NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503173 |
2lah   |
17524 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lah
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 220
_TA_constraint_stats_list.Viol_count 135
_TA_constraint_stats_list.Viol_total 3093.45
_TA_constraint_stats_list.Viol_max 5.01
_TA_constraint_stats_list.Viol_rms 0.26
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 1.15
_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 14 PRO C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -84.40 -44.40 -58.10 -50.38 -51.98 . . 0 "[ . 1 . 2]"
2 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 ASN N -56.20 -16.20 -51.71 -57.49 -41.05 1.29 11 0 "[ . 1 . 2]"
3 . 1 15 GLU C 1 16 ASN N 1 16 ASN CA 1 16 ASN C -83.80 -43.80 -63.86 -63.43 -65.00 . . 0 "[ . 1 . 2]"
4 . 1 16 ASN N 1 16 ASN CA 1 16 ASN C 1 17 VAL N -61.10 -21.10 -44.26 -52.01 -35.54 . . 0 "[ . 1 . 2]"
5 . 1 16 ASN C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -86.30 -46.30 -52.02 -55.23 -55.32 . . 0 "[ . 1 . 2]"
6 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 LEU N -62.50 -22.50 -47.17 -44.07 -44.20 . . 0 "[ . 1 . 2]"
7 . 1 17 VAL C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -82.70 -42.70 -69.58 -82.61 -60.30 . . 0 "[ . 1 . 2]"
8 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 GLN N -62.30 -22.30 -43.24 -52.70 -36.70 . . 0 "[ . 1 . 2]"
9 . 1 18 LEU C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -84.10 -44.10 -62.60 -62.83 -63.43 . . 0 "[ . 1 . 2]"
10 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 MET N -60.90 -20.90 -23.29 -28.46 -17.85 3.05 5 0 "[ . 1 . 2]"
11 . 1 19 GLN C 1 20 MET N 1 20 MET CA 1 20 MET C -85.00 -45.00 -60.68 -57.78 -58.81 . . 0 "[ . 1 . 2]"
12 . 1 20 MET N 1 20 MET CA 1 20 MET C 1 21 LEU N -61.00 -21.00 -46.79 -56.68 -35.59 . . 0 "[ . 1 . 2]"
13 . 1 20 MET C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -100.50 -42.00 -74.66 -76.63 -79.35 . . 0 "[ . 1 . 2]"
14 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 GLU N -69.00 1.30 -33.36 -32.35 -33.02 . . 0 "[ . 1 . 2]"
15 . 1 21 LEU C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -84.30 -44.30 -64.04 -60.84 -61.34 . . 0 "[ . 1 . 2]"
16 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 ALA N -59.80 -19.80 -38.74 -44.63 -29.53 . . 0 "[ . 1 . 2]"
17 . 1 22 GLU C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -85.30 -45.30 -58.75 -62.79 -54.31 . . 0 "[ . 1 . 2]"
18 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 HIS N -59.10 -19.10 -34.93 -32.73 -34.13 . . 0 "[ . 1 . 2]"
19 . 1 23 ALA C 1 24 HIS N 1 24 HIS CA 1 24 HIS C -82.40 -42.40 -75.88 -70.13 -72.13 0.23 10 0 "[ . 1 . 2]"
20 . 1 24 HIS N 1 24 HIS CA 1 24 HIS C 1 25 MET N -65.70 -25.70 -39.28 -49.31 -27.71 . . 0 "[ . 1 . 2]"
21 . 1 24 HIS C 1 25 MET N 1 25 MET CA 1 25 MET C -95.40 -40.80 -65.35 -68.63 -73.30 . . 0 "[ . 1 . 2]"
22 . 1 25 MET N 1 25 MET CA 1 25 MET C 1 26 GLN N -57.10 0.30 -27.73 -29.17 -30.66 . . 0 "[ . 1 . 2]"
23 . 1 25 MET C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -87.50 -47.50 -51.20 -58.28 -46.48 1.02 4 0 "[ . 1 . 2]"
24 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 SER N -51.90 -1.10 -36.71 -43.14 -52.12 0.26 1 0 "[ . 1 . 2]"
25 . 1 26 GLN C 1 27 SER N 1 27 SER CA 1 27 SER C -133.20 -58.60 -121.69 -106.90 -111.76 1.92 10 0 "[ . 1 . 2]"
26 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 TYR N -50.10 37.30 6.36 -50.13 38.51 1.21 10 0 "[ . 1 . 2]"
27 . 1 33 PRO C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -82.80 -42.80 -59.35 -56.31 -58.43 . . 0 "[ . 1 . 2]"
28 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 GLY N -54.70 -14.70 -40.05 -37.44 -38.23 . . 0 "[ . 1 . 2]"
29 . 1 34 LEU C 1 35 GLY N 1 35 GLY CA 1 35 GLY C -84.70 -44.70 -56.65 -57.77 -58.77 . . 0 "[ . 1 . 2]"
30 . 1 35 GLY N 1 35 GLY CA 1 35 GLY C 1 36 GLU N -54.80 -14.60 -37.25 -45.19 -20.47 . . 0 "[ . 1 . 2]"
31 . 1 35 GLY C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -87.50 -47.50 -66.13 -73.77 -79.16 . . 0 "[ . 1 . 2]"
32 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 TRP N -62.50 -22.50 -42.39 -45.35 -47.37 . . 0 "[ . 1 . 2]"
33 . 1 36 GLU C 1 37 TRP N 1 37 TRP CA 1 37 TRP C -81.50 -41.50 -60.57 -56.64 -59.61 . . 0 "[ . 1 . 2]"
34 . 1 37 TRP N 1 37 TRP CA 1 37 TRP C 1 38 GLU N -60.80 -20.80 -45.79 -50.27 -38.92 . . 0 "[ . 1 . 2]"
35 . 1 37 TRP C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -81.40 -41.40 -58.10 -56.72 -57.54 . . 0 "[ . 1 . 2]"
36 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ARG N -61.10 -21.10 -33.44 -39.52 -26.06 . . 0 "[ . 1 . 2]"
37 . 1 38 GLU C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -84.20 -44.20 -61.36 -64.95 -65.92 . . 0 "[ . 1 . 2]"
38 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 TYR N -61.40 -21.40 -36.20 -44.98 -25.07 . . 0 "[ . 1 . 2]"
39 . 1 39 ARG C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -83.50 -43.50 -81.10 -76.06 -77.98 2.56 5 0 "[ . 1 . 2]"
40 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 ILE N -66.50 -26.50 -35.51 -46.40 -30.84 . . 0 "[ . 1 . 2]"
41 . 1 40 TYR C 1 41 ILE N 1 41 ILE CA 1 41 ILE C -83.10 -43.10 -61.09 -66.82 -46.96 . . 0 "[ . 1 . 2]"
42 . 1 41 ILE N 1 41 ILE CA 1 41 ILE C 1 42 GLN N -63.20 -23.20 -46.34 -43.36 -44.59 . . 0 "[ . 1 . 2]"
43 . 1 41 ILE C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -82.10 -42.10 -69.70 -82.02 -60.95 . . 0 "[ . 1 . 2]"
44 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 TRP N -58.30 -18.30 -36.13 -23.27 -32.03 . . 0 "[ . 1 . 2]"
45 . 1 42 GLN C 1 43 TRP N 1 43 TRP CA 1 43 TRP C -84.60 -44.60 -62.87 -68.59 -57.39 . . 0 "[ . 1 . 2]"
46 . 1 43 TRP N 1 43 TRP CA 1 43 TRP C 1 44 VAL N -60.60 -20.60 -45.26 -45.86 -46.55 . . 0 "[ . 1 . 2]"
47 . 1 43 TRP C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -84.40 -44.40 -69.42 -66.45 -67.36 . . 0 "[ . 1 . 2]"
48 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 GLU N -63.10 -23.10 -29.08 -44.25 -20.16 2.94 8 0 "[ . 1 . 2]"
49 . 1 44 VAL C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -79.50 -39.50 -72.41 -70.44 -71.94 1.90 13 0 "[ . 1 . 2]"
50 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 GLU N -64.30 -24.30 -36.92 -54.81 -22.50 1.80 13 0 "[ . 1 . 2]"
51 . 1 45 GLU C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -102.30 -49.80 -82.52 -82.73 -84.93 . . 0 "[ . 1 . 2]"
52 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ASN N -54.70 -12.40 -39.16 -49.08 -29.59 . . 0 "[ . 1 . 2]"
53 . 1 46 GLU C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -118.20 -47.60 -88.13 -97.66 -81.23 . . 0 "[ . 1 . 2]"
54 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 PHE N -63.30 19.30 -30.89 -26.98 -28.51 . . 0 "[ . 1 . 2]"
55 . 1 51 ASN C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -81.10 -41.10 -73.18 -82.08 -64.51 0.98 20 0 "[ . 1 . 2]"
56 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 GLU N -58.40 -5.10 -23.85 -40.23 -10.28 . . 0 "[ . 1 . 2]"
57 . 1 52 LYS C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -80.40 -40.40 -54.93 -66.93 -48.52 . . 0 "[ . 1 . 2]"
58 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 TYR N -58.80 -18.80 -30.66 -31.97 -32.73 . . 0 "[ . 1 . 2]"
59 . 1 53 GLU C 1 54 TYR N 1 54 TYR CA 1 54 TYR C -85.20 -43.90 -66.71 -68.83 -69.06 . . 0 "[ . 1 . 2]"
60 . 1 54 TYR N 1 54 TYR CA 1 54 TYR C 1 55 LEU N -61.10 -21.10 -54.14 -61.56 -41.98 0.46 4 0 "[ . 1 . 2]"
61 . 1 54 TYR C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -84.00 -44.00 -55.77 -52.92 -53.42 . . 0 "[ . 1 . 2]"
62 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ILE N -62.90 -21.70 -47.99 -49.46 -49.91 . . 0 "[ . 1 . 2]"
63 . 1 55 LEU C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -85.50 -45.50 -59.27 -65.71 -54.87 . . 0 "[ . 1 . 2]"
64 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 THR N -62.50 -22.50 -39.38 -38.23 -39.24 . . 0 "[ . 1 . 2]"
65 . 1 56 ILE C 1 57 THR N 1 57 THR CA 1 57 THR C -82.20 -42.20 -56.03 -57.46 -57.90 . . 0 "[ . 1 . 2]"
66 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 LEU N -61.30 -21.30 -45.11 -45.59 -45.86 . . 0 "[ . 1 . 2]"
67 . 1 57 THR C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -86.00 -46.00 -66.08 -79.46 -56.70 . . 0 "[ . 1 . 2]"
68 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 LEU N -62.80 -22.80 -37.99 -43.54 -29.21 . . 0 "[ . 1 . 2]"
69 . 1 58 LEU C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -87.80 -47.80 -72.79 -71.66 -72.58 . . 0 "[ . 1 . 2]"
70 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 GLU N -57.20 -17.20 -45.96 -49.00 -49.87 . . 0 "[ . 1 . 2]"
71 . 1 59 LEU C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -84.40 -44.40 -63.50 -71.45 -52.32 . . 0 "[ . 1 . 2]"
72 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 HIS N -61.90 -21.90 -40.13 -60.06 -25.10 . . 0 "[ . 1 . 2]"
73 . 1 60 GLU C 1 61 HIS N 1 61 HIS CA 1 61 HIS C -83.20 -43.20 -75.56 -81.58 -83.65 2.87 1 0 "[ . 1 . 2]"
74 . 1 61 HIS N 1 61 HIS CA 1 61 HIS C 1 62 LEU N -55.70 -15.70 -24.29 -42.33 -15.69 0.01 16 0 "[ . 1 . 2]"
75 . 1 61 HIS C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -83.40 -43.40 -62.69 -62.48 -63.18 . . 0 "[ . 1 . 2]"
76 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 MET N -62.60 -22.60 -50.45 -58.13 -43.70 . . 0 "[ . 1 . 2]"
77 . 1 62 LEU C 1 63 MET N 1 63 MET CA 1 63 MET C -82.90 -42.90 -70.74 -77.08 -63.72 . . 0 "[ . 1 . 2]"
78 . 1 63 MET N 1 63 MET CA 1 63 MET C 1 64 LYS N -60.80 -20.80 -27.64 -34.23 -20.25 0.55 19 0 "[ . 1 . 2]"
79 . 1 63 MET C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -82.60 -42.60 -71.64 -72.03 -73.45 . . 0 "[ . 1 . 2]"
80 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 GLU N -63.60 -3.00 -39.79 -40.22 -41.98 . . 0 "[ . 1 . 2]"
81 . 1 64 LYS C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -85.80 -43.50 -65.39 -78.83 -55.94 . . 0 "[ . 1 . 2]"
82 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 PHE N -54.20 -14.20 -47.10 -56.46 -32.33 2.26 10 0 "[ . 1 . 2]"
83 . 1 65 GLU C 1 66 PHE N 1 66 PHE CA 1 66 PHE C -99.40 -59.40 -96.06 -97.84 -99.02 3.31 13 0 "[ . 1 . 2]"
84 . 1 66 PHE N 1 66 PHE CA 1 66 PHE C 1 67 LEU N -59.40 7.60 5.41 8.87 8.07 1.61 16 0 "[ . 1 . 2]"
85 . 1 66 PHE C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -81.30 -41.30 -55.45 -55.82 -57.72 . . 0 "[ . 1 . 2]"
86 . 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 ASP N -60.70 -20.70 -52.44 -62.26 -62.69 2.39 14 0 "[ . 1 . 2]"
87 . 1 67 LEU C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -113.50 -73.50 -89.51 -100.32 -81.02 . . 0 "[ . 1 . 2]"
88 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 LYS N -12.90 27.10 -11.27 -17.17 1.09 4.27 12 0 "[ . 1 . 2]"
89 . 1 69 LYS C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -79.70 -39.50 -66.34 -65.50 -66.81 . . 0 "[ . 1 . 2]"
90 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 LYS N -59.10 5.30 -19.29 -36.19 -2.99 . . 0 "[ . 1 . 2]"
91 . 1 70 LYS C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -86.10 -46.10 -68.97 -68.86 -71.77 . . 0 "[ . 1 . 2]"
92 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 TYR N -46.70 -6.70 -17.60 -42.75 -6.08 0.62 10 0 "[ . 1 . 2]"
93 . 1 71 LYS C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -109.90 -48.00 -97.05 -111.24 -81.01 1.34 20 0 "[ . 1 . 2]"
94 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 HIS N -63.20 9.60 1.90 4.49 3.51 3.15 12 0 "[ . 1 . 2]"
95 . 1 76 PRO C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -87.00 -43.20 -71.63 -82.01 -61.87 . . 0 "[ . 1 . 2]"
96 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 PHE N -67.60 -1.50 -49.70 -44.60 -48.31 . . 0 "[ . 1 . 2]"
97 . 1 77 ARG C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -105.20 -43.50 -58.36 -71.07 -51.67 . . 0 "[ . 1 . 2]"
98 . 1 78 PHE N 1 78 PHE CA 1 78 PHE C 1 79 ILE N -71.80 -1.80 -47.71 -50.04 -44.88 . . 0 "[ . 1 . 2]"
99 . 1 78 PHE C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -81.40 -41.40 -62.37 -64.00 -66.55 . . 0 "[ . 1 . 2]"
100 . 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 SER N -65.10 -25.10 -40.10 -38.36 -38.99 . . 0 "[ . 1 . 2]"
101 . 1 79 ILE C 1 80 SER N 1 80 SER CA 1 80 SER C -81.50 -41.50 -58.37 -56.73 -57.42 . . 0 "[ . 1 . 2]"
102 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 TYR N -60.00 -20.00 -34.80 -40.22 -28.41 . . 0 "[ . 1 . 2]"
103 . 1 80 SER C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -85.30 -45.30 -77.10 -80.42 -69.44 . . 0 "[ . 1 . 2]"
104 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 CYS N -63.00 -23.00 -27.55 -27.12 -27.53 0.85 20 0 "[ . 1 . 2]"
105 . 1 81 TYR C 1 82 CYS N 1 82 CYS CA 1 82 CYS C -89.60 -43.40 -68.91 -71.36 -60.48 . . 0 "[ . 1 . 2]"
106 . 1 82 CYS N 1 82 CYS CA 1 82 CYS C 1 83 LEU N -63.30 -22.00 -36.66 -37.90 -38.42 . . 0 "[ . 1 . 2]"
107 . 1 82 CYS C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -84.30 -44.30 -69.07 -72.34 -65.85 . . 0 "[ . 1 . 2]"
108 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 LYS N -58.10 -18.10 -39.26 -46.20 -34.16 . . 0 "[ . 1 . 2]"
109 . 1 83 LEU C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -87.30 -47.30 -63.28 -62.25 -63.31 . . 0 "[ . 1 . 2]"
110 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 PHE N -54.00 -14.00 -42.99 -43.03 -44.49 . . 0 "[ . 1 . 2]"
111 . 1 84 LYS C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -103.90 -38.20 -67.00 -76.35 -61.91 . . 0 "[ . 1 . 2]"
112 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 ALA N -74.00 2.10 -34.94 -43.47 -26.77 . . 0 "[ . 1 . 2]"
113 . 1 85 PHE C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -84.80 -44.00 -56.20 -62.66 -52.26 . . 0 "[ . 1 . 2]"
114 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 GLU N -57.50 -17.50 -45.29 -38.31 -39.95 . . 0 "[ . 1 . 2]"
115 . 1 86 ALA C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -88.10 -48.10 -63.65 -74.55 -55.41 . . 0 "[ . 1 . 2]"
116 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 TYR N -45.70 3.80 -15.62 -26.28 1.89 . . 0 "[ . 1 . 2]"
117 . 1 91 ASP C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -82.30 -42.30 -72.47 -72.94 -74.22 . . 0 "[ . 1 . 2]"
118 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 HIS N -56.60 -16.60 -27.84 -24.23 -25.39 1.33 4 0 "[ . 1 . 2]"
119 . 1 92 LEU C 1 93 HIS N 1 93 HIS CA 1 93 HIS C -84.40 -44.40 -59.00 -51.21 -53.82 . . 0 "[ . 1 . 2]"
120 . 1 93 HIS N 1 93 HIS CA 1 93 HIS C 1 94 GLN N -64.60 -22.80 -35.38 -57.59 -61.03 0.99 19 0 "[ . 1 . 2]"
121 . 1 93 HIS C 1 94 GLN N 1 94 GLN CA 1 94 GLN C -87.60 -47.60 -81.81 -89.43 -59.53 1.83 13 0 "[ . 1 . 2]"
122 . 1 94 GLN N 1 94 GLN CA 1 94 GLN C 1 95 PHE N -62.20 -22.20 -41.63 -38.21 -39.61 . . 0 "[ . 1 . 2]"
123 . 1 94 GLN C 1 95 PHE N 1 95 PHE CA 1 95 PHE C -83.30 -43.30 -61.70 -61.70 -62.33 . . 0 "[ . 1 . 2]"
124 . 1 95 PHE N 1 95 PHE CA 1 95 PHE C 1 96 PHE N -64.40 -24.40 -62.26 -62.93 -63.50 0.64 3 0 "[ . 1 . 2]"
125 . 1 95 PHE C 1 96 PHE N 1 96 PHE CA 1 96 PHE C -82.30 -42.30 -63.86 -69.03 -58.63 . . 0 "[ . 1 . 2]"
126 . 1 96 PHE N 1 96 PHE CA 1 96 PHE C 1 97 GLU N -60.40 -20.40 -27.67 -27.12 -28.06 . . 0 "[ . 1 . 2]"
127 . 1 96 PHE C 1 97 GLU N 1 97 GLU CA 1 97 GLU C -83.20 -43.20 -65.89 -65.93 -67.45 . . 0 "[ . 1 . 2]"
128 . 1 97 GLU N 1 97 GLU CA 1 97 GLU C 1 98 PHE N -60.20 -20.20 -46.60 -55.83 -35.87 . . 0 "[ . 1 . 2]"
129 . 1 97 GLU C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -84.60 -44.60 -56.20 -54.91 -55.21 . . 0 "[ . 1 . 2]"
130 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 LEU N -63.90 -23.90 -45.48 -44.47 -45.47 . . 0 "[ . 1 . 2]"
131 . 1 98 PHE C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -81.80 -41.80 -57.21 -60.01 -55.70 . . 0 "[ . 1 . 2]"
132 . 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 TYR N -61.10 -21.10 -56.48 -61.87 -51.98 0.77 19 0 "[ . 1 . 2]"
133 . 1 99 LEU C 1 100 TYR N 1 100 TYR CA 1 100 TYR C -85.30 -45.30 -59.05 -59.07 -59.17 . . 0 "[ . 1 . 2]"
134 . 1 100 TYR N 1 100 TYR CA 1 100 TYR C 1 101 ASN N -64.40 -24.40 -39.44 -39.52 -40.44 . . 0 "[ . 1 . 2]"
135 . 1 100 TYR C 1 101 ASN N 1 101 ASN CA 1 101 ASN C -80.00 -40.00 -67.86 -73.84 -64.37 . . 0 "[ . 1 . 2]"
136 . 1 101 ASN N 1 101 ASN CA 1 101 ASN C 1 102 HIS N -60.40 -20.40 -31.93 -31.45 -32.31 . . 0 "[ . 1 . 2]"
137 . 1 110 PRO C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -83.20 -43.20 -64.60 -61.11 -62.82 . . 0 "[ . 1 . 2]"
138 . 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 TYR N -58.80 -18.80 -55.42 -58.89 -53.15 0.09 17 0 "[ . 1 . 2]"
139 . 1 111 LEU C 1 112 TYR N 1 112 TYR CA 1 112 TYR C -82.40 -42.40 -64.63 -68.63 -59.51 . . 0 "[ . 1 . 2]"
140 . 1 112 TYR N 1 112 TYR CA 1 112 TYR C 1 113 ILE N -68.00 -28.00 -38.98 -40.52 -40.72 . . 0 "[ . 1 . 2]"
141 . 1 112 TYR C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -84.90 -44.90 -63.12 -66.00 -59.64 . . 0 "[ . 1 . 2]"
142 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 ALA N -57.50 -17.50 -44.45 -43.70 -43.75 . . 0 "[ . 1 . 2]"
143 . 1 113 ILE C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -86.20 -46.20 -68.14 -72.09 -63.50 . . 0 "[ . 1 . 2]"
144 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 TRP N -63.00 -23.00 -39.93 -40.32 -42.35 . . 0 "[ . 1 . 2]"
145 . 1 114 ALA C 1 115 TRP N 1 115 TRP CA 1 115 TRP C -84.10 -44.10 -64.94 -69.58 -61.65 . . 0 "[ . 1 . 2]"
146 . 1 115 TRP N 1 115 TRP CA 1 115 TRP C 1 116 ALA N -62.40 -12.40 -56.85 -61.28 -47.99 . . 0 "[ . 1 . 2]"
147 . 1 115 TRP C 1 116 ALA N 1 116 ALA CA 1 116 ALA C -82.00 -42.00 -60.07 -57.79 -58.10 . . 0 "[ . 1 . 2]"
148 . 1 116 ALA N 1 116 ALA CA 1 116 ALA C 1 117 GLY N -59.30 -19.30 -38.01 -37.78 -38.50 . . 0 "[ . 1 . 2]"
149 . 1 116 ALA C 1 117 GLY N 1 117 GLY CA 1 117 GLY C -85.80 -45.80 -61.22 -61.68 -62.17 . . 0 "[ . 1 . 2]"
150 . 1 117 GLY N 1 117 GLY CA 1 117 GLY C 1 118 HIS N -61.90 -21.90 -41.23 -44.52 -38.33 . . 0 "[ . 1 . 2]"
151 . 1 117 GLY C 1 118 HIS N 1 118 HIS CA 1 118 HIS C -83.40 -43.40 -64.62 -71.32 -59.63 . . 0 "[ . 1 . 2]"
152 . 1 118 HIS N 1 118 HIS CA 1 118 HIS C 1 119 LEU N -63.70 -23.70 -49.15 -49.46 -50.32 . . 0 "[ . 1 . 2]"
153 . 1 118 HIS C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -84.60 -44.60 -61.68 -64.83 -57.99 . . 0 "[ . 1 . 2]"
154 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 GLU N -62.60 -22.60 -41.80 -47.41 -36.81 . . 0 "[ . 1 . 2]"
155 . 1 119 LEU C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -83.50 -43.50 -52.53 -50.46 -51.25 . . 0 "[ . 1 . 2]"
156 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 ALA N -62.30 -22.30 -47.29 -47.19 -48.00 . . 0 "[ . 1 . 2]"
157 . 1 120 GLU C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -85.50 -45.50 -63.26 -65.82 -66.36 . . 0 "[ . 1 . 2]"
158 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 GLN N -49.30 -0.40 -27.08 -40.92 -14.70 . . 0 "[ . 1 . 2]"
159 . 1 121 ALA C 1 122 GLN N 1 122 GLN CA 1 122 GLN C -111.10 -62.20 -84.22 -90.08 -93.24 . . 0 "[ . 1 . 2]"
160 . 1 122 GLN N 1 122 GLN CA 1 122 GLN C 1 123 GLY N -34.30 25.80 -26.80 -24.01 -25.67 . . 0 "[ . 1 . 2]"
161 . 1 124 GLU C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -79.70 -39.70 -62.10 -57.77 -60.14 . . 0 "[ . 1 . 2]"
162 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 GLN N -59.70 -14.20 -38.20 -41.02 -42.37 . . 0 "[ . 1 . 2]"
163 . 1 125 LEU C 1 126 GLN N 1 126 GLN CA 1 126 GLN C -84.50 -44.50 -70.10 -75.83 -63.61 . . 0 "[ . 1 . 2]"
164 . 1 126 GLN N 1 126 GLN CA 1 126 GLN C 1 127 HIS N -55.80 -15.80 -38.02 -45.03 -26.51 . . 0 "[ . 1 . 2]"
165 . 1 126 GLN C 1 127 HIS N 1 127 HIS CA 1 127 HIS C -95.30 -47.40 -72.15 -69.37 -69.71 . . 0 "[ . 1 . 2]"
166 . 1 127 HIS N 1 127 HIS CA 1 127 HIS C 1 128 ALA N -59.50 -19.50 -38.71 -45.65 -32.75 . . 0 "[ . 1 . 2]"
167 . 1 127 HIS C 1 128 ALA N 1 128 ALA CA 1 128 ALA C -98.10 -28.40 -65.63 -70.45 -61.45 . . 0 "[ . 1 . 2]"
168 . 1 128 ALA N 1 128 ALA CA 1 128 ALA C 1 129 SER N -73.90 -3.00 -39.65 -37.91 -39.42 . . 0 "[ . 1 . 2]"
169 . 1 128 ALA C 1 129 SER N 1 129 SER CA 1 129 SER C -80.10 -40.10 -61.92 -65.61 -57.18 . . 0 "[ . 1 . 2]"
170 . 1 129 SER N 1 129 SER CA 1 129 SER C 1 130 ALA N -64.10 -18.00 -42.45 -47.44 -37.17 . . 0 "[ . 1 . 2]"
171 . 1 129 SER C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -86.20 -46.20 -63.58 -66.26 -60.32 . . 0 "[ . 1 . 2]"
172 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 VAL N -59.00 -19.00 -21.26 -24.36 -28.58 1.98 17 0 "[ . 1 . 2]"
173 . 1 130 ALA C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -85.40 -45.40 -82.02 -85.31 -68.82 . . 0 "[ . 1 . 2]"
174 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 LEU N -63.50 -23.50 -46.58 -50.25 -42.21 . . 0 "[ . 1 . 2]"
175 . 1 131 VAL C 1 132 LEU N 1 132 LEU CA 1 132 LEU C -82.10 -42.10 -63.96 -64.27 -64.46 . . 0 "[ . 1 . 2]"
176 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C 1 133 GLN N -64.50 -24.50 -38.51 -37.84 -38.96 . . 0 "[ . 1 . 2]"
177 . 1 132 LEU C 1 133 GLN N 1 133 GLN CA 1 133 GLN C -81.70 -41.70 -64.05 -66.30 -67.85 . . 0 "[ . 1 . 2]"
178 . 1 133 GLN N 1 133 GLN CA 1 133 GLN C 1 134 ARG N -61.20 -21.20 -32.46 -35.64 -27.60 . . 0 "[ . 1 . 2]"
179 . 1 133 GLN C 1 134 ARG N 1 134 ARG CA 1 134 ARG C -83.80 -43.80 -59.08 -58.85 -59.05 . . 0 "[ . 1 . 2]"
180 . 1 134 ARG N 1 134 ARG CA 1 134 ARG C 1 135 GLY N -63.60 -23.60 -49.18 -56.18 -44.00 . . 0 "[ . 1 . 2]"
181 . 1 134 ARG C 1 135 GLY N 1 135 GLY CA 1 135 GLY C -87.40 -47.40 -58.04 -58.36 -58.99 . . 0 "[ . 1 . 2]"
182 . 1 135 GLY N 1 135 GLY CA 1 135 GLY C 1 136 ILE N -59.00 -16.00 -43.58 -45.78 -47.83 . . 0 "[ . 1 . 2]"
183 . 1 135 GLY C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -82.30 -42.30 -58.98 -65.69 -55.42 . . 0 "[ . 1 . 2]"
184 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 GLN N -62.20 -22.20 -51.33 -57.78 -44.93 . . 0 "[ . 1 . 2]"
185 . 1 136 ILE C 1 137 GLN N 1 137 GLN CA 1 137 GLN C -84.40 -44.40 -73.95 -75.62 -75.65 . . 0 "[ . 1 . 2]"
186 . 1 137 GLN N 1 137 GLN CA 1 137 GLN C 1 138 ASN N -59.10 -4.10 -26.59 -27.74 -29.73 . . 0 "[ . 1 . 2]"
187 . 1 137 GLN C 1 138 ASN N 1 138 ASN CA 1 138 ASN C -124.50 -53.60 -80.20 -86.86 -70.57 . . 0 "[ . 1 . 2]"
188 . 1 138 ASN N 1 138 ASN CA 1 138 ASN C 1 139 GLN N -16.40 33.20 -7.16 -13.70 2.46 . . 0 "[ . 1 . 2]"
189 . 1 142 PRO C 1 143 ARG N 1 143 ARG CA 1 143 ARG C -75.40 -28.70 -67.22 -77.19 -57.95 1.79 5 0 "[ . 1 . 2]"
190 . 1 143 ARG N 1 143 ARG CA 1 143 ARG C 1 144 GLU N -68.20 -10.90 -47.12 -57.18 -39.76 . . 0 "[ . 1 . 2]"
191 . 1 143 ARG C 1 144 GLU N 1 144 GLU CA 1 144 GLU C -81.00 -41.00 -59.86 -54.71 -57.24 . . 0 "[ . 1 . 2]"
192 . 1 144 GLU N 1 144 GLU CA 1 144 GLU C 1 145 PHE N -54.30 -14.30 -33.98 -40.35 -24.43 . . 0 "[ . 1 . 2]"
193 . 1 144 GLU C 1 145 PHE N 1 145 PHE CA 1 145 PHE C -89.60 -49.60 -64.36 -65.89 -66.53 . . 0 "[ . 1 . 2]"
194 . 1 145 PHE N 1 145 PHE CA 1 145 PHE C 1 146 LEU N -55.60 -15.60 -39.87 -43.82 -35.54 . . 0 "[ . 1 . 2]"
195 . 1 145 PHE C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -100.10 -30.20 -64.41 -67.46 -61.30 . . 0 "[ . 1 . 2]"
196 . 1 146 LEU N 1 146 LEU CA 1 146 LEU C 1 147 GLN N -73.90 6.10 -40.38 -43.85 -45.46 . . 0 "[ . 1 . 2]"
197 . 1 146 LEU C 1 147 GLN N 1 147 GLN CA 1 147 GLN C -85.40 -45.40 -72.30 -76.00 -68.60 . . 0 "[ . 1 . 2]"
198 . 1 147 GLN N 1 147 GLN CA 1 147 GLN C 1 148 GLN N -59.80 -19.80 -40.06 -39.10 -39.46 . . 0 "[ . 1 . 2]"
199 . 1 147 GLN C 1 148 GLN N 1 148 GLN CA 1 148 GLN C -83.20 -43.20 -68.86 -72.10 -66.52 . . 0 "[ . 1 . 2]"
200 . 1 148 GLN N 1 148 GLN CA 1 148 GLN C 1 149 GLN N -64.70 -24.70 -39.92 -43.23 -33.58 . . 0 "[ . 1 . 2]"
201 . 1 148 GLN C 1 149 GLN N 1 149 GLN CA 1 149 GLN C -86.70 -46.70 -70.46 -70.75 -71.24 . . 0 "[ . 1 . 2]"
202 . 1 149 GLN N 1 149 GLN CA 1 149 GLN C 1 150 TYR N -61.10 -21.10 -30.26 -38.27 -24.00 . . 0 "[ . 1 . 2]"
203 . 1 149 GLN C 1 150 TYR N 1 150 TYR CA 1 150 TYR C -83.10 -43.10 -63.70 -64.25 -64.95 . . 0 "[ . 1 . 2]"
204 . 1 150 TYR N 1 150 TYR CA 1 150 TYR C 1 151 ARG N -64.90 -24.90 -56.22 -60.17 -53.05 . . 0 "[ . 1 . 2]"
205 . 1 150 TYR C 1 151 ARG N 1 151 ARG CA 1 151 ARG C -82.10 -42.10 -65.06 -68.44 -60.65 . . 0 "[ . 1 . 2]"
206 . 1 151 ARG N 1 151 ARG CA 1 151 ARG C 1 152 LEU N -60.70 -18.00 -36.02 -35.19 -35.87 . . 0 "[ . 1 . 2]"
207 . 1 151 ARG C 1 152 LEU N 1 152 LEU CA 1 152 LEU C -82.90 -42.90 -69.65 -73.08 -65.87 . . 0 "[ . 1 . 2]"
208 . 1 152 LEU N 1 152 LEU CA 1 152 LEU C 1 153 PHE N -62.40 -17.40 -33.56 -32.44 -32.72 . . 0 "[ . 1 . 2]"
209 . 1 152 LEU C 1 153 PHE N 1 153 PHE CA 1 153 PHE C -83.30 -43.30 -66.47 -67.44 -67.54 . . 0 "[ . 1 . 2]"
210 . 1 153 PHE N 1 153 PHE CA 1 153 PHE C 1 154 GLN N -61.50 -21.50 -39.67 -47.09 -33.32 . . 0 "[ . 1 . 2]"
211 . 1 153 PHE C 1 154 GLN N 1 154 GLN CA 1 154 GLN C -83.00 -43.00 -68.03 -67.70 -68.29 . . 0 "[ . 1 . 2]"
212 . 1 154 GLN N 1 154 GLN CA 1 154 GLN C 1 155 THR N -56.80 -16.80 -38.65 -38.89 -39.11 . . 0 "[ . 1 . 2]"
213 . 1 154 GLN C 1 155 THR N 1 155 THR CA 1 155 THR C -86.60 -46.60 -67.11 -67.38 -67.81 . . 0 "[ . 1 . 2]"
214 . 1 155 THR N 1 155 THR CA 1 155 THR C 1 156 ARG N -57.90 -17.90 -23.16 -28.80 -16.90 1.00 18 0 "[ . 1 . 2]"
215 . 1 155 THR C 1 156 ARG N 1 156 ARG CA 1 156 ARG C -86.60 -46.60 -72.62 -71.54 -73.90 . . 0 "[ . 1 . 2]"
216 . 1 156 ARG N 1 156 ARG CA 1 156 ARG C 1 157 LEU N -60.80 -20.80 -55.78 -57.57 -58.20 1.37 15 0 "[ . 1 . 2]"
217 . 1 156 ARG C 1 157 LEU N 1 157 LEU CA 1 157 LEU C -89.80 -49.80 -69.96 -91.91 -60.95 2.11 3 0 "[ . 1 . 2]"
218 . 1 157 LEU N 1 157 LEU CA 1 157 LEU C 1 158 THR N -56.20 -8.90 -29.60 -38.02 -26.04 . . 0 "[ . 1 . 2]"
219 . 1 157 LEU C 1 158 THR N 1 158 THR CA 1 158 THR C -117.70 -67.30 -75.94 -93.81 -66.82 0.48 12 0 "[ . 1 . 2]"
220 . 1 158 THR N 1 158 THR CA 1 158 THR C 1 159 GLU N -34.30 5.70 -28.63 -29.69 -29.86 5.01 11 1 "[ . 1+ . 2]"
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