 -85.36 -107.06 -57.96 0.04 15 0 "[ . 1 . 2]"
176 PSI 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 ARG N -61.00 47.00 11.97 19.96 1.44 0.34 10 0 "[ . 1 . 2]"
177 PHI 1 119 VAL C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -155.00 -27.00 -93.66 -65.98 -88.39 0.89 12 0 "[ . 1 . 2]"
178 PSI 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 GLY N 100.00 160.00 148.88 96.94 160.22 3.06 19 0 "[ . 1 . 2]"
179 PHI 1 120 ASP C 1 121 GLY N 1 121 GLY CA 1 121 GLY C 56.00 112.00 105.23 62.86 112.07 0.07 15 0 "[ . 1 . 2]"
180 PSI 1 121 GLY N 1 121 GLY CA 1 121 GLY C 1 122 ARG N -34.00 38.00 29.46 -41.25 38.29 7.25 19 1 "[ . 1 . +2]"
181 PHI 1 121 GLY C 1 122 ARG N 1 122 ARG CA 1 122 ARG C -145.00 -33.00 -73.15 -52.65 -61.44 3.55 19 0 "[ . 1 . 2]"
182 PSI 1 122 ARG N 1 122 ARG CA 1 122 ARG C 1 123 GLY N 111.00 -177.00 140.91 111.08 -176.64 0.36 19 0 "[ . 1 . 2]"
183 PHI 1 124 PRO C 1 125 ASP N 1 125 ASP CA 1 125 ASP C -124.00 -52.00 -103.06 -63.64 -91.97 0.22 15 0 "[ . 1 . 2]"
184 PSI 1 125 ASP N 1 125 ASP CA 1 125 ASP C 1 126 GLY N -26.00 14.00 -13.77 -26.82 14.37 0.82 19 0 "[ . 1 . 2]"
185 PHI 1 125 ASP C 1 126 GLY N 1 126 GLY CA 1 126 GLY C 46.00 98.00 86.07 51.73 98.09 0.09 17 0 "[ . 1 . 2]"
186 PSI 1 126 GLY N 1 126 GLY CA 1 126 GLY C 1 127 GLY N -7.00 45.00 22.42 43.72 39.47 0.65 17 0 "[ . 1 . 2]"
187 PHI 1 127 GLY C 1 128 PHE N 1 128 PHE CA 1 128 PHE C -128.00 -28.00 -73.62 -124.76 -51.14 . . 0 "[ . 1 . 2]"
188 PSI 1 128 PHE N 1 128 PHE CA 1 128 PHE C 1 129 ARG N -93.00 43.00 -58.75 -29.97 -39.22 . . 0 "[ . 1 . 2]"
189 PHI 1 128 PHE C 1 129 ARG N 1 129 ARG CA 1 129 ARG C -69.00 -57.00 -66.08 -69.04 -69.21 0.86 12 0 "[ . 1 . 2]"
190 PSI 1 129 ARG N 1 129 ARG CA 1 129 ARG C 1 130 GLN N -51.00 -31.00 -29.23 -28.14 -28.26 2.99 17 0 "[ . 1 . 2]"
191 PHI 1 129 ARG C 1 130 GLN N 1 130 GLN CA 1 130 GLN C -75.00 -55.00 -54.61 -53.61 -53.66 1.61 3 0 "[ . 1 . 2]"
192 PSI 1 130 GLN N 1 130 GLN CA 1 130 GLN C 1 131 VAL N -52.00 -24.00 -24.27 -24.03 -24.44 1.81 18 0 "[ . 1 . 2]"
193 PHI 1 130 GLN C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -74.00 -58.00 -57.11 -57.55 -57.71 2.18 19 0 "[ . 1 . 2]"
194 PSI 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 LYS N -49.00 -33.00 -35.08 -47.66 -32.03 0.97 16 0 "[ . 1 . 2]"
195 PHI 1 131 VAL C 1 132 LYS N 1 132 LYS CA 1 132 LYS C -69.00 -57.00 -69.61 -70.82 -67.58 1.82 19 0 "[ . 1 . 2]"
196 PSI 1 132 LYS N 1 132 LYS CA 1 132 LYS C 1 133 GLU N -55.00 -35.00 -39.67 -53.88 -32.74 2.26 11 0 "[ . 1 . 2]"
197 PHI 1 132 LYS C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -72.00 -52.00 -67.28 -72.15 -72.50 2.49 15 0 "[ . 1 . 2]"
198 PSI 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 ALA N -51.00 -31.00 -30.04 -30.99 -27.90 3.10 16 0 "[ . 1 . 2]"
199 PHI 1 133 GLU C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -78.00 -54.00 -60.30 -61.45 -62.57 1.92 12 0 "[ . 1 . 2]"
200 PSI 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 VAL N -65.00 -17.00 -44.94 -46.85 -47.65 . . 0 "[ . 1 . 2]"
201 PHI 1 134 ALA C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -91.00 -47.00 -75.13 -91.88 -64.85 0.88 16 0 "[ . 1 . 2]"
202 PSI 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 MET N -60.00 -20.00 -21.16 -28.13 -18.66 1.34 20 0 "[ . 1 . 2]"
203 PHI 1 135 VAL C 1 136 MET N 1 136 MET CA 1 136 MET C -80.00 -52.00 -73.86 -68.69 -69.58 0.57 16 0 "[ . 1 . 2]"
204 PSI 1 136 MET N 1 136 MET CA 1 136 MET C 1 137 ARG N -52.00 -24.00 -27.30 -23.87 -24.05 1.55 4 0 "[ . 1 . 2]"
205 PHI 1 136 MET C 1 137 ARG N 1 137 ARG CA 1 137 ARG C -81.00 -53.00 -63.02 -75.61 -76.62 0.40 12 0 "[ . 1 . 2]"
206 PSI 1 137 ARG N 1 137 ARG CA 1 137 ARG C 1 138 TYR N -55.00 -19.00 -22.71 -19.61 -20.85 1.46 8 0 "[ . 1 . 2]"
207 PHI 1 137 ARG C 1 138 TYR N 1 138 TYR CA 1 138 TYR C -74.00 -54.00 -72.50 -74.36 -74.47 0.83 7 0 "[ . 1 . 2]"
208 PSI 1 138 TYR N 1 138 TYR CA 1 138 TYR C 1 139 LEU N -53.00 -33.00 -38.15 -54.21 -32.44 1.21 8 0 "[ . 1 . 2]"
209 PHI 1 138 TYR C 1 139 LEU N 1 139 LEU CA 1 139 LEU C -71.00 -51.00 -60.89 -73.83 -54.19 2.83 13 0 "[ . 1 . 2]"
210 PSI 1 139 LEU N 1 139 LEU CA 1 139 LEU C 1 140 GLN N -60.00 -20.00 -18.48 -18.58 -19.06 3.13 15 0 "[ . 1 . 2]"
211 PHI 1 139 LEU C 1 140 GLN N 1 140 GLN CA 1 140 GLN C -91.00 -47.00 -56.25 -55.23 -55.25 . . 0 "[ . 1 . 2]"
212 PSI 1 140 GLN N 1 140 GLN CA 1 140 GLN C 1 141 THR N -58.00 -6.00 -22.83 -24.55 -18.76 . . 0 "[ . 1 . 2]"
213 PHI 1 140 GLN C 1 141 THR N 1 141 THR CA 1 141 THR C -110.00 -70.00 -73.73 -88.41 -68.78 1.22 8 0 "[ . 1 . 2]"
214 PSI 1 141 THR N 1 141 THR CA 1 141 THR C 1 142 LEU N -39.00 17.00 -16.95 -20.59 -21.10 . . 0 "[ . 1 . 2]"
215 PHI 1 141 THR C 1 142 LEU N 1 142 LEU CA 1 142 LEU C -144.00 -36.00 -106.13 -133.39 -96.48 . . 0 "[ . 1 . 2]"
216 PSI 1 142 LEU N 1 142 LEU CA 1 142 LEU C 1 143 SER N 41.00 177.00 38.60 39.82 39.80 6.09 7 5 "[ . + * *-* 2]"
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