NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614049 |
5lnf   |
34030 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5lnf
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 187
_TA_constraint_stats_list.Viol_count 1294
_TA_constraint_stats_list.Viol_total 30608.10
_TA_constraint_stats_list.Viol_max 5.35
_TA_constraint_stats_list.Viol_rms 0.81
_TA_constraint_stats_list.Viol_average_all_restraints 0.41
_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 13 PRO C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -78.78 -46.10 -79.49 -80.13 -80.24 1.83 3 0 "[ . 1 . 2]"
2 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 MET N -41.32 -17.54 -18.43 -22.41 -22.72 2.98 9 0 "[ . 1 . 2]"
3 . 1 14 ILE C 1 15 MET N 1 15 MET CA 1 15 MET C -68.71 -60.75 -59.00 -59.84 -60.12 3.33 10 0 "[ . 1 . 2]"
4 . 1 15 MET N 1 15 MET CA 1 15 MET C 1 16 GLN N -48.19 -27.69 -29.21 -36.29 -24.18 3.51 10 0 "[ . 1 . 2]"
5 . 1 15 MET C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -66.75 -60.55 -62.25 -64.73 -65.78 2.79 13 0 "[ . 1 . 2]"
6 . 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 SER N -50.49 -27.25 -38.58 -50.94 -30.21 0.45 13 0 "[ . 1 . 2]"
7 . 1 16 GLN C 1 17 SER N 1 17 SER CA 1 17 SER C -71.31 -59.87 -72.89 -74.41 -71.76 3.10 20 0 "[ . 1 . 2]"
8 . 1 17 SER N 1 17 SER CA 1 17 SER C 1 18 ILE N -44.99 -26.13 -44.32 -45.46 -45.56 1.20 4 0 "[ . 1 . 2]"
9 . 1 17 SER C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -75.66 -57.40 -62.36 -65.40 -59.07 . . 0 "[ . 1 . 2]"
10 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 MET N -50.34 -30.98 -47.92 -45.21 -45.82 0.29 11 0 "[ . 1 . 2]"
11 . 1 18 ILE C 1 19 MET N 1 19 MET CA 1 19 MET C -68.84 -60.74 -62.10 -65.48 -60.18 0.56 19 0 "[ . 1 . 2]"
12 . 1 19 MET N 1 19 MET CA 1 19 MET C 1 20 GLN N -43.92 -32.68 -36.71 -39.80 -40.28 0.55 20 0 "[ . 1 . 2]"
13 . 1 19 MET C 1 20 GLN N 1 20 GLN CA 1 20 GLN C -67.26 -57.68 -66.30 -65.53 -66.52 1.03 6 0 "[ . 1 . 2]"
14 . 1 20 GLN N 1 20 GLN CA 1 20 GLN C 1 21 ASN N -46.34 -29.76 -42.07 -46.43 -36.06 0.09 9 0 "[ . 1 . 2]"
15 . 1 20 GLN C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -68.17 -57.91 -68.60 -69.90 -65.28 1.73 12 0 "[ . 1 . 2]"
16 . 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 LEU N -47.99 -20.89 -46.92 -48.81 -41.65 0.82 12 0 "[ . 1 . 2]"
17 . 1 21 ASN C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -77.25 -61.47 -67.15 -68.77 -72.34 . . 0 "[ . 1 . 2]"
18 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 LEU N -49.69 -25.91 -29.46 -38.32 -48.76 0.28 4 0 "[ . 1 . 2]"
19 . 1 22 LEU C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -107.36 -86.58 -104.79 -108.38 -86.64 1.02 9 0 "[ . 1 . 2]"
20 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 SER N -12.64 16.22 17.08 16.85 16.80 1.64 9 0 "[ . 1 . 2]"
21 . 1 24 SER C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -69.66 -54.64 -53.49 -54.08 -52.84 1.80 8 0 "[ . 1 . 2]"
22 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 ASP N -43.73 -28.13 -27.40 -29.37 -26.46 1.67 15 0 "[ . 1 . 2]"
23 . 1 26 ASP C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -94.41 -59.71 -90.08 -91.17 -91.96 0.15 15 0 "[ . 1 . 2]"
24 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 LEU N -46.75 -34.31 -32.00 -32.98 -30.85 3.46 1 0 "[ . 1 . 2]"
25 . 1 27 VAL C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -72.78 -54.78 -55.26 -54.76 -54.89 0.82 11 0 "[ . 1 . 2]"
26 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 TYR N -52.87 -34.93 -43.87 -47.48 -39.71 . . 0 "[ . 1 . 2]"
27 . 1 28 LEU C 1 29 TYR N 1 29 TYR CA 1 29 TYR C -66.75 -48.63 -56.35 -59.10 -52.68 . . 0 "[ . 1 . 2]"
28 . 1 29 TYR N 1 29 TYR CA 1 29 TYR C 1 30 PRO N -58.55 -41.41 -59.87 -60.28 -60.67 2.12 1 0 "[ . 1 . 2]"
29 . 1 30 PRO N 1 30 PRO CA 1 30 PRO C 1 31 SER N -46.75 -29.63 -35.96 -39.74 -32.92 . . 0 "[ . 1 . 2]"
30 . 1 30 PRO C 1 31 SER N 1 31 SER CA 1 31 SER C -69.32 -58.20 -65.41 -68.64 -62.97 . . 0 "[ . 1 . 2]"
31 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 LEU N -42.99 -27.01 -44.18 -43.87 -44.05 1.96 5 0 "[ . 1 . 2]"
32 . 1 31 SER C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -68.17 -58.23 -69.88 -69.65 -69.84 2.96 5 0 "[ . 1 . 2]"
33 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 LYS N -48.89 -32.73 -40.32 -42.07 -38.15 . . 0 "[ . 1 . 2]"
34 . 1 32 LEU C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -68.14 -60.52 -61.72 -64.01 -59.85 0.67 5 0 "[ . 1 . 2]"
35 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 GLU N -45.82 -39.40 -40.83 -40.92 -41.69 0.51 19 0 "[ . 1 . 2]"
36 . 1 33 LYS C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -68.90 -60.76 -61.83 -63.15 -64.12 1.07 2 0 "[ . 1 . 2]"
37 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 ILE N -48.84 -33.46 -47.36 -49.41 -40.53 0.57 3 0 "[ . 1 . 2]"
38 . 1 34 GLU C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -70.59 -58.95 -70.37 -71.40 -66.14 0.81 2 0 "[ . 1 . 2]"
39 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 THR N -43.34 -33.66 -34.17 -35.01 -36.41 0.74 3 0 "[ . 1 . 2]"
40 . 1 35 ILE C 1 36 THR N 1 36 THR CA 1 36 THR C -67.67 -55.37 -65.71 -67.73 -63.16 0.06 16 0 "[ . 1 . 2]"
41 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 GLU N -46.72 -40.22 -38.11 -39.34 -37.09 3.13 6 0 "[ . 1 . 2]"
42 . 1 36 THR C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -75.73 -57.21 -71.31 -76.34 -65.34 0.61 15 0 "[ . 1 . 2]"
43 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 LYS N -52.37 -19.33 -25.51 -26.34 -31.79 . . 0 "[ . 1 . 2]"
44 . 1 37 GLU C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -99.90 -54.88 -91.98 -98.11 -89.31 . . 0 "[ . 1 . 2]"
45 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 TYR N -53.59 -3.63 -28.04 -28.19 -28.21 . . 0 "[ . 1 . 2]"
46 . 1 38 LYS C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -57.58 -47.50 -50.96 -51.77 -52.05 0.27 13 0 "[ . 1 . 2]"
47 . 1 39 TYR N 1 39 TYR CA 1 39 TYR C 1 40 PRO N -52.52 -41.26 -50.84 -51.14 -51.33 0.38 17 0 "[ . 1 . 2]"
48 . 1 40 PRO N 1 40 PRO CA 1 40 PRO C 1 41 GLU N -46.10 -22.62 -37.02 -40.16 -40.23 0.50 8 0 "[ . 1 . 2]"
49 . 1 40 PRO C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -68.64 -63.16 -67.45 -68.83 -68.87 1.38 11 0 "[ . 1 . 2]"
50 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 TRP N -45.23 -30.95 -43.73 -47.63 -37.87 2.40 4 0 "[ . 1 . 2]"
51 . 1 41 GLU C 1 42 TRP N 1 42 TRP CA 1 42 TRP C -71.64 -60.02 -64.90 -67.65 -62.50 . . 0 "[ . 1 . 2]"
52 . 1 42 TRP N 1 42 TRP CA 1 42 TRP C 1 43 LEU N -47.89 -33.55 -47.79 -48.31 -48.39 0.86 14 0 "[ . 1 . 2]"
53 . 1 42 TRP C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -69.55 -60.95 -60.62 -62.45 -59.93 1.02 11 0 "[ . 1 . 2]"
54 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 GLN N -48.65 -38.39 -43.99 -47.00 -40.39 . . 0 "[ . 1 . 2]"
55 . 1 43 LEU C 1 44 GLN N 1 44 GLN CA 1 44 GLN C -65.45 -51.15 -63.83 -66.48 -60.97 1.03 4 0 "[ . 1 . 2]"
56 . 1 44 GLN N 1 44 GLN CA 1 44 GLN C 1 45 SER N -46.65 -31.07 -37.70 -41.88 -31.96 . . 0 "[ . 1 . 2]"
57 . 1 44 GLN C 1 45 SER N 1 45 SER CA 1 45 SER C -76.60 -63.34 -70.48 -73.27 -68.18 . . 0 "[ . 1 . 2]"
58 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 HIS N -46.97 -22.93 -45.54 -44.62 -45.41 1.30 1 0 "[ . 1 . 2]"
59 . 1 45 SER C 1 46 HIS N 1 46 HIS CA 1 46 HIS C -87.79 -56.11 -91.27 -93.12 -89.69 5.33 5 1 "[ + 1 . 2]"
60 . 1 46 HIS N 1 46 HIS CA 1 46 HIS C 1 47 ARG N -48.40 0.98 2.60 1.70 3.83 2.85 3 0 "[ . 1 . 2]"
61 . 1 46 HIS C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -66.05 -56.63 -56.45 -58.29 -55.37 1.26 3 0 "[ . 1 . 2]"
62 . 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 GLU N -47.15 -31.63 -35.32 -35.65 -35.90 0.40 15 0 "[ . 1 . 2]"
63 . 1 47 ARG C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -77.97 -60.03 -73.08 -70.60 -71.21 . . 0 "[ . 1 . 2]"
64 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 SER N -39.49 -5.17 -26.80 -29.45 -29.88 . . 0 "[ . 1 . 2]"
65 . 1 48 GLU C 1 49 SER N 1 49 SER CA 1 49 SER C -98.26 -77.86 -97.88 -99.85 -92.65 1.59 4 0 "[ . 1 . 2]"
66 . 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 LEU N -18.92 -9.04 -9.72 -8.79 -8.93 0.69 12 0 "[ . 1 . 2]"
67 . 1 49 SER C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -139.31 -92.33 -92.28 -96.82 -90.53 1.80 1 0 "[ . 1 . 2]"
68 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 PRO N 66.35 125.85 126.95 125.92 127.89 2.04 14 0 "[ . 1 . 2]"
69 . 1 51 PRO N 1 51 PRO CA 1 51 PRO C 1 52 PRO N 131.76 156.64 140.91 142.14 141.16 . . 0 "[ . 1 . 2]"
70 . 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 GLU N -42.43 -29.73 -40.21 -43.50 -43.91 1.48 1 0 "[ . 1 . 2]"
71 . 1 52 PRO C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -69.14 -57.98 -66.14 -69.36 -61.91 0.22 16 0 "[ . 1 . 2]"
72 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 GLN N -41.06 -25.98 -40.52 -40.40 -40.82 0.99 4 0 "[ . 1 . 2]"
73 . 1 53 GLU C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -71.80 -60.10 -74.85 -73.99 -74.35 4.52 4 0 "[ . 1 . 2]"
74 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 PHE N -50.33 -32.29 -39.59 -38.36 -38.87 . . 0 "[ . 1 . 2]"
75 . 1 54 GLN C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -71.48 -51.52 -59.68 -59.22 -59.62 . . 0 "[ . 1 . 2]"
76 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 GLU N -53.16 -36.78 -43.45 -44.33 -44.70 . . 0 "[ . 1 . 2]"
77 . 1 55 PHE C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -67.63 -55.43 -58.72 -58.85 -59.10 . . 0 "[ . 1 . 2]"
78 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 LYS N -51.35 -38.09 -50.64 -53.22 -47.38 1.87 5 0 "[ . 1 . 2]"
79 . 1 56 GLU C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -67.32 -59.44 -57.93 -59.36 -57.29 2.15 1 0 "[ . 1 . 2]"
80 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 TYR N -49.12 -38.18 -38.35 -37.88 -37.92 0.88 11 0 "[ . 1 . 2]"
81 . 1 57 LYS C 1 58 TYR N 1 58 TYR CA 1 58 TYR C -78.42 -61.82 -67.91 -67.92 -68.05 . . 0 "[ . 1 . 2]"
82 . 1 58 TYR N 1 58 TYR CA 1 58 TYR C 1 59 GLN N -46.65 -31.29 -34.54 -38.35 -33.23 . . 0 "[ . 1 . 2]"
83 . 1 58 TYR C 1 59 GLN N 1 59 GLN CA 1 59 GLN C -68.91 -52.67 -66.95 -66.29 -67.03 0.41 18 0 "[ . 1 . 2]"
84 . 1 59 GLN N 1 59 GLN CA 1 59 GLN C 1 60 GLU N -49.04 -29.48 -36.11 -36.31 -36.72 . . 0 "[ . 1 . 2]"
85 . 1 59 GLN C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -71.21 -63.11 -67.62 -71.08 -64.14 . . 0 "[ . 1 . 2]"
86 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 GLN N -44.87 -33.41 -42.80 -44.98 -39.71 0.11 2 0 "[ . 1 . 2]"
87 . 1 60 GLU C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -70.69 -59.57 -61.97 -61.03 -61.16 . . 0 "[ . 1 . 2]"
88 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 HIS N -47.31 -33.21 -41.82 -42.40 -42.64 . . 0 "[ . 1 . 2]"
89 . 1 61 GLN C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -65.97 -55.97 -60.66 -62.36 -59.31 . . 0 "[ . 1 . 2]"
90 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 SER N -47.59 -34.51 -46.54 -47.85 -44.30 0.26 18 0 "[ . 1 . 2]"
91 . 1 62 HIS C 1 63 SER N 1 63 SER CA 1 63 SER C -72.52 -60.64 -65.50 -64.78 -65.12 . . 0 "[ . 1 . 2]"
92 . 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 VAL N -50.34 -28.04 -48.76 -51.00 -47.20 0.66 16 0 "[ . 1 . 2]"
93 . 1 63 SER C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -71.53 -63.21 -62.64 -62.65 -62.77 1.06 8 0 "[ . 1 . 2]"
94 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 MET N -46.27 -33.91 -47.56 -48.22 -46.75 1.95 8 0 "[ . 1 . 2]"
95 . 1 64 VAL C 1 65 MET N 1 65 MET CA 1 65 MET C -65.72 -58.46 -58.96 -59.88 -58.43 0.03 8 0 "[ . 1 . 2]"
96 . 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 CYS N -46.74 -38.16 -36.98 -36.71 -36.84 1.72 18 0 "[ . 1 . 2]"
97 . 1 65 MET C 1 66 CYS N 1 66 CYS CA 1 66 CYS C -67.11 -57.09 -61.12 -62.83 -59.07 . . 0 "[ . 1 . 2]"
98 . 1 66 CYS N 1 66 CYS CA 1 66 CYS C 1 67 LYS N -46.36 -40.62 -43.61 -43.97 -45.09 0.21 20 0 "[ . 1 . 2]"
99 . 1 66 CYS C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -70.63 -60.33 -61.11 -65.16 -59.39 0.94 10 0 "[ . 1 . 2]"
100 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 ILE N -46.97 -33.11 -41.85 -40.38 -40.97 . . 0 "[ . 1 . 2]"
101 . 1 67 LYS C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -70.04 -59.42 -60.67 -63.40 -58.93 0.49 12 0 "[ . 1 . 2]"
102 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 CYS N -48.37 -37.93 -47.69 -49.50 -45.89 1.13 20 0 "[ . 1 . 2]"
103 . 1 68 ILE C 1 69 CYS N 1 69 CYS CA 1 69 CYS C -64.20 -56.56 -62.55 -63.37 -63.96 0.97 13 0 "[ . 1 . 2]"
104 . 1 69 CYS N 1 69 CYS CA 1 69 CYS C 1 70 GLU N -45.63 -38.81 -42.17 -40.96 -41.33 0.55 13 0 "[ . 1 . 2]"
105 . 1 69 CYS C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -65.69 -56.81 -56.92 -61.19 -55.93 0.88 6 0 "[ . 1 . 2]"
106 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 GLN N -48.88 -38.18 -37.48 -38.16 -38.51 2.65 13 0 "[ . 1 . 2]"
107 . 1 70 GLU C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -68.93 -58.97 -67.26 -66.53 -66.93 . . 0 "[ . 1 . 2]"
108 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 PHE N -49.04 -32.82 -42.78 -45.47 -39.75 . . 0 "[ . 1 . 2]"
109 . 1 71 GLN C 1 72 PHE N 1 72 PHE CA 1 72 PHE C -76.00 -55.40 -75.43 -77.29 -70.98 1.29 14 0 "[ . 1 . 2]"
110 . 1 72 PHE N 1 72 PHE CA 1 72 PHE C 1 73 GLU N -47.55 -34.37 -37.51 -41.96 -33.84 0.53 13 0 "[ . 1 . 2]"
111 . 1 72 PHE C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -71.93 -57.95 -72.18 -73.96 -64.63 2.03 5 0 "[ . 1 . 2]"
112 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 ALA N -39.75 -21.93 -18.30 -17.98 -18.22 5.35 20 1 "[ . 1 . +]"
113 . 1 73 GLU C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -113.61 -86.97 -105.57 -102.63 -103.90 0.01 13 0 "[ . 1 . 2]"
114 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 GLU N -19.11 16.21 14.14 12.79 11.75 1.03 16 0 "[ . 1 . 2]"
115 . 1 75 GLU C 1 76 THR N 1 76 THR CA 1 76 THR C -130.49 -65.29 -129.31 -128.02 -128.75 1.81 16 0 "[ . 1 . 2]"
116 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 PRO N 125.38 170.42 144.75 145.88 144.34 . . 0 "[ . 1 . 2]"
117 . 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 THR N -27.85 -13.17 -12.04 -12.09 -12.29 1.98 7 0 "[ . 1 . 2]"
118 . 1 77 PRO C 1 78 THR N 1 78 THR CA 1 78 THR C -115.63 -84.57 -91.57 -96.14 -87.50 . . 0 "[ . 1 . 2]"
119 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 ASP N -7.69 23.83 -10.09 -9.79 -10.08 4.21 6 0 "[ . 1 . 2]"
120 . 1 78 THR C 1 79 ASP N 1 79 ASP CA 1 79 ASP C -79.23 -64.27 -66.89 -63.66 -64.55 2.97 7 0 "[ . 1 . 2]"
121 . 1 79 ASP N 1 79 ASP CA 1 79 ASP C 1 80 SER N 135.76 160.38 153.56 134.85 165.03 4.65 5 0 "[ . 1 . 2]"
122 . 1 79 ASP C 1 80 SER N 1 80 SER CA 1 80 SER C -125.31 -63.85 -71.96 -71.57 -72.21 . . 0 "[ . 1 . 2]"
123 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 GLU N 149.16 168.80 165.57 167.05 165.59 1.55 8 0 "[ . 1 . 2]"
124 . 1 80 SER C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -64.27 -56.35 -59.76 -62.97 -56.51 . . 0 "[ . 1 . 2]"
125 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 THR N -39.77 -33.37 -34.94 -39.18 -30.57 2.80 14 0 "[ . 1 . 2]"
126 . 1 81 GLU C 1 82 THR N 1 82 THR CA 1 82 THR C -72.82 -57.18 -68.70 -69.51 -69.84 . . 0 "[ . 1 . 2]"
127 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 THR N -41.58 -25.82 -26.08 -25.76 -25.90 0.80 13 0 "[ . 1 . 2]"
128 . 1 82 THR C 1 83 THR N 1 83 THR CA 1 83 THR C -76.91 -61.01 -76.19 -78.35 -73.06 1.44 14 0 "[ . 1 . 2]"
129 . 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 GLN N -50.39 -34.55 -42.04 -41.14 -41.80 . . 0 "[ . 1 . 2]"
130 . 1 83 THR C 1 84 GLN N 1 84 GLN CA 1 84 GLN C -68.50 -55.70 -60.27 -63.16 -55.16 0.54 14 0 "[ . 1 . 2]"
131 . 1 84 GLN N 1 84 GLN CA 1 84 GLN C 1 85 LYS N -48.61 -36.67 -42.04 -40.08 -40.68 . . 0 "[ . 1 . 2]"
132 . 1 84 GLN C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -68.84 -61.24 -71.21 -71.93 -72.19 3.80 1 0 "[ . 1 . 2]"
133 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 ALA N -43.27 -37.09 -45.72 -47.67 -44.98 4.40 12 0 "[ . 1 . 2]"
134 . 1 85 LYS C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -72.33 -56.83 -64.09 -69.77 -61.11 . . 0 "[ . 1 . 2]"
135 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 ARG N -44.04 -31.78 -42.32 -44.34 -44.47 0.62 1 0 "[ . 1 . 2]"
136 . 1 86 ALA C 1 87 ARG N 1 87 ARG CA 1 87 ARG C -71.65 -62.11 -65.17 -63.68 -64.28 0.35 2 0 "[ . 1 . 2]"
137 . 1 87 ARG N 1 87 ARG CA 1 87 ARG C 1 88 PHE N -44.78 -34.62 -43.75 -46.11 -39.65 1.33 14 0 "[ . 1 . 2]"
138 . 1 87 ARG C 1 88 PHE N 1 88 PHE CA 1 88 PHE C -69.60 -60.76 -60.27 -59.79 -59.97 1.27 19 0 "[ . 1 . 2]"
139 . 1 88 PHE N 1 88 PHE CA 1 88 PHE C 1 89 GLU N -46.64 -38.10 -47.11 -46.67 -46.71 0.99 11 0 "[ . 1 . 2]"
140 . 1 88 PHE C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -65.14 -55.52 -61.98 -60.79 -61.61 0.35 9 0 "[ . 1 . 2]"
141 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 MET N -47.19 -32.27 -44.38 -47.94 -39.22 0.75 15 0 "[ . 1 . 2]"
142 . 1 89 GLU C 1 90 MET N 1 90 MET CA 1 90 MET C -69.17 -59.95 -65.64 -68.79 -63.66 . . 0 "[ . 1 . 2]"
143 . 1 90 MET N 1 90 MET CA 1 90 MET C 1 91 VAL N -46.98 -31.78 -44.02 -41.96 -43.18 . . 0 "[ . 1 . 2]"
144 . 1 90 MET C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -67.97 -58.39 -62.84 -65.24 -61.12 . . 0 "[ . 1 . 2]"
145 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 LEU N -48.88 -37.58 -47.35 -46.69 -46.86 0.37 5 0 "[ . 1 . 2]"
146 . 1 91 VAL C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -65.55 -54.23 -59.15 -60.76 -56.36 . . 0 "[ . 1 . 2]"
147 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 ASP N -48.07 -38.21 -41.54 -41.97 -42.33 . . 0 "[ . 1 . 2]"
148 . 1 92 LEU C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -68.90 -60.34 -61.19 -60.27 -60.70 1.17 4 0 "[ . 1 . 2]"
149 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 LEU N -48.70 -37.30 -45.07 -47.27 -42.42 . . 0 "[ . 1 . 2]"
150 . 1 93 ASP C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -69.46 -58.58 -61.17 -67.32 -58.70 . . 0 "[ . 1 . 2]"
151 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 MET N -44.24 -36.04 -44.57 -45.55 -42.94 1.31 6 0 "[ . 1 . 2]"
152 . 1 94 LEU C 1 95 MET N 1 95 MET CA 1 95 MET C -74.81 -59.13 -59.25 -62.46 -57.94 1.19 15 0 "[ . 1 . 2]"
153 . 1 95 MET N 1 95 MET CA 1 95 MET C 1 96 GLN N -45.55 -31.37 -38.96 -40.78 -41.15 . . 0 "[ . 1 . 2]"
154 . 1 95 MET C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -71.00 -61.28 -62.15 -61.02 -61.18 1.88 6 0 "[ . 1 . 2]"
155 . 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 GLN N -43.79 -33.77 -38.89 -43.80 -34.18 0.01 6 0 "[ . 1 . 2]"
156 . 1 96 GLN C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -69.87 -59.25 -71.44 -70.42 -70.79 2.77 16 0 "[ . 1 . 2]"
157 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 LEU N -47.28 -37.16 -46.31 -49.04 -44.33 1.76 14 0 "[ . 1 . 2]"
158 . 1 97 GLN C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -69.96 -58.32 -70.11 -70.33 -70.47 1.38 14 0 "[ . 1 . 2]"
159 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 GLN N -45.40 -36.54 -38.39 -38.72 -39.06 . . 0 "[ . 1 . 2]"
160 . 1 98 LEU C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -68.34 -57.26 -63.21 -66.14 -59.51 . . 0 "[ . 1 . 2]"
161 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 ASP N -50.27 -34.51 -34.54 -33.42 -33.49 1.57 13 0 "[ . 1 . 2]"
162 . 1 99 GLN C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -73.76 -59.22 -74.09 -75.07 -70.91 1.31 12 0 "[ . 1 . 2]"
163 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 LEU N -46.54 -7.74 -15.24 -13.36 -13.75 . . 0 "[ . 1 . 2]"
164 . 1 100 ASP C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -99.26 -84.72 -91.14 -93.71 -88.66 . . 0 "[ . 1 . 2]"
165 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 GLY N -19.50 6.02 -16.94 -18.68 -19.33 0.40 1 0 "[ . 1 . 2]"
166 . 1 102 GLY C 1 103 HIS N 1 103 HIS CA 1 103 HIS C -119.21 -74.27 -85.86 -81.45 -82.84 . . 0 "[ . 1 . 2]"
167 . 1 103 HIS N 1 103 HIS CA 1 103 HIS C 1 104 PRO N 100.64 159.24 152.94 151.00 154.70 . . 0 "[ . 1 . 2]"
168 . 1 104 PRO N 1 104 PRO CA 1 104 PRO C 1 105 PRO N 142.68 162.04 157.37 157.66 157.00 0.18 15 0 "[ . 1 . 2]"
169 . 1 105 PRO N 1 105 PRO CA 1 105 PRO C 1 106 LYS N 116.91 157.55 148.61 145.06 144.31 . . 0 "[ . 1 . 2]"
170 . 1 105 PRO C 1 106 LYS N 1 106 LYS CA 1 106 LYS C -57.71 -48.45 -58.10 -58.58 -58.70 1.49 13 0 "[ . 1 . 2]"
171 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C 1 107 GLU N -46.60 -34.76 -33.48 -40.86 -31.77 2.99 7 0 "[ . 1 . 2]"
172 . 1 106 LYS C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -79.00 -63.66 -62.85 -63.00 -63.22 2.03 7 0 "[ . 1 . 2]"
173 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 LEU N -35.61 -6.47 -33.98 -30.69 -33.75 1.15 16 0 "[ . 1 . 2]"
174 . 1 107 GLU C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -114.90 -65.84 -86.00 -91.93 -81.26 . . 0 "[ . 1 . 2]"
175 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 ALA N -37.82 6.86 -13.89 -17.56 -10.18 . . 0 "[ . 1 . 2]"
176 . 1 108 LEU C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -105.25 -73.21 -107.15 -107.16 -107.50 3.34 15 0 "[ . 1 . 2]"
177 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 GLY N -28.39 9.87 11.78 11.12 10.78 3.69 16 0 "[ . 1 . 2]"
178 . 1 119 ASP C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -65.24 -51.62 -56.26 -57.69 -58.62 . . 0 "[ . 1 . 2]"
179 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 ASP N -42.38 -23.10 -45.49 -46.95 -42.78 4.57 2 0 "[ . 1 . 2]"
180 . 1 120 LEU C 1 121 ASP N 1 121 ASP CA 1 121 ASP C -69.29 -57.69 -59.50 -61.10 -62.44 1.57 5 0 "[ . 1 . 2]"
181 . 1 121 ASP N 1 121 ASP CA 1 121 ASP C 1 122 ALA N -46.71 -29.37 -43.07 -46.70 -38.00 . . 0 "[ . 1 . 2]"
182 . 1 121 ASP C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -81.82 -58.38 -69.67 -68.66 -68.68 . . 0 "[ . 1 . 2]"
183 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C 1 123 LEU N -47.03 -22.43 -27.74 -30.87 -32.20 0.52 12 0 "[ . 1 . 2]"
184 . 1 122 ALA C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -95.91 -60.09 -81.28 -93.91 -69.42 . . 0 "[ . 1 . 2]"
185 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 ASN N -39.74 -8.40 -29.41 -30.83 -31.68 0.41 4 0 "[ . 1 . 2]"
186 . 1 136 CYS C 1 137 LEU N 1 137 LEU CA 1 137 LEU C -125.34 -70.60 -126.54 -128.48 -122.20 3.14 17 0 "[ . 1 . 2]"
187 . 1 137 LEU C 1 138 ILE N 1 138 ILE CA 1 138 ILE C -121.23 -74.29 -81.03 -76.75 -78.89 1.02 17 0 "[ . 1 . 2]"
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