NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529065 |
2rrk   |
11422 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rrk
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 186
_TA_constraint_stats_list.Viol_count 393
_TA_constraint_stats_list.Viol_total 9272.08
_TA_constraint_stats_list.Viol_max 4.80
_TA_constraint_stats_list.Viol_rms 0.50
_TA_constraint_stats_list.Viol_average_all_restraints 0.12
_TA_constraint_stats_list.Viol_average_violations_only 1.18
_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 6 MET C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -119.00 -69.00 -96.82 -108.07 -118.13 1.61 18 0 "[ . 1 . 2]"
2 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 MET N 122.00 172.00 146.58 122.64 161.60 . . 0 "[ . 1 . 2]"
3 . 1 7 LYS C 1 8 MET N 1 8 MET CA 1 8 MET C -125.08 -75.08 -101.34 -112.96 -94.45 . . 0 "[ . 1 . 2]"
4 . 1 8 MET N 1 8 MET CA 1 8 MET C 1 9 ILE N 102.11 152.11 134.67 126.41 144.96 . . 0 "[ . 1 . 2]"
5 . 1 8 MET C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -141.86 -91.86 -108.50 -115.21 -104.78 . . 0 "[ . 1 . 2]"
6 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 GLU N 102.54 152.54 114.59 114.54 112.81 . . 0 "[ . 1 . 2]"
7 . 1 9 ILE C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -134.63 -84.63 -95.23 -100.01 -88.75 . . 0 "[ . 1 . 2]"
8 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 VAL N 100.89 150.89 123.23 113.33 127.61 . . 0 "[ . 1 . 2]"
9 . 1 10 GLU C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -148.23 -98.23 -126.64 -128.53 -130.37 . . 0 "[ . 1 . 2]"
10 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 VAL N 111.87 161.87 128.80 117.35 141.23 . . 0 "[ . 1 . 2]"
11 . 1 11 VAL C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -149.57 -99.57 -103.65 -106.96 -107.76 1.58 17 0 "[ . 1 . 2]"
12 . 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 ALA N 125.19 175.19 133.27 135.51 134.99 . . 0 "[ . 1 . 2]"
13 . 1 12 VAL C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -158.56 -108.56 -114.81 -116.54 -117.25 . . 0 "[ . 1 . 2]"
14 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 ALA N 109.60 159.60 129.94 124.10 133.43 . . 0 "[ . 1 . 2]"
15 . 1 13 ALA C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -153.93 -103.93 -102.36 -102.28 -102.50 3.08 18 0 "[ . 1 . 2]"
16 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 ILE N 107.87 157.87 116.13 108.38 123.92 . . 0 "[ . 1 . 2]"
17 . 1 14 ALA C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -110.00 -60.00 -93.21 -94.88 -95.10 . . 0 "[ . 1 . 2]"
18 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 ILE N 101.00 151.00 100.33 98.30 105.02 2.70 9 0 "[ . 1 . 2]"
19 . 1 15 ILE C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -124.39 -74.39 -87.25 -92.34 -93.54 . . 0 "[ . 1 . 2]"
20 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 GLU N 102.20 152.20 103.69 104.12 103.40 1.40 17 0 "[ . 1 . 2]"
21 . 1 16 ILE C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -142.07 -92.07 -112.63 -123.35 -103.22 . . 0 "[ . 1 . 2]"
22 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ARG N 108.22 158.22 118.92 120.91 119.59 0.13 1 0 "[ . 1 . 2]"
23 . 1 17 GLU C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -155.28 -105.28 -136.56 -151.69 -119.75 . . 0 "[ . 1 . 2]"
24 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 ASP N 95.22 145.22 130.28 113.66 146.57 1.35 12 0 "[ . 1 . 2]"
25 . 1 20 GLY C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -136.80 -86.80 -116.74 -123.14 -109.51 . . 0 "[ . 1 . 2]"
26 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ILE N 133.39 -176.61 147.48 138.54 161.30 . . 0 "[ . 1 . 2]"
27 . 1 21 LYS C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -155.04 -105.04 -104.69 -103.70 -104.11 2.10 8 0 "[ . 1 . 2]"
28 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 LEU N 119.22 169.22 146.55 139.77 150.16 . . 0 "[ . 1 . 2]"
29 . 1 22 ILE C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -123.00 -73.00 -86.21 -83.40 -85.74 . . 0 "[ . 1 . 2]"
30 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 LEU N 109.00 159.00 118.69 109.69 123.29 . . 0 "[ . 1 . 2]"
31 . 1 23 LEU C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -138.79 -88.79 -112.49 -115.24 -115.62 . . 0 "[ . 1 . 2]"
32 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 ALA N 119.37 169.37 138.10 127.81 154.90 . . 0 "[ . 1 . 2]"
33 . 1 24 LEU C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -143.40 -93.40 -118.71 -118.23 -119.11 . . 0 "[ . 1 . 2]"
34 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 GLN N 102.25 152.25 121.15 125.30 123.20 . . 0 "[ . 1 . 2]"
35 . 1 25 ALA C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -120.66 -70.66 -73.34 -88.35 -68.14 2.52 15 0 "[ . 1 . 2]"
36 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 ARG N 96.21 146.21 111.82 98.21 145.60 . . 0 "[ . 1 . 2]"
37 . 1 29 ALA C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -115.10 -65.10 -100.59 -104.29 -111.73 1.77 17 0 "[ . 1 . 2]"
38 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 SER N -32.66 17.34 2.54 13.67 11.37 0.92 18 0 "[ . 1 . 2]"
39 . 1 34 ALA C 1 35 GLY N 1 35 GLY CA 1 35 GLY C 64.00 114.00 104.85 83.44 115.24 1.24 20 0 "[ . 1 . 2]"
40 . 1 35 GLY N 1 35 GLY CA 1 35 GLY C 1 36 LEU N -27.00 23.00 -24.52 -26.48 -27.80 2.92 8 0 "[ . 1 . 2]"
41 . 1 35 GLY C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -128.00 -78.00 -77.95 -76.03 -76.53 3.73 4 0 "[ . 1 . 2]"
42 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 TRP N 105.00 155.00 148.49 141.99 120.81 1.51 6 0 "[ . 1 . 2]"
43 . 1 36 LEU C 1 37 TRP N 1 37 TRP CA 1 37 TRP C -130.00 -80.00 -114.49 -122.22 -97.88 . . 0 "[ . 1 . 2]"
44 . 1 37 TRP N 1 37 TRP CA 1 37 TRP C 1 38 GLU N 109.00 159.00 150.43 156.83 155.93 0.20 12 0 "[ . 1 . 2]"
45 . 1 37 TRP C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -158.69 -108.69 -143.40 -156.12 -131.30 . . 0 "[ . 1 . 2]"
46 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 PHE N 133.10 -176.90 165.16 170.89 166.63 . . 0 "[ . 1 . 2]"
47 . 1 38 GLU C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -123.00 -73.00 -82.66 -83.38 -85.98 . . 0 "[ . 1 . 2]"
48 . 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 ALA N 109.00 159.00 137.33 127.85 122.35 0.86 14 0 "[ . 1 . 2]"
49 . 1 42 GLY C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -128.36 -78.36 -87.19 -124.84 -77.86 0.50 1 0 "[ . 1 . 2]"
50 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 VAL N 109.66 159.66 150.70 153.49 152.59 . . 0 "[ . 1 . 2]"
51 . 1 48 GLU C 1 49 SER N 1 49 SER CA 1 49 SER C -110.70 -60.70 -90.98 -105.50 -81.56 . . 0 "[ . 1 . 2]"
52 . 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 GLN N 140.70 -169.30 161.61 156.89 155.67 . . 0 "[ . 1 . 2]"
53 . 1 49 SER C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -84.08 -34.08 -61.31 -70.69 -54.95 . . 0 "[ . 1 . 2]"
54 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 ARG N -61.00 -11.00 -47.01 -57.03 -33.91 . . 0 "[ . 1 . 2]"
55 . 1 50 GLN C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -85.31 -35.31 -66.35 -72.98 -58.89 . . 0 "[ . 1 . 2]"
56 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 GLN N -67.76 -17.76 -35.67 -36.78 -38.01 . . 0 "[ . 1 . 2]"
57 . 1 51 ARG C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -87.28 -37.28 -68.25 -65.31 -66.43 . . 0 "[ . 1 . 2]"
58 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 ALA N -62.17 -12.17 -40.54 -46.14 -32.23 . . 0 "[ . 1 . 2]"
59 . 1 52 GLN C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -88.83 -38.83 -60.28 -62.65 -57.77 . . 0 "[ . 1 . 2]"
60 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 LEU N -67.06 -17.06 -46.47 -45.84 -46.31 . . 0 "[ . 1 . 2]"
61 . 1 53 ALA C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -87.23 -37.23 -60.77 -62.97 -58.26 . . 0 "[ . 1 . 2]"
62 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 VAL N -70.68 -20.68 -46.51 -49.11 -43.18 . . 0 "[ . 1 . 2]"
63 . 1 54 LEU C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -88.81 -38.81 -59.53 -61.96 -56.94 . . 0 "[ . 1 . 2]"
64 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 ARG N -67.44 -17.44 -45.49 -45.45 -45.98 . . 0 "[ . 1 . 2]"
65 . 1 55 VAL C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -87.28 -37.28 -73.75 -75.14 -75.86 . . 0 "[ . 1 . 2]"
66 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 GLU N -65.78 -15.78 -42.06 -45.12 -39.65 . . 0 "[ . 1 . 2]"
67 . 1 56 ARG C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -88.40 -38.40 -60.81 -64.60 -57.02 . . 0 "[ . 1 . 2]"
68 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 LEU N -68.47 -18.47 -45.48 -53.75 -40.76 . . 0 "[ . 1 . 2]"
69 . 1 57 GLU C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -88.90 -38.90 -67.35 -62.33 -66.08 . . 0 "[ . 1 . 2]"
70 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ARG N -67.37 -17.37 -32.56 -35.49 -28.93 . . 0 "[ . 1 . 2]"
71 . 1 58 LEU C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -91.65 -41.65 -62.86 -61.84 -62.71 . . 0 "[ . 1 . 2]"
72 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 GLU N -63.81 -13.81 -35.63 -34.58 -35.23 . . 0 "[ . 1 . 2]"
73 . 1 59 ARG C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -86.66 -36.66 -85.22 -89.66 -78.70 3.00 14 0 "[ . 1 . 2]"
74 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 GLU N -63.86 -13.86 -39.49 -40.49 -41.04 . . 0 "[ . 1 . 2]"
75 . 1 60 GLU C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -99.91 -49.91 -88.21 -92.77 -82.19 . . 0 "[ . 1 . 2]"
76 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 LEU N -51.07 -1.07 -48.07 -43.49 -45.91 2.92 18 0 "[ . 1 . 2]"
77 . 1 61 GLU C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -132.37 -82.37 -101.48 -101.55 -102.17 . . 0 "[ . 1 . 2]"
78 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 GLY N -18.76 31.24 -0.17 -21.61 8.51 2.85 6 0 "[ . 1 . 2]"
79 . 1 63 GLY C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -138.39 -88.39 -125.04 -126.15 -127.09 . . 0 "[ . 1 . 2]"
80 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 GLU N 126.69 176.69 143.37 135.72 146.48 . . 0 "[ . 1 . 2]"
81 . 1 64 ILE C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -121.77 -71.77 -91.95 -100.81 -86.56 . . 0 "[ . 1 . 2]"
82 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 ALA N 93.43 143.43 97.04 93.16 104.07 0.27 6 0 "[ . 1 . 2]"
83 . 1 65 GLU C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -129.00 -79.00 -85.22 -96.44 -78.19 0.81 10 0 "[ . 1 . 2]"
84 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 THR N 107.00 157.00 154.14 156.47 155.29 4.80 17 0 "[ . 1 . 2]"
85 . 1 66 ALA C 1 67 THR N 1 67 THR CA 1 67 THR C -120.43 -70.43 -113.00 -119.46 -107.05 . . 0 "[ . 1 . 2]"
86 . 1 67 THR N 1 67 THR CA 1 67 THR C 1 68 VAL N 104.35 154.35 108.54 103.63 143.89 0.72 7 0 "[ . 1 . 2]"
87 . 1 70 GLU C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -102.48 -52.48 -87.08 -104.83 -77.74 2.35 2 0 "[ . 1 . 2]"
88 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 VAL N 101.30 151.30 132.38 113.65 149.17 . . 0 "[ . 1 . 2]"
89 . 1 71 TYR C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -124.08 -74.08 -95.80 -100.99 -92.10 . . 0 "[ . 1 . 2]"
90 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 ALA N -66.50 -16.50 -70.26 -71.25 -68.46 4.75 8 0 "[ . 1 . 2]"
91 . 1 72 VAL C 1 73 ALA N 1 73 ALA CA 1 73 ALA C 173.29 -136.71 -157.82 -167.96 -137.21 . . 0 "[ . 1 . 2]"
92 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 SER N 132.89 -177.11 175.07 171.47 169.06 0.39 5 0 "[ . 1 . 2]"
93 . 1 73 ALA C 1 74 SER N 1 74 SER CA 1 74 SER C -162.43 -112.43 -139.57 -162.97 -123.83 0.54 14 0 "[ . 1 . 2]"
94 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 HIS N 123.12 173.12 149.02 136.74 156.16 . . 0 "[ . 1 . 2]"
95 . 1 74 SER C 1 75 HIS N 1 75 HIS CA 1 75 HIS C -154.17 -104.17 -138.00 -133.78 -135.17 . . 0 "[ . 1 . 2]"
96 . 1 75 HIS N 1 75 HIS CA 1 75 HIS C 1 76 GLN N 107.34 157.34 140.67 130.35 148.75 . . 0 "[ . 1 . 2]"
97 . 1 75 HIS C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -146.22 -96.22 -109.69 -105.36 -108.33 . . 0 "[ . 1 . 2]"
98 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 ARG N 115.64 165.64 141.93 139.23 137.83 . . 0 "[ . 1 . 2]"
99 . 1 76 GLN C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -162.47 -112.47 -152.06 -160.76 -138.29 . . 0 "[ . 1 . 2]"
100 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 GLU N 123.89 173.89 170.90 174.90 174.19 2.82 14 0 "[ . 1 . 2]"
101 . 1 77 ARG C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -124.40 -74.40 -117.54 -124.63 -104.04 0.23 9 0 "[ . 1 . 2]"
102 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 VAL N 99.62 149.62 149.59 150.41 149.84 3.09 10 0 "[ . 1 . 2]"
103 . 1 78 GLU C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -136.35 -86.35 -121.69 -117.99 -119.70 . . 0 "[ . 1 . 2]"
104 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 SER N 96.93 146.93 94.75 93.11 96.32 3.82 17 0 "[ . 1 . 2]"
105 . 1 80 SER C 1 81 GLY N 1 81 GLY CA 1 81 GLY C 63.58 113.58 84.09 89.91 87.01 . . 0 "[ . 1 . 2]"
106 . 1 81 GLY N 1 81 GLY CA 1 81 GLY C 1 82 ARG N -22.74 27.26 -16.00 -24.34 17.25 1.60 17 0 "[ . 1 . 2]"
107 . 1 81 GLY C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -137.60 -87.60 -101.17 -127.97 -92.36 . . 0 "[ . 1 . 2]"
108 . 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 ILE N 123.95 173.95 136.91 138.42 137.86 . . 0 "[ . 1 . 2]"
109 . 1 82 ARG C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -130.40 -80.40 -95.05 -104.56 -90.06 . . 0 "[ . 1 . 2]"
110 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 ILE N 100.47 150.47 114.46 115.75 115.18 . . 0 "[ . 1 . 2]"
111 . 1 83 ILE C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -131.31 -81.31 -90.41 -94.22 -86.07 . . 0 "[ . 1 . 2]"
112 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 HIS N 101.31 151.31 133.99 137.20 135.81 . . 0 "[ . 1 . 2]"
113 . 1 84 ILE C 1 85 HIS N 1 85 HIS CA 1 85 HIS C -136.29 -86.29 -117.69 -125.62 -108.62 . . 0 "[ . 1 . 2]"
114 . 1 85 HIS N 1 85 HIS CA 1 85 HIS C 1 86 LEU N 98.22 148.22 99.98 97.98 97.83 1.36 12 0 "[ . 1 . 2]"
115 . 1 85 HIS C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -132.96 -82.96 -91.05 -91.38 -93.01 . . 0 "[ . 1 . 2]"
116 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 HIS N 113.22 163.22 128.55 117.72 135.98 . . 0 "[ . 1 . 2]"
117 . 1 86 LEU C 1 87 HIS N 1 87 HIS CA 1 87 HIS C -141.62 -91.62 -111.84 -116.35 -118.72 . . 0 "[ . 1 . 2]"
118 . 1 87 HIS N 1 87 HIS CA 1 87 HIS C 1 88 ALA N 113.13 163.13 114.73 119.34 116.92 0.41 13 0 "[ . 1 . 2]"
119 . 1 87 HIS C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -140.18 -90.18 -92.33 -99.22 -88.58 1.60 18 0 "[ . 1 . 2]"
120 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 TRP N 107.12 157.12 114.96 108.92 107.46 2.13 3 0 "[ . 1 . 2]"
121 . 1 88 ALA C 1 89 TRP N 1 89 TRP CA 1 89 TRP C -151.28 -101.28 -112.84 -109.12 -110.56 . . 0 "[ . 1 . 2]"
122 . 1 89 TRP N 1 89 TRP CA 1 89 TRP C 1 90 HIS N 109.21 159.21 142.02 147.23 143.71 . . 0 "[ . 1 . 2]"
123 . 1 89 TRP C 1 90 HIS N 1 90 HIS CA 1 90 HIS C -135.35 -85.35 -91.41 -103.03 -84.83 0.52 7 0 "[ . 1 . 2]"
124 . 1 90 HIS N 1 90 HIS CA 1 90 HIS C 1 91 VAL N 101.89 151.89 123.90 125.66 123.04 . . 0 "[ . 1 . 2]"
125 . 1 90 HIS C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -141.53 -91.53 -91.87 -91.26 -91.43 4.25 19 0 "[ . 1 . 2]"
126 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 PRO N 98.93 148.93 106.25 99.77 112.42 . . 0 "[ . 1 . 2]"
127 . 1 92 PRO C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -158.00 -108.00 -154.07 -148.35 -150.92 1.95 16 0 "[ . 1 . 2]"
128 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 PHE N 135.00 -175.00 145.97 137.61 172.49 . . 0 "[ . 1 . 2]"
129 . 1 93 ASP C 1 94 PHE N 1 94 PHE CA 1 94 PHE C -149.38 -99.38 -146.69 -152.59 -137.25 3.21 10 0 "[ . 1 . 2]"
130 . 1 94 PHE N 1 94 PHE CA 1 94 PHE C 1 95 HIS N 116.33 166.33 142.93 136.92 136.43 1.52 17 0 "[ . 1 . 2]"
131 . 1 94 PHE C 1 95 HIS N 1 95 HIS CA 1 95 HIS C -132.68 -82.68 -108.31 -126.42 -91.10 . . 0 "[ . 1 . 2]"
132 . 1 95 HIS N 1 95 HIS CA 1 95 HIS C 1 96 GLY N 121.05 171.05 123.49 119.23 140.32 1.82 5 0 "[ . 1 . 2]"
133 . 1 96 GLY C 1 97 THR N 1 97 THR CA 1 97 THR C -130.27 -80.27 -122.62 -124.32 -125.73 0.14 15 0 "[ . 1 . 2]"
134 . 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 LEU N 105.74 155.74 127.55 113.78 142.34 . . 0 "[ . 1 . 2]"
135 . 1 97 THR C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -104.30 -54.30 -73.62 -81.72 -57.19 . . 0 "[ . 1 . 2]"
136 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 GLN N 102.28 152.28 123.48 116.58 132.78 . . 0 "[ . 1 . 2]"
137 . 1 98 LEU C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -139.87 -89.87 -131.57 -140.86 -123.30 0.99 14 0 "[ . 1 . 2]"
138 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 ALA N 120.31 170.31 163.32 166.30 164.55 0.76 17 0 "[ . 1 . 2]"
139 . 1 99 GLN C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -113.98 -63.98 -108.10 -114.08 -93.22 0.10 16 0 "[ . 1 . 2]"
140 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 HIS N 96.44 146.44 113.92 115.38 110.49 . . 0 "[ . 1 . 2]"
141 . 1 104 GLN C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -146.88 -96.88 -121.13 -147.20 -98.14 0.32 2 0 "[ . 1 . 2]"
142 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 LEU N 125.29 175.29 158.91 158.22 156.75 . . 0 "[ . 1 . 2]"
143 . 1 105 ALA C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -150.81 -100.81 -125.90 -123.70 -127.84 . . 0 "[ . 1 . 2]"
144 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 VAL N 122.40 172.40 133.06 134.42 130.21 0.34 12 0 "[ . 1 . 2]"
145 . 1 106 LEU C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -161.90 -111.90 -132.57 -129.69 -130.62 . . 0 "[ . 1 . 2]"
146 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 TRP N 115.27 165.27 142.00 128.72 148.91 . . 0 "[ . 1 . 2]"
147 . 1 107 VAL C 1 108 TRP N 1 108 TRP CA 1 108 TRP C -133.21 -83.21 -104.14 -101.14 -102.92 . . 0 "[ . 1 . 2]"
148 . 1 108 TRP N 1 108 TRP CA 1 108 TRP C 1 109 CYS N 102.00 152.00 116.03 110.09 125.38 . . 0 "[ . 1 . 2]"
149 . 1 108 TRP C 1 109 CYS N 1 109 CYS CA 1 109 CYS C -148.00 -98.00 -137.32 -136.73 -137.30 . . 0 "[ . 1 . 2]"
150 . 1 109 CYS N 1 109 CYS CA 1 109 CYS C 1 110 SER N 105.00 155.00 154.54 148.00 157.97 2.97 13 0 "[ . 1 . 2]"
151 . 1 111 PRO C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -85.21 -35.21 -68.69 -89.13 -63.42 3.92 15 0 "[ . 1 . 2]"
152 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 GLU N -67.80 -17.80 -32.05 -33.09 -35.36 . . 0 "[ . 1 . 2]"
153 . 1 112 GLU C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -90.43 -40.43 -70.19 -74.43 -65.71 . . 0 "[ . 1 . 2]"
154 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 ALA N -62.90 -12.90 -39.05 -39.67 -40.76 . . 0 "[ . 1 . 2]"
155 . 1 113 GLU C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -91.31 -41.31 -58.71 -59.10 -59.72 . . 0 "[ . 1 . 2]"
156 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 LEU N -66.00 -16.00 -39.80 -40.56 -41.35 . . 0 "[ . 1 . 2]"
157 . 1 114 ALA C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -97.35 -47.35 -73.88 -77.30 -71.36 . . 0 "[ . 1 . 2]"
158 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 GLN N -57.03 -7.03 -12.41 -16.21 -7.65 . . 0 "[ . 1 . 2]"
159 . 1 115 LEU C 1 116 GLN N 1 116 GLN CA 1 116 GLN C -115.00 -65.00 -85.67 -80.48 -82.02 . . 0 "[ . 1 . 2]"
160 . 1 116 GLN N 1 116 GLN CA 1 116 GLN C 1 117 TYR N -39.00 11.00 -7.76 -14.96 2.74 . . 0 "[ . 1 . 2]"
161 . 1 116 GLN C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -106.00 -56.00 -92.14 -94.71 -98.34 0.25 1 0 "[ . 1 . 2]"
162 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 PRO N 124.00 174.00 161.56 154.69 170.11 . . 0 "[ . 1 . 2]"
163 . 1 118 PRO C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -131.55 -81.55 -85.48 -96.58 -79.87 1.68 17 0 "[ . 1 . 2]"
164 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 ALA N 102.55 152.55 152.78 149.01 153.88 1.33 18 0 "[ . 1 . 2]"
165 . 1 121 PRO C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -99.04 -49.04 -93.33 -87.34 -89.98 0.21 17 0 "[ . 1 . 2]"
166 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C 1 123 ASP N -46.94 3.06 -24.20 -33.36 -13.88 . . 0 "[ . 1 . 2]"
167 . 1 125 PRO C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -93.24 -43.24 -72.79 -73.82 -75.23 . . 0 "[ . 1 . 2]"
168 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 LEU N -67.86 -17.86 -42.46 -43.89 -44.42 . . 0 "[ . 1 . 2]"
169 . 1 126 LEU C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -88.17 -38.17 -72.52 -76.82 -69.56 . . 0 "[ . 1 . 2]"
170 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C 1 128 GLU N -64.46 -14.46 -37.60 -37.39 -37.54 . . 0 "[ . 1 . 2]"
171 . 1 127 LEU C 1 128 GLU N 1 128 GLU CA 1 128 GLU C -88.58 -38.58 -52.44 -57.39 -47.90 . . 0 "[ . 1 . 2]"
172 . 1 128 GLU N 1 128 GLU CA 1 128 GLU C 1 129 ALA N -64.10 -14.10 -43.04 -44.79 -45.56 . . 0 "[ . 1 . 2]"
173 . 1 128 GLU C 1 129 ALA N 1 129 ALA CA 1 129 ALA C -91.92 -41.92 -80.66 -80.38 -80.63 . . 0 "[ . 1 . 2]"
174 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C 1 130 PHE N -63.38 -13.38 -21.14 -15.36 -17.19 . . 0 "[ . 1 . 2]"
175 . 1 129 ALA C 1 130 PHE N 1 130 PHE CA 1 130 PHE C -89.36 -39.36 -71.75 -76.43 -65.95 . . 0 "[ . 1 . 2]"
176 . 1 130 PHE N 1 130 PHE CA 1 130 PHE C 1 131 MET N -70.61 -20.61 -46.59 -47.36 -47.76 . . 0 "[ . 1 . 2]"
177 . 1 130 PHE C 1 131 MET N 1 131 MET CA 1 131 MET C -88.49 -38.49 -68.78 -65.52 -67.06 . . 0 "[ . 1 . 2]"
178 . 1 131 MET N 1 131 MET CA 1 131 MET C 1 132 ALA N -65.19 -15.19 -33.59 -38.25 -29.20 . . 0 "[ . 1 . 2]"
179 . 1 131 MET C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -90.30 -40.30 -59.34 -64.38 -55.17 . . 0 "[ . 1 . 2]"
180 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C 1 133 LEU N -61.15 -11.15 -42.58 -40.97 -41.24 . . 0 "[ . 1 . 2]"
181 . 1 132 ALA C 1 133 LEU N 1 133 LEU CA 1 133 LEU C -94.00 -44.00 -65.77 -68.49 -62.51 . . 0 "[ . 1 . 2]"
182 . 1 133 LEU N 1 133 LEU CA 1 133 LEU C 1 134 ARG N -60.00 -10.00 -36.60 -30.09 -32.48 . . 0 "[ . 1 . 2]"
183 . 1 133 LEU C 1 134 ARG N 1 134 ARG CA 1 134 ARG C -93.00 -43.00 -81.43 -93.71 -70.52 0.71 12 0 "[ . 1 . 2]"
184 . 1 134 ARG N 1 134 ARG CA 1 134 ARG C 1 135 ALA N -60.00 -10.00 -20.57 -25.69 -27.85 0.08 14 0 "[ . 1 . 2]"
185 . 1 134 ARG C 1 135 ALA N 1 135 ALA CA 1 135 ALA C -116.00 -66.00 -90.16 -88.63 -90.12 . . 0 "[ . 1 . 2]"
186 . 1 135 ALA N 1 135 ALA CA 1 135 ALA C 1 136 ALA N -39.00 11.00 -37.85 -39.71 -40.18 1.48 9 0 "[ . 1 . 2]"
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