NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403585 |
1wki   |
6255 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1wki
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 162
_TA_constraint_stats_list.Viol_count 1055
_TA_constraint_stats_list.Viol_total 14187.80
_TA_constraint_stats_list.Viol_max 5.04
_TA_constraint_stats_list.Viol_rms 0.46
_TA_constraint_stats_list.Viol_average_all_restraints 0.10
_TA_constraint_stats_list.Viol_average_violations_only 0.45
_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 2 LEU C 1 3 MET N 1 3 MET CA 1 3 MET C -144.00 -66.00 -111.78 -143.47 -65.94 0.06 18 0 "[ . 1 . 2 . 3]"
2 . 1 3 MET N 1 3 MET CA 1 3 MET C 1 4 PRO N 82.00 148.00 114.14 102.20 95.19 0.16 30 0 "[ . 1 . 2 . 3]"
3 . 1 6 ARG C 1 7 MET N 1 7 MET CA 1 7 MET C -108.50 -63.50 -85.62 -108.58 -63.41 0.09 10 0 "[ . 1 . 2 . 3]"
4 . 1 7 MET N 1 7 MET CA 1 7 MET C 1 8 LYS N 103.50 172.50 138.80 103.32 172.60 0.18 28 0 "[ . 1 . 2 . 3]"
5 . 1 9 TYR C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -112.00 -64.00 -97.75 -87.51 -91.38 . . 0 "[ . 1 . 2 . 3]"
6 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 LYS N 105.50 162.50 136.27 105.47 162.50 0.03 20 0 "[ . 1 . 2 . 3]"
7 . 1 11 LYS C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -106.00 -64.00 -84.10 -106.06 -63.97 0.06 2 0 "[ . 1 . 2 . 3]"
8 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 GLN N 113.00 167.00 140.01 113.31 166.89 . . 0 "[ . 1 . 2 . 3]"
9 . 1 12 GLN C 1 13 GLN N 1 13 GLN CA 1 13 GLN C -114.50 -63.50 -89.31 -114.57 -63.46 0.07 20 0 "[ . 1 . 2 . 3]"
10 . 1 13 GLN N 1 13 GLN CA 1 13 GLN C 1 14 ARG N 111.50 162.50 132.08 149.70 142.81 . . 0 "[ . 1 . 2 . 3]"
11 . 1 17 LEU C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -111.50 -78.50 -92.37 -109.52 -78.49 0.01 30 0 "[ . 1 . 2 . 3]"
12 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 GLY N -27.50 23.50 -8.55 -27.54 -27.55 0.18 6 0 "[ . 1 . 2 . 3]"
13 . 1 19 GLY C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -123.50 -54.50 -83.13 -120.15 -59.06 . . 0 "[ . 1 . 2 . 3]"
14 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 THR N 95.50 164.50 134.29 103.47 100.61 0.04 15 0 "[ . 1 . 2 . 3]"
15 . 1 31 ASP C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -156.50 -105.50 -111.73 -125.63 -105.33 0.17 8 0 "[ . 1 . 2 . 3]"
16 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 GLY N 117.00 171.00 169.87 170.26 169.43 0.41 25 0 "[ . 1 . 2 . 3]"
17 . 1 33 GLY C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -148.50 -91.50 -92.86 -91.27 -91.29 0.37 4 0 "[ . 1 . 2 . 3]"
18 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 VAL N 102.00 132.00 110.40 101.87 118.55 0.13 29 0 "[ . 1 . 2 . 3]"
19 . 1 34 LEU C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -130.50 -91.50 -99.70 -101.73 -102.50 0.34 17 0 "[ . 1 . 2 . 3]"
20 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 ALA N 112.50 145.50 145.19 142.67 146.08 0.58 16 0 "[ . 1 . 2 . 3]"
21 . 1 37 LEU C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -164.00 -98.00 -151.48 -164.18 -139.71 0.18 16 0 "[ . 1 . 2 . 3]"
22 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 PRO N 97.50 172.50 146.30 139.00 155.15 . . 0 "[ . 1 . 2 . 3]"
23 . 1 38 GLU C 1 39 PRO N 1 39 PRO CA 1 39 PRO C -133.00 -43.00 -69.51 -68.04 -69.52 . . 0 "[ . 1 . 2 . 3]"
24 . 1 39 PRO N 1 39 PRO CA 1 39 PRO C 1 40 ALA N 116.50 155.50 133.26 136.82 136.35 . . 0 "[ . 1 . 2 . 3]"
25 . 1 39 PRO C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -166.00 -118.00 -161.52 -166.09 -153.72 0.09 16 0 "[ . 1 . 2 . 3]"
26 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 TRP N 118.00 172.00 171.39 172.04 172.02 0.15 14 0 "[ . 1 . 2 . 3]"
27 . 1 40 ALA C 1 41 TRP N 1 41 TRP CA 1 41 TRP C -124.00 -70.00 -110.10 -114.73 -105.16 . . 0 "[ . 1 . 2 . 3]"
28 . 1 41 TRP N 1 41 TRP CA 1 41 TRP C 1 42 ILE N 98.50 137.50 109.62 107.58 107.55 . . 0 "[ . 1 . 2 . 3]"
29 . 1 41 TRP C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -134.50 -83.50 -86.13 -83.47 -83.49 0.16 4 0 "[ . 1 . 2 . 3]"
30 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 THR N 110.50 167.50 118.72 121.72 121.70 . . 0 "[ . 1 . 2 . 3]"
31 . 1 42 ILE C 1 43 THR N 1 43 THR CA 1 43 THR C -103.00 -79.00 -78.84 -79.75 -78.66 0.34 26 0 "[ . 1 . 2 . 3]"
32 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 ALA N 162.50 177.50 172.19 171.83 171.08 0.03 6 0 "[ . 1 . 2 . 3]"
33 . 1 43 THR C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -71.00 -53.00 -60.32 -65.50 -56.73 . . 0 "[ . 1 . 2 . 3]"
34 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 GLN N -45.50 -24.50 -43.67 -44.77 -45.08 . . 0 "[ . 1 . 2 . 3]"
35 . 1 44 ALA C 1 45 GLN N 1 45 GLN CA 1 45 GLN C -74.50 -53.50 -59.40 -59.80 -60.28 . . 0 "[ . 1 . 2 . 3]"
36 . 1 45 GLN N 1 45 GLN CA 1 45 GLN C 1 46 GLN N -54.50 -33.50 -40.74 -45.05 -37.84 . . 0 "[ . 1 . 2 . 3]"
37 . 1 45 GLN C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -72.00 -60.00 -58.83 -58.93 -58.69 1.31 27 0 "[ . 1 . 2 . 3]"
38 . 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 ILE N -50.50 -35.50 -34.64 -34.83 -34.34 1.16 11 0 "[ . 1 . 2 . 3]"
39 . 1 46 GLN C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -77.50 -56.50 -71.48 -72.87 -70.09 . . 0 "[ . 1 . 2 . 3]"
40 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 GLU N -51.00 -27.00 -50.01 -49.86 -49.97 0.14 27 0 "[ . 1 . 2 . 3]"
41 . 1 47 ILE C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -83.00 -47.00 -83.11 -83.28 -83.00 0.28 6 0 "[ . 1 . 2 . 3]"
42 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 ALA N -52.50 -31.50 -46.61 -47.69 -46.03 . . 0 "[ . 1 . 2 . 3]"
43 . 1 48 GLU C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -76.00 -52.00 -54.64 -56.24 -53.42 . . 0 "[ . 1 . 2 . 3]"
44 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ALA N -53.00 -23.00 -47.27 -47.13 -47.15 . . 0 "[ . 1 . 2 . 3]"
45 . 1 49 ALA C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -72.00 -60.00 -65.89 -63.40 -63.91 . . 0 "[ . 1 . 2 . 3]"
46 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 ARG N -48.50 -33.50 -41.51 -44.70 -35.88 . . 0 "[ . 1 . 2 . 3]"
47 . 1 50 ALA C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -74.50 -59.50 -59.74 -64.09 -59.17 0.33 30 0 "[ . 1 . 2 . 3]"
48 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 VAL N -51.50 -36.50 -42.53 -41.65 -42.05 . . 0 "[ . 1 . 2 . 3]"
49 . 1 51 ARG C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -76.00 -58.00 -58.40 -61.06 -57.69 0.31 18 0 "[ . 1 . 2 . 3]"
50 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 ALA N -53.50 -26.50 -41.08 -43.31 -45.07 . . 0 "[ . 1 . 2 . 3]"
51 . 1 52 VAL C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -78.00 -48.00 -69.76 -78.15 -58.50 0.15 8 0 "[ . 1 . 2 . 3]"
52 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 MET N -51.50 -30.50 -38.15 -37.11 -37.11 . . 0 "[ . 1 . 2 . 3]"
53 . 1 53 ALA C 1 54 MET N 1 54 MET CA 1 54 MET C -71.00 -59.00 -71.13 -71.34 -70.97 0.34 14 0 "[ . 1 . 2 . 3]"
54 . 1 54 MET N 1 54 MET CA 1 54 MET C 1 55 VAL N -52.50 -37.50 -48.70 -52.57 -45.08 0.07 23 0 "[ . 1 . 2 . 3]"
55 . 1 54 MET C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -75.00 -57.00 -56.86 -56.82 -56.82 0.27 16 0 "[ . 1 . 2 . 3]"
56 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 ARG N -55.50 -22.50 -37.80 -38.59 -39.23 . . 0 "[ . 1 . 2 . 3]"
57 . 1 55 VAL C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -75.00 -57.00 -74.84 -75.02 -75.03 0.27 7 0 "[ . 1 . 2 . 3]"
58 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 HIS N -44.50 -29.50 -29.50 -29.62 -29.90 0.14 27 0 "[ . 1 . 2 . 3]"
59 . 1 56 ARG C 1 57 HIS N 1 57 HIS CA 1 57 HIS C -91.00 -55.00 -62.28 -65.80 -59.11 . . 0 "[ . 1 . 2 . 3]"
60 . 1 57 HIS N 1 57 HIS CA 1 57 HIS C 1 58 PHE N -59.00 -23.00 -52.21 -58.87 -45.97 . . 0 "[ . 1 . 2 . 3]"
61 . 1 59 ARG C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -120.50 -75.50 -99.95 -100.18 -101.99 . . 0 "[ . 1 . 2 . 3]"
62 . 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 GLY N -15.00 33.00 32.96 32.96 32.93 0.17 9 0 "[ . 1 . 2 . 3]"
63 . 1 62 GLY C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -155.50 -74.50 -127.93 -123.52 -126.71 . . 0 "[ . 1 . 2 . 3]"
64 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 ILE N 131.50 164.50 144.56 140.47 139.35 0.08 11 0 "[ . 1 . 2 . 3]"
65 . 1 64 ILE C 1 65 PHE N 1 65 PHE CA 1 65 PHE C -128.00 -80.00 -106.57 -103.42 -107.05 . . 0 "[ . 1 . 2 . 3]"
66 . 1 65 PHE N 1 65 PHE CA 1 65 PHE C 1 66 ILE N 109.50 136.50 111.36 109.24 119.91 0.26 7 0 "[ . 1 . 2 . 3]"
67 . 1 65 PHE C 1 66 ILE N 1 66 ILE CA 1 66 ILE C -119.00 -77.00 -96.55 -105.98 -110.53 . . 0 "[ . 1 . 2 . 3]"
68 . 1 66 ILE N 1 66 ILE CA 1 66 ILE C 1 67 ARG N 103.50 142.50 131.60 121.14 141.37 . . 0 "[ . 1 . 2 . 3]"
69 . 1 68 ILE C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -152.50 -59.50 -141.45 -138.89 -140.05 0.06 10 0 "[ . 1 . 2 . 3]"
70 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 PRO N 109.50 154.50 137.33 139.98 139.23 . . 0 "[ . 1 . 2 . 3]"
71 . 1 69 PHE C 1 70 PRO N 1 70 PRO CA 1 70 PRO C -118.50 -49.50 -70.02 -81.82 -62.33 . . 0 "[ . 1 . 2 . 3]"
72 . 1 70 PRO N 1 70 PRO CA 1 70 PRO C 1 71 ASP N 104.50 137.50 112.73 104.39 134.05 0.11 9 0 "[ . 1 . 2 . 3]"
73 . 1 71 ASP C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -139.00 -67.00 -79.21 -66.91 -66.95 0.14 30 0 "[ . 1 . 2 . 3]"
74 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 PRO N 72.00 144.00 131.51 135.04 130.31 0.15 21 0 "[ . 1 . 2 . 3]"
75 . 1 73 PRO C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -127.50 -76.50 -119.14 -115.99 -119.15 0.11 20 0 "[ . 1 . 2 . 3]"
76 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 THR N 83.50 164.50 100.55 83.48 147.55 0.02 21 0 "[ . 1 . 2 . 3]"
77 . 1 74 TYR C 1 75 THR N 1 75 THR CA 1 75 THR C -118.50 -79.50 -119.18 -119.65 -118.72 1.15 21 0 "[ . 1 . 2 . 3]"
78 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 LYS N 105.00 147.00 128.23 105.01 147.23 0.23 17 0 "[ . 1 . 2 . 3]"
79 . 1 76 LYS C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -124.50 -61.50 -107.78 -100.69 -105.49 0.82 25 0 "[ . 1 . 2 . 3]"
80 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 PRO N 94.50 -178.50 110.97 94.12 156.46 0.38 17 0 "[ . 1 . 2 . 3]"
81 . 1 78 PRO C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -114.50 -57.50 -88.46 -90.12 -95.79 0.03 18 0 "[ . 1 . 2 . 3]"
82 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 GLU N 104.50 161.50 138.05 104.30 161.68 0.20 12 0 "[ . 1 . 2 . 3]"
83 . 1 80 GLU C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -113.00 -65.00 -88.14 -79.60 -83.39 0.11 16 0 "[ . 1 . 2 . 3]"
84 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 ARG N 101.00 155.00 131.91 102.34 154.90 . . 0 "[ . 1 . 2 . 3]"
85 . 1 84 GLY C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -107.50 -80.50 -96.71 -107.56 -80.55 0.06 27 0 "[ . 1 . 2 . 3]"
86 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 GLY N -18.00 18.00 -1.50 -18.19 18.24 0.24 19 0 "[ . 1 . 2 . 3]"
87 . 1 89 ASN C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -113.00 -65.00 -83.48 -110.39 -64.84 0.16 23 0 "[ . 1 . 2 . 3]"
88 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 GLU N 99.00 159.00 140.40 147.85 141.92 . . 0 "[ . 1 . 2 . 3]"
89 . 1 92 GLY C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -135.00 -75.00 -106.62 -124.61 -75.05 . . 0 "[ . 1 . 2 . 3]"
90 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 VAL N 122.00 164.00 157.81 134.02 164.12 0.12 29 0 "[ . 1 . 2 . 3]"
91 . 1 93 TYR C 1 94 VAL N 1 94 VAL CA 1 94 VAL C -156.00 -108.00 -138.08 -134.74 -136.11 . . 0 "[ . 1 . 2 . 3]"
92 . 1 94 VAL N 1 94 VAL CA 1 94 VAL C 1 95 ALA N 135.50 174.50 170.87 172.16 171.33 0.12 8 0 "[ . 1 . 2 . 3]"
93 . 1 94 VAL C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -136.50 -91.50 -120.09 -129.23 -99.70 . . 0 "[ . 1 . 2 . 3]"
94 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 VAL N 102.50 141.50 104.13 104.38 104.12 0.14 11 0 "[ . 1 . 2 . 3]"
95 . 1 96 VAL C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -126.50 -81.50 -126.56 -126.72 -125.35 0.22 19 0 "[ . 1 . 2 . 3]"
96 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 LYS N 114.00 162.00 160.88 160.95 160.84 0.24 13 0 "[ . 1 . 2 . 3]"
97 . 1 97 VAL C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -130.50 -67.50 -130.70 -130.71 -130.72 0.48 19 0 "[ . 1 . 2 . 3]"
98 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 PRO N 82.00 160.00 158.65 150.04 160.19 0.19 15 0 "[ . 1 . 2 . 3]"
99 . 1 100 GLY C 1 101 ARG N 1 101 ARG CA 1 101 ARG C -129.00 -63.00 -113.24 -118.45 -105.43 . . 0 "[ . 1 . 2 . 3]"
100 . 1 101 ARG N 1 101 ARG CA 1 101 ARG C 1 102 VAL N 91.50 148.50 121.38 115.85 129.48 . . 0 "[ . 1 . 2 . 3]"
101 . 1 101 ARG C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -108.00 -66.00 -79.58 -85.17 -71.89 . . 0 "[ . 1 . 2 . 3]"
102 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 MET N 79.50 142.50 103.53 95.73 106.00 . . 0 "[ . 1 . 2 . 3]"
103 . 1 103 MET C 1 104 PHE N 1 104 PHE CA 1 104 PHE C -157.50 -124.50 -130.50 -124.61 -127.36 0.36 12 0 "[ . 1 . 2 . 3]"
104 . 1 104 PHE N 1 104 PHE CA 1 104 PHE C 1 105 GLU N 121.00 163.00 156.75 148.37 163.15 0.15 20 0 "[ . 1 . 2 . 3]"
105 . 1 104 PHE C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -168.00 -96.00 -158.05 -160.43 -164.27 . . 0 "[ . 1 . 2 . 3]"
106 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 VAL N 115.00 175.00 121.52 126.18 123.11 0.18 14 0 "[ . 1 . 2 . 3]"
107 . 1 105 GLU C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -154.00 -94.00 -109.42 -125.43 -96.23 . . 0 "[ . 1 . 2 . 3]"
108 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ALA N 126.00 168.00 161.02 150.05 168.09 0.09 1 0 "[ . 1 . 2 . 3]"
109 . 1 106 VAL C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -172.00 -112.00 -155.96 -149.14 -151.56 . . 0 "[ . 1 . 2 . 3]"
110 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 GLY N 110.50 -174.50 141.02 137.53 143.52 . . 0 "[ . 1 . 2 . 3]"
111 . 1 109 VAL C 1 110 THR N 1 110 THR CA 1 110 THR C -109.00 -67.00 -70.44 -68.50 -70.25 0.12 10 0 "[ . 1 . 2 . 3]"
112 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 GLU N 133.00 -173.00 171.00 167.39 165.85 . . 0 "[ . 1 . 2 . 3]"
113 . 1 110 THR C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -73.50 -52.50 -66.30 -73.56 -57.41 0.06 26 0 "[ . 1 . 2 . 3]"
114 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 GLU N -47.50 -26.50 -39.99 -41.85 -42.41 . . 0 "[ . 1 . 2 . 3]"
115 . 1 111 GLU C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -69.50 -54.50 -64.38 -64.79 -65.10 0.08 17 0 "[ . 1 . 2 . 3]"
116 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 GLN N -46.00 -28.00 -44.78 -46.20 -41.17 0.20 12 0 "[ . 1 . 2 . 3]"
117 . 1 112 GLU C 1 113 GLN N 1 113 GLN CA 1 113 GLN C -75.00 -57.00 -75.13 -75.27 -74.97 0.27 12 0 "[ . 1 . 2 . 3]"
118 . 1 113 GLN N 1 113 GLN CA 1 113 GLN C 1 114 ALA N -51.00 -33.00 -38.10 -40.72 -35.87 . . 0 "[ . 1 . 2 . 3]"
119 . 1 113 GLN C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -71.50 -56.50 -69.84 -71.20 -71.39 0.16 12 0 "[ . 1 . 2 . 3]"
120 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 MET N -48.00 -30.00 -48.17 -48.33 -47.95 0.33 4 0 "[ . 1 . 2 . 3]"
121 . 1 114 ALA C 1 115 MET N 1 115 MET CA 1 115 MET C -77.00 -53.00 -62.67 -64.49 -60.77 . . 0 "[ . 1 . 2 . 3]"
122 . 1 115 MET N 1 115 MET CA 1 115 MET C 1 116 GLU N -55.50 -22.50 -47.06 -54.20 -43.59 . . 0 "[ . 1 . 2 . 3]"
123 . 1 115 MET C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -77.00 -53.00 -64.19 -65.24 -65.92 . . 0 "[ . 1 . 2 . 3]"
124 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 ALA N -48.50 -27.50 -48.58 -48.75 -48.37 0.25 13 0 "[ . 1 . 2 . 3]"
125 . 1 116 GLU C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -71.50 -56.50 -57.55 -60.55 -56.40 0.10 23 0 "[ . 1 . 2 . 3]"
126 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 LEU N -48.50 -27.50 -48.81 -48.97 -48.58 0.47 20 0 "[ . 1 . 2 . 3]"
127 . 1 117 ALA C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -74.50 -53.50 -60.62 -63.30 -58.94 . . 0 "[ . 1 . 2 . 3]"
128 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 ARG N -53.00 -29.00 -31.14 -30.95 -31.12 . . 0 "[ . 1 . 2 . 3]"
129 . 1 118 LEU C 1 119 ARG N 1 119 ARG CA 1 119 ARG C -74.50 -53.50 -74.36 -74.48 -74.50 0.21 21 0 "[ . 1 . 2 . 3]"
130 . 1 119 ARG N 1 119 ARG CA 1 119 ARG C 1 120 ILE N -51.50 -30.50 -39.92 -43.09 -37.55 . . 0 "[ . 1 . 2 . 3]"
131 . 1 119 ARG C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -79.50 -52.50 -55.92 -55.21 -55.51 . . 0 "[ . 1 . 2 . 3]"
132 . 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 ALA N -52.50 -31.50 -38.71 -47.96 -31.47 0.03 6 0 "[ . 1 . 2 . 3]"
133 . 1 120 ILE C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -72.00 -54.00 -64.19 -66.07 -67.35 . . 0 "[ . 1 . 2 . 3]"
134 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 GLY N -54.00 -18.00 -45.91 -45.62 -45.98 . . 0 "[ . 1 . 2 . 3]"
135 . 1 121 ALA C 1 122 GLY N 1 122 GLY CA 1 122 GLY C -76.00 -58.00 -72.56 -72.85 -73.01 0.12 9 0 "[ . 1 . 2 . 3]"
136 . 1 122 GLY N 1 122 GLY CA 1 122 GLY C 1 123 HIS N -57.50 -18.50 -21.82 -27.23 -18.53 . . 0 "[ . 1 . 2 . 3]"
137 . 1 124 LYS C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -141.50 -84.50 -84.42 -84.54 -84.04 0.46 6 0 "[ . 1 . 2 . 3]"
138 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 PRO N 79.00 163.00 155.43 152.41 161.97 . . 0 "[ . 1 . 2 . 3]"
139 . 1 126 PRO C 1 127 ILE N 1 127 ILE CA 1 127 ILE C -161.00 -119.00 -150.83 -153.87 -144.05 . . 0 "[ . 1 . 2 . 3]"
140 . 1 127 ILE N 1 127 ILE CA 1 127 ILE C 1 128 LYS N 131.00 167.00 166.39 161.13 167.16 0.16 21 0 "[ . 1 . 2 . 3]"
141 . 1 127 ILE C 1 128 LYS N 1 128 LYS CA 1 128 LYS C -121.00 -67.00 -78.73 -76.68 -78.19 . . 0 "[ . 1 . 2 . 3]"
142 . 1 128 LYS N 1 128 LYS CA 1 128 LYS C 1 129 THR N 122.00 152.00 138.55 141.90 140.07 . . 0 "[ . 1 . 2 . 3]"
143 . 1 128 LYS C 1 129 THR N 1 129 THR CA 1 129 THR C -161.50 -104.50 -141.24 -150.73 -126.58 . . 0 "[ . 1 . 2 . 3]"
144 . 1 129 THR N 1 129 THR CA 1 129 THR C 1 130 LYS N 134.50 173.50 149.64 149.16 148.33 . . 0 "[ . 1 . 2 . 3]"
145 . 1 129 THR C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -141.50 -102.50 -133.95 -140.18 -128.79 . . 0 "[ . 1 . 2 . 3]"
146 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 ILE N 94.00 166.00 158.93 161.19 160.79 0.09 23 0 "[ . 1 . 2 . 3]"
147 . 1 130 LYS C 1 131 ILE N 1 131 ILE CA 1 131 ILE C -121.00 -85.00 -88.09 -96.73 -84.76 0.24 27 0 "[ . 1 . 2 . 3]"
148 . 1 131 ILE N 1 131 ILE CA 1 131 ILE C 1 132 VAL N 115.00 151.00 138.60 138.08 137.30 . . 0 "[ . 1 . 2 . 3]"
149 . 1 131 ILE C 1 132 VAL N 1 132 VAL CA 1 132 VAL C -158.50 -107.50 -146.84 -152.62 -135.69 . . 0 "[ . 1 . 2 . 3]"
150 . 1 132 VAL N 1 132 VAL CA 1 132 VAL C 1 133 ARG N 127.50 172.50 137.76 143.52 142.19 0.04 17 0 "[ . 1 . 2 . 3]"
151 . 1 132 VAL C 1 133 ARG N 1 133 ARG CA 1 133 ARG C -125.50 -68.50 -82.31 -109.31 -67.95 0.55 22 0 "[ . 1 . 2 . 3]"
152 . 1 133 ARG N 1 133 ARG CA 1 133 ARG C 1 134 ARG N 110.00 164.00 158.44 165.47 165.42 2.09 16 0 "[ . 1 . 2 . 3]"
153 . 1 135 ASP C 1 136 ALA N 1 136 ALA CA 1 136 ALA C -114.50 -63.50 -115.05 -114.72 -114.74 1.68 22 0 "[ . 1 . 2 . 3]"
154 . 1 136 ALA N 1 136 ALA CA 1 136 ALA C 1 137 TYR N 98.50 173.50 94.49 93.88 95.18 4.62 8 0 "[ . 1 . 2 . 3]"
155 . 1 136 ALA C 1 137 TYR N 1 137 TYR CA 1 137 TYR C -123.50 -72.50 -127.12 -128.54 -126.07 5.04 17 1 "[ . 1 . + 2 . 3]"
156 . 1 137 TYR N 1 137 TYR CA 1 137 TYR C 1 138 ASP N 90.00 162.00 105.50 89.89 120.26 0.11 15 0 "[ . 1 . 2 . 3]"
157 . 1 137 TYR C 1 138 ASP N 1 138 ASP CA 1 138 ASP C -121.50 -52.50 -94.17 -98.77 -101.38 0.13 19 0 "[ . 1 . 2 . 3]"
158 . 1 138 ASP N 1 138 ASP CA 1 138 ASP C 1 139 GLU N 93.50 168.50 123.31 93.41 165.28 0.09 22 0 "[ . 1 . 2 . 3]"
159 . 1 138 ASP C 1 139 GLU N 1 139 GLU CA 1 139 GLU C -114.50 -63.50 -73.36 -72.59 -73.23 0.12 26 0 "[ . 1 . 2 . 3]"
160 . 1 139 GLU N 1 139 GLU CA 1 139 GLU C 1 140 ALA N 101.00 173.00 127.36 100.97 170.61 0.03 15 0 "[ . 1 . 2 . 3]"
161 . 1 139 GLU C 1 140 ALA N 1 140 ALA CA 1 140 ALA C -125.00 -53.00 -95.24 -122.73 -60.45 . . 0 "[ . 1 . 2 . 3]"
162 . 1 140 ALA N 1 140 ALA CA 1 140 ALA C 1 141 GLN N 94.00 154.00 99.23 93.90 106.87 0.10 17 0 "[ . 1 . 2 . 3]"
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