NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432258 |
2jrz   |
15348 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jrz
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 209
_TA_constraint_stats_list.Viol_count 425
_TA_constraint_stats_list.Viol_total 12442.58
_TA_constraint_stats_list.Viol_max 7.54
_TA_constraint_stats_list.Viol_rms 0.63
_TA_constraint_stats_list.Viol_average_all_restraints 0.15
_TA_constraint_stats_list.Viol_average_violations_only 1.46
_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 1 SER C 1 2 MET N 1 2 MET CA 1 2 MET C -104.00 -24.00 -72.53 -59.07 -65.38 1.04 10 0 "[ . 1 . 2]"
2 . 1 2 MET N 1 2 MET CA 1 2 MET C 1 3 ASN N -80.00 0.00 -21.78 -56.00 3.91 3.91 19 0 "[ . 1 . 2]"
3 . 1 2 MET C 1 3 ASN N 1 3 ASN CA 1 3 ASN C -104.00 -24.00 -54.04 -64.04 -35.66 . . 0 "[ . 1 . 2]"
4 . 1 3 ASN N 1 3 ASN CA 1 3 ASN C 1 4 GLU N -80.00 0.00 -39.75 -52.16 -32.11 . . 0 "[ . 1 . 2]"
5 . 1 3 ASN C 1 4 GLU N 1 4 GLU CA 1 4 GLU C -104.00 -24.00 -58.06 -66.69 -46.99 . . 0 "[ . 1 . 2]"
6 . 1 4 GLU N 1 4 GLU CA 1 4 GLU C 1 5 LEU N -80.00 0.00 -31.47 -37.79 -43.01 . . 0 "[ . 1 . 2]"
7 . 1 4 GLU C 1 5 LEU N 1 5 LEU CA 1 5 LEU C -104.00 -24.00 -85.10 -100.90 -71.34 . . 0 "[ . 1 . 2]"
8 . 1 5 LEU N 1 5 LEU CA 1 5 LEU C 1 6 GLU N -80.00 0.00 -39.01 -34.25 -35.24 . . 0 "[ . 1 . 2]"
9 . 1 5 LEU C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -104.00 -24.00 -76.14 -74.33 -75.73 1.22 19 0 "[ . 1 . 2]"
10 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 ALA N -80.00 0.00 -5.86 -22.67 3.24 3.24 12 0 "[ . 1 . 2]"
11 . 1 6 GLU C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -74.00 -14.00 -46.02 -40.54 -42.48 . . 0 "[ . 1 . 2]"
12 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 GLN N -94.00 -34.00 -47.45 -43.69 -47.92 0.39 4 0 "[ . 1 . 2]"
13 . 1 7 ALA C 1 8 GLN N 1 8 GLN CA 1 8 GLN C -107.00 -27.00 -84.77 -104.64 -61.91 . . 0 "[ . 1 . 2]"
14 . 1 8 GLN N 1 8 GLN CA 1 8 GLN C 1 9 THR N 144.00 -136.00 141.39 139.37 143.68 4.63 11 0 "[ . 1 . 2]"
15 . 1 8 GLN C 1 9 THR N 1 9 THR CA 1 9 THR C -152.00 -72.00 -101.02 -126.90 -91.70 . . 0 "[ . 1 . 2]"
16 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 ARG N 129.00 -151.00 140.06 137.81 135.00 . . 0 "[ . 1 . 2]"
17 . 1 9 THR C 1 10 ARG N 1 10 ARG CA 1 10 ARG C 30.00 90.00 60.40 55.88 50.89 . . 0 "[ . 1 . 2]"
18 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 VAL N 10.00 70.00 4.90 2.46 6.46 7.54 4 11 "[ * +* * *1 *-****]"
19 . 1 10 ARG C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -108.00 -48.00 -111.77 -113.42 -109.94 5.42 17 1 "[ . 1 . + 2]"
20 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 LYS N -56.00 4.00 -42.85 -56.25 -22.58 0.25 14 0 "[ . 1 . 2]"
21 . 1 11 VAL C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -90.00 -30.00 -83.91 -82.77 -83.51 1.77 14 0 "[ . 1 . 2]"
22 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 LEU N -70.00 -10.00 -28.71 -35.58 -43.68 . . 0 "[ . 1 . 2]"
23 . 1 12 LYS C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -90.00 -30.00 -62.71 -78.29 -46.08 . . 0 "[ . 1 . 2]"
24 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 ASN N -70.00 -10.00 -49.25 -40.92 -42.79 . . 0 "[ . 1 . 2]"
25 . 1 13 LEU C 1 14 ASN N 1 14 ASN CA 1 14 ASN C -97.00 -37.00 -61.07 -67.24 -55.54 . . 0 "[ . 1 . 2]"
26 . 1 14 ASN N 1 14 ASN CA 1 14 ASN C 1 15 TYR N -67.00 -7.00 -47.99 -49.03 -50.73 . . 0 "[ . 1 . 2]"
27 . 1 14 ASN C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -97.00 -37.00 -59.11 -58.24 -59.27 . . 0 "[ . 1 . 2]"
28 . 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 LEU N -69.00 -9.00 -41.93 -59.40 -32.05 . . 0 "[ . 1 . 2]"
29 . 1 15 TYR C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -91.00 -31.00 -61.64 -62.72 -63.83 . . 0 "[ . 1 . 2]"
30 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 ASP N -69.00 -9.00 -46.70 -47.21 -47.80 . . 0 "[ . 1 . 2]"
31 . 1 16 LEU C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -91.00 -31.00 -56.14 -54.89 -56.36 . . 0 "[ . 1 . 2]"
32 . 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 GLN N -75.00 -15.00 -51.54 -59.98 -41.17 . . 0 "[ . 1 . 2]"
33 . 1 17 ASP C 1 18 GLN N 1 18 GLN CA 1 18 GLN C -96.00 -36.00 -64.98 -74.40 -58.40 . . 0 "[ . 1 . 2]"
34 . 1 18 GLN N 1 18 GLN CA 1 18 GLN C 1 19 ILE N -68.00 -8.00 -51.70 -41.44 -51.07 . . 0 "[ . 1 . 2]"
35 . 1 18 GLN C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -94.00 -34.00 -64.49 -74.16 -56.78 . . 0 "[ . 1 . 2]"
36 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 ALA N -72.00 -12.00 -27.52 -45.06 -15.32 . . 0 "[ . 1 . 2]"
37 . 1 19 ILE C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -93.00 -33.00 -80.55 -93.45 -68.29 0.45 12 0 "[ . 1 . 2]"
38 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 LYS N -68.00 -8.00 -51.47 -53.73 -55.25 . . 0 "[ . 1 . 2]"
39 . 1 20 ALA C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -96.00 -36.00 -62.57 -59.92 -60.40 . . 0 "[ . 1 . 2]"
40 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 PHE N -71.00 -11.00 -48.21 -49.64 -50.79 . . 0 "[ . 1 . 2]"
41 . 1 21 LYS C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -94.00 -34.00 -55.71 -62.09 -48.06 . . 0 "[ . 1 . 2]"
42 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 TRP N -70.00 -10.00 -52.42 -67.94 -39.77 . . 0 "[ . 1 . 2]"
43 . 1 22 PHE C 1 23 TRP N 1 23 TRP CA 1 23 TRP C -103.00 -23.00 -73.57 -75.62 -77.20 . . 0 "[ . 1 . 2]"
44 . 1 23 TRP N 1 23 TRP CA 1 23 TRP C 1 24 GLU N -78.00 2.00 -34.07 -34.22 -36.18 . . 0 "[ . 1 . 2]"
45 . 1 23 TRP C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -94.00 -34.00 -67.40 -76.75 -58.80 . . 0 "[ . 1 . 2]"
46 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 ILE N -70.00 -10.00 -40.21 -26.23 -32.10 . . 0 "[ . 1 . 2]"
47 . 1 24 GLU C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -103.00 -23.00 -80.92 -103.47 -72.42 0.47 15 0 "[ . 1 . 2]"
48 . 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 GLN N -78.00 2.00 -12.58 -18.62 -3.21 . . 0 "[ . 1 . 2]"
49 . 1 27 GLY C 1 28 SER N 1 28 SER CA 1 28 SER C -148.00 -68.00 -147.26 -146.65 -148.16 1.95 18 0 "[ . 1 . 2]"
50 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 SER N 108.00 -172.00 -173.31 167.77 -169.84 2.16 12 0 "[ . 1 . 2]"
51 . 1 29 SER C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -138.00 -58.00 -77.77 -73.32 -74.31 . . 0 "[ . 1 . 2]"
52 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 LYS N 84.00 164.00 107.90 103.15 96.75 0.16 20 0 "[ . 1 . 2]"
53 . 1 30 LEU C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -143.00 -63.00 -125.19 -143.88 -91.86 0.88 5 0 "[ . 1 . 2]"
54 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 ILE N 78.00 158.00 94.63 95.95 94.44 0.05 14 0 "[ . 1 . 2]"
55 . 1 31 LYS C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -138.00 -58.00 -102.48 -128.58 -73.90 . . 0 "[ . 1 . 2]"
56 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 PRO N 81.00 161.00 111.10 82.96 140.14 . . 0 "[ . 1 . 2]"
57 . 1 33 PRO C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -139.00 -79.00 -128.85 -106.71 -114.24 0.84 13 0 "[ . 1 . 2]"
58 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 VAL N 103.00 163.00 150.49 134.34 159.05 . . 0 "[ . 1 . 2]"
59 . 1 34 ASN C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -155.00 -95.00 -141.62 -126.54 -131.68 . . 0 "[ . 1 . 2]"
60 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 GLU N 104.00 164.00 140.20 138.11 136.31 . . 0 "[ . 1 . 2]"
61 . 1 35 VAL C 1 36 GLU N 1 36 GLU CA 1 36 GLU C 60.00 120.00 62.12 62.51 62.07 2.20 3 0 "[ . 1 . 2]"
62 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 ARG N -41.00 19.00 22.61 22.92 22.63 5.83 8 3 "[ -. *+ 1 . 2]"
63 . 1 36 GLU C 1 37 ARG N 1 37 ARG CA 1 37 ARG C 60.00 120.00 74.35 59.67 81.42 0.33 8 0 "[ . 1 . 2]"
64 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 ARG N -41.00 19.00 12.08 -2.21 20.35 1.35 8 0 "[ . 1 . 2]"
65 . 1 37 ARG C 1 38 ARG N 1 38 ARG CA 1 38 ARG C -142.00 -82.00 -114.75 -138.15 -87.74 . . 0 "[ . 1 . 2]"
66 . 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1 39 ILE N 108.00 168.00 133.21 133.12 128.27 . . 0 "[ . 1 . 2]"
67 . 1 38 ARG C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -126.00 -66.00 -67.87 -66.16 -67.96 1.84 12 0 "[ . 1 . 2]"
68 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 LEU N 95.00 155.00 146.55 131.55 153.08 . . 0 "[ . 1 . 2]"
69 . 1 39 ILE C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -129.00 -69.00 -69.19 -68.56 -68.69 1.95 12 0 "[ . 1 . 2]"
70 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 ASP N 91.00 151.00 97.08 96.41 95.10 1.04 18 0 "[ . 1 . 2]"
71 . 1 40 LEU C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -133.00 -73.00 -72.84 -71.13 -71.50 2.56 13 0 "[ . 1 . 2]"
72 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 LEU N 80.00 140.00 94.50 80.99 139.70 . . 0 "[ . 1 . 2]"
73 . 1 42 LEU C 1 43 TYR N 1 43 TYR CA 1 43 TYR C -91.00 -31.00 -57.12 -64.40 -47.70 . . 0 "[ . 1 . 2]"
74 . 1 43 TYR N 1 43 TYR CA 1 43 TYR C 1 44 SER N -73.00 -13.00 -61.23 -71.64 -50.37 . . 0 "[ . 1 . 2]"
75 . 1 43 TYR C 1 44 SER N 1 44 SER CA 1 44 SER C -96.00 -36.00 -60.74 -59.32 -59.79 . . 0 "[ . 1 . 2]"
76 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 LEU N -67.00 -7.00 -40.94 -40.26 -41.46 . . 0 "[ . 1 . 2]"
77 . 1 44 SER C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -97.00 -37.00 -56.67 -55.43 -56.17 . . 0 "[ . 1 . 2]"
78 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 SER N -66.00 -6.00 -48.09 -53.07 -53.17 . . 0 "[ . 1 . 2]"
79 . 1 45 LEU C 1 46 SER N 1 46 SER CA 1 46 SER C -93.00 -33.00 -62.24 -71.20 -57.56 . . 0 "[ . 1 . 2]"
80 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 LYS N -71.00 -11.00 -51.24 -45.12 -49.26 . . 0 "[ . 1 . 2]"
81 . 1 46 SER C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -96.00 -36.00 -64.65 -64.17 -65.45 . . 0 "[ . 1 . 2]"
82 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ILE N -68.00 -8.00 -33.76 -41.52 -28.08 . . 0 "[ . 1 . 2]"
83 . 1 47 LYS C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -99.00 -39.00 -68.97 -76.75 -58.61 . . 0 "[ . 1 . 2]"
84 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 VAL N -70.00 -10.00 -46.02 -49.03 -50.54 . . 0 "[ . 1 . 2]"
85 . 1 48 ILE C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -93.00 -33.00 -58.05 -57.02 -57.31 . . 0 "[ . 1 . 2]"
86 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 VAL N -76.00 -16.00 -42.95 -48.01 -35.83 . . 0 "[ . 1 . 2]"
87 . 1 49 VAL C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -90.00 -30.00 -64.50 -62.17 -62.92 . . 0 "[ . 1 . 2]"
88 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 GLU N -73.00 -13.00 -39.42 -48.90 -30.57 . . 0 "[ . 1 . 2]"
89 . 1 50 VAL C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -97.00 -37.00 -64.68 -62.63 -63.79 . . 0 "[ . 1 . 2]"
90 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 GLU N -57.00 3.00 -35.25 -29.91 -30.75 . . 0 "[ . 1 . 2]"
91 . 1 51 GLU C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -119.00 -59.00 -76.79 -89.61 -63.33 . . 0 "[ . 1 . 2]"
92 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 GLY N -32.00 28.00 -29.20 -31.41 -32.02 0.94 7 0 "[ . 1 . 2]"
93 . 1 52 GLU C 1 53 GLY N 1 53 GLY CA 1 53 GLY C 30.00 110.00 103.68 107.47 103.98 1.48 3 0 "[ . 1 . 2]"
94 . 1 53 GLY N 1 53 GLY CA 1 53 GLY C 1 54 GLY N -10.00 70.00 -5.58 -12.00 44.84 2.00 5 0 "[ . 1 . 2]"
95 . 1 53 GLY C 1 54 GLY N 1 54 GLY CA 1 54 GLY C 170.00 -130.00 169.98 166.58 178.04 3.42 5 0 "[ . 1 . 2]"
96 . 1 54 GLY N 1 54 GLY CA 1 54 GLY C 1 55 TYR N 80.00 140.00 132.60 130.88 111.50 1.05 14 0 "[ . 1 . 2]"
97 . 1 54 GLY C 1 55 TYR N 1 55 TYR CA 1 55 TYR C -87.00 -27.00 -53.77 -66.17 -47.18 . . 0 "[ . 1 . 2]"
98 . 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 GLU N -75.00 -15.00 -52.66 -63.91 -44.09 . . 0 "[ . 1 . 2]"
99 . 1 55 TYR C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -92.00 -32.00 -56.29 -63.18 -49.46 . . 0 "[ . 1 . 2]"
100 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 ALA N -68.00 -8.00 -40.34 -33.05 -36.41 . . 0 "[ . 1 . 2]"
101 . 1 56 GLU C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -97.00 -37.00 -61.52 -67.05 -56.84 . . 0 "[ . 1 . 2]"
102 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 ILE N -71.00 -11.00 -47.89 -44.52 -46.97 . . 0 "[ . 1 . 2]"
103 . 1 57 ALA C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -92.00 -32.00 -63.24 -70.21 -58.64 . . 0 "[ . 1 . 2]"
104 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 CYS N -75.00 -15.00 -37.22 -44.86 -28.66 . . 0 "[ . 1 . 2]"
105 . 1 58 ILE C 1 59 CYS N 1 59 CYS CA 1 59 CYS C -91.00 -31.00 -69.13 -65.92 -66.61 . . 0 "[ . 1 . 2]"
106 . 1 59 CYS N 1 59 CYS CA 1 59 CYS C 1 60 LYS N -73.00 -13.00 -44.08 -42.24 -44.42 . . 0 "[ . 1 . 2]"
107 . 1 59 CYS C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -96.00 -36.00 -74.31 -72.03 -76.64 . . 0 "[ . 1 . 2]"
108 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 ASP N -59.00 1.00 -32.02 -53.44 -16.75 . . 0 "[ . 1 . 2]"
109 . 1 60 LYS C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -122.00 -62.00 -89.51 -93.32 -95.24 . . 0 "[ . 1 . 2]"
110 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 ARG N -59.00 1.00 -8.93 -1.76 -3.06 . . 0 "[ . 1 . 2]"
111 . 1 61 ASP C 1 62 ARG N 1 62 ARG CA 1 62 ARG C 62.00 122.00 62.61 60.11 68.78 1.89 6 0 "[ . 1 . 2]"
112 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 ARG N -19.00 41.00 33.08 38.37 35.40 0.14 20 0 "[ . 1 . 2]"
113 . 1 62 ARG C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -130.00 -70.00 -76.79 -82.56 -84.66 0.99 18 0 "[ . 1 . 2]"
114 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 TRP N -20.00 40.00 -1.53 -13.46 14.53 . . 0 "[ . 1 . 2]"
115 . 1 63 ARG C 1 64 TRP N 1 64 TRP CA 1 64 TRP C -90.00 -30.00 -57.80 -57.13 -57.99 . . 0 "[ . 1 . 2]"
116 . 1 64 TRP N 1 64 TRP CA 1 64 TRP C 1 65 ALA N -68.00 -8.00 -22.18 -34.37 -16.11 . . 0 "[ . 1 . 2]"
117 . 1 64 TRP C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -93.00 -33.00 -57.75 -58.72 -59.62 . . 0 "[ . 1 . 2]"
118 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 ARG N -67.00 -7.00 -52.16 -55.29 -60.70 . . 0 "[ . 1 . 2]"
119 . 1 65 ALA C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -96.00 -36.00 -67.41 -64.26 -64.29 . . 0 "[ . 1 . 2]"
120 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 VAL N -68.00 -8.00 -32.44 -30.31 -32.33 . . 0 "[ . 1 . 2]"
121 . 1 66 ARG C 1 67 VAL N 1 67 VAL CA 1 67 VAL C -92.00 -32.00 -65.34 -72.60 -60.68 . . 0 "[ . 1 . 2]"
122 . 1 67 VAL N 1 67 VAL CA 1 67 VAL C 1 68 ALA N -72.00 -12.00 -47.92 -49.24 -50.24 . . 0 "[ . 1 . 2]"
123 . 1 67 VAL C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -96.00 -36.00 -60.97 -66.26 -57.08 . . 0 "[ . 1 . 2]"
124 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 GLN N -62.00 -2.00 -42.47 -50.89 -32.91 . . 0 "[ . 1 . 2]"
125 . 1 68 ALA C 1 69 GLN N 1 69 GLN CA 1 69 GLN C -94.00 -34.00 -63.02 -66.09 -69.69 . . 0 "[ . 1 . 2]"
126 . 1 69 GLN N 1 69 GLN CA 1 69 GLN C 1 70 ARG N -73.00 -13.00 -35.05 -43.05 -18.13 . . 0 "[ . 1 . 2]"
127 . 1 69 GLN C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -97.00 -37.00 -66.61 -69.24 -73.80 . . 0 "[ . 1 . 2]"
128 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 LEU N -55.00 5.00 -37.34 -31.95 -31.99 . . 0 "[ . 1 . 2]"
129 . 1 70 ARG C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -101.00 -41.00 -80.83 -94.01 -71.70 . . 0 "[ . 1 . 2]"
130 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 ASN N -50.00 10.00 9.95 7.82 5.52 3.99 20 0 "[ . 1 . 2]"
131 . 1 71 LEU C 1 72 ASN N 1 72 ASN CA 1 72 ASN C 50.00 130.00 70.97 78.16 73.61 . . 0 "[ . 1 . 2]"
132 . 1 72 ASN N 1 72 ASN CA 1 72 ASN C 1 73 TYR N -50.00 30.00 21.40 3.07 32.08 2.08 11 0 "[ . 1 . 2]"
133 . 1 72 ASN C 1 73 TYR N 1 73 TYR CA 1 73 TYR C -134.00 -74.00 -76.98 -70.97 -72.07 3.03 2 0 "[ . 1 . 2]"
134 . 1 73 TYR N 1 73 TYR CA 1 73 TYR C 1 74 PRO N 131.00 -169.00 149.41 140.72 160.47 . . 0 "[ . 1 . 2]"
135 . 1 75 PRO C 1 76 GLY N 1 76 GLY CA 1 76 GLY C 60.00 120.00 106.60 110.02 106.07 2.30 13 0 "[ . 1 . 2]"
136 . 1 76 GLY N 1 76 GLY CA 1 76 GLY C 1 77 LYS N -40.00 20.00 -16.52 -40.85 21.39 1.39 20 0 "[ . 1 . 2]"
137 . 1 76 GLY C 1 77 LYS N 1 77 LYS CA 1 77 LYS C 50.00 130.00 62.43 58.96 49.94 1.85 1 0 "[ . 1 . 2]"
138 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 ASN N -50.00 30.00 7.21 -25.19 27.61 . . 0 "[ . 1 . 2]"
139 . 1 77 LYS C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -114.00 -54.00 -62.66 -66.36 -69.82 1.01 8 0 "[ . 1 . 2]"
140 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 ILE N -56.00 4.00 -36.37 -57.38 -17.70 1.38 8 0 "[ . 1 . 2]"
141 . 1 78 ASN C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -102.00 -42.00 -67.12 -68.59 -72.24 . . 0 "[ . 1 . 2]"
142 . 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 GLY N -58.00 2.00 -22.40 -31.33 -10.91 . . 0 "[ . 1 . 2]"
143 . 1 79 ILE C 1 80 GLY N 1 80 GLY CA 1 80 GLY C -97.00 -37.00 -58.68 -58.13 -58.60 . . 0 "[ . 1 . 2]"
144 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 SER N -63.00 -3.00 -40.08 -49.97 -31.65 . . 0 "[ . 1 . 2]"
145 . 1 80 GLY C 1 81 SER N 1 81 SER CA 1 81 SER C -94.00 -34.00 -66.13 -71.02 -61.69 . . 0 "[ . 1 . 2]"
146 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 LEU N -72.00 -12.00 -42.82 -39.23 -40.67 . . 0 "[ . 1 . 2]"
147 . 1 81 SER C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -95.00 -35.00 -57.21 -64.82 -52.46 . . 0 "[ . 1 . 2]"
148 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 LEU N -69.00 -9.00 -47.48 -48.08 -49.73 . . 0 "[ . 1 . 2]"
149 . 1 82 LEU C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -93.00 -33.00 -59.30 -57.98 -58.38 . . 0 "[ . 1 . 2]"
150 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 ARG N -73.00 -13.00 -52.52 -56.39 -48.43 . . 0 "[ . 1 . 2]"
151 . 1 83 LEU C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -92.00 -32.00 -58.85 -66.13 -53.54 . . 0 "[ . 1 . 2]"
152 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 SER N -73.00 -13.00 -44.16 -44.21 -49.63 . . 0 "[ . 1 . 2]"
153 . 1 84 ARG C 1 85 SER N 1 85 SER CA 1 85 SER C -90.00 -30.00 -61.01 -82.22 -56.72 . . 0 "[ . 1 . 2]"
154 . 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 HIS N -68.00 -8.00 -44.44 -58.25 -17.76 . . 0 "[ . 1 . 2]"
155 . 1 85 SER C 1 86 HIS N 1 86 HIS CA 1 86 HIS C -93.00 -33.00 -71.49 -72.19 -73.53 . . 0 "[ . 1 . 2]"
156 . 1 86 HIS N 1 86 HIS CA 1 86 HIS C 1 87 TYR N -72.00 -12.00 -32.20 -26.05 -27.74 . . 0 "[ . 1 . 2]"
157 . 1 86 HIS C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -91.00 -31.00 -60.33 -63.77 -64.04 . . 0 "[ . 1 . 2]"
158 . 1 87 TYR N 1 87 TYR CA 1 87 TYR C 1 88 GLU N -72.00 -12.00 -50.15 -57.94 -39.54 . . 0 "[ . 1 . 2]"
159 . 1 87 TYR C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -95.00 -35.00 -52.69 -56.67 -60.06 . . 0 "[ . 1 . 2]"
160 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ARG N -65.00 -5.00 -34.16 -43.84 -19.01 . . 0 "[ . 1 . 2]"
161 . 1 88 GLU C 1 89 ARG N 1 89 ARG CA 1 89 ARG C -117.00 -57.00 -99.09 -99.94 -104.09 0.12 7 0 "[ . 1 . 2]"
162 . 1 89 ARG N 1 89 ARG CA 1 89 ARG C 1 90 ILE N -61.00 -1.00 -34.38 -23.48 -27.44 . . 0 "[ . 1 . 2]"
163 . 1 89 ARG C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -123.00 -63.00 -106.04 -123.96 -82.19 0.96 7 0 "[ . 1 . 2]"
164 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 VAL N -56.00 4.00 -51.90 -50.61 -51.73 0.44 15 0 "[ . 1 . 2]"
165 . 1 90 ILE C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -130.00 -70.00 -92.36 -100.18 -86.61 . . 0 "[ . 1 . 2]"
166 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 TYR N -60.00 0.00 -14.44 -17.64 -19.80 . . 0 "[ . 1 . 2]"
167 . 1 91 VAL C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -89.00 -29.00 -59.71 -59.61 -60.20 . . 0 "[ . 1 . 2]"
168 . 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 PRO N -71.00 -11.00 -44.51 -50.65 -39.02 . . 0 "[ . 1 . 2]"
169 . 1 93 PRO N 1 93 PRO CA 1 93 PRO C 1 94 TYR N -67.00 -7.00 -31.13 -25.88 -28.71 . . 0 "[ . 1 . 2]"
170 . 1 93 PRO C 1 94 TYR N 1 94 TYR CA 1 94 TYR C -93.00 -33.00 -73.84 -70.15 -71.42 . . 0 "[ . 1 . 2]"
171 . 1 94 TYR N 1 94 TYR CA 1 94 TYR C 1 95 GLU N -70.00 -10.00 -26.09 -25.43 -26.20 . . 0 "[ . 1 . 2]"
172 . 1 94 TYR C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -89.00 -29.00 -59.17 -59.06 -60.16 . . 0 "[ . 1 . 2]"
173 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 MET N -69.00 -9.00 -55.12 -63.24 -45.44 . . 0 "[ . 1 . 2]"
174 . 1 95 GLU C 1 96 MET N 1 96 MET CA 1 96 MET C -94.00 -34.00 -59.30 -55.53 -58.40 . . 0 "[ . 1 . 2]"
175 . 1 96 MET N 1 96 MET CA 1 96 MET C 1 97 TYR N -68.00 -8.00 -39.11 -57.07 -29.13 . . 0 "[ . 1 . 2]"
176 . 1 96 MET C 1 97 TYR N 1 97 TYR CA 1 97 TYR C -97.00 -37.00 -65.00 -69.98 -53.46 . . 0 "[ . 1 . 2]"
177 . 1 97 TYR N 1 97 TYR CA 1 97 TYR C 1 98 GLN N -70.00 -10.00 -63.34 -70.63 -51.24 0.63 4 0 "[ . 1 . 2]"
178 . 1 97 TYR C 1 98 GLN N 1 98 GLN CA 1 98 GLN C -102.00 -42.00 -63.61 -71.70 -54.71 . . 0 "[ . 1 . 2]"
179 . 1 98 GLN N 1 98 GLN CA 1 98 GLN C 1 99 SER N -56.00 4.00 -51.22 -48.49 -50.66 1.48 1 0 "[ . 1 . 2]"
180 . 1 98 GLN C 1 99 SER N 1 99 SER CA 1 99 SER C -122.00 -62.00 -65.13 -72.97 -61.32 0.68 15 0 "[ . 1 . 2]"
181 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 GLY N -42.00 18.00 -40.05 -34.78 -37.20 1.65 5 0 "[ . 1 . 2]"
182 . 1 99 SER C 1 100 GLY N 1 100 GLY CA 1 100 GLY C -122.00 -62.00 -62.80 -62.21 -63.47 1.31 7 0 "[ . 1 . 2]"
183 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C 1 101 ALA N -42.00 18.00 -30.45 -42.14 -23.40 0.14 9 0 "[ . 1 . 2]"
184 . 1 100 GLY C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -118.00 -58.00 -77.88 -67.02 -72.81 . . 0 "[ . 1 . 2]"
185 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 ASN N -64.00 -4.00 -41.55 -46.58 -47.54 . . 0 "[ . 1 . 2]"
186 . 1 101 ALA C 1 102 ASN N 1 102 ASN CA 1 102 ASN C -100.00 -40.00 -90.95 -81.79 -85.13 0.36 18 0 "[ . 1 . 2]"
187 . 1 102 ASN N 1 102 ASN CA 1 102 ASN C 1 103 LEU N -60.00 0.00 -61.31 -63.55 -57.45 3.55 2 0 "[ . 1 . 2]"
188 . 1 102 ASN C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -180.00 -120.00 -168.93 -179.29 -147.69 . . 0 "[ . 1 . 2]"
189 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 VAL N 120.00 180.00 125.93 118.70 142.59 1.30 11 0 "[ . 1 . 2]"
190 . 1 103 LEU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -150.00 -90.00 -114.30 -150.50 -88.17 1.83 1 0 "[ . 1 . 2]"
191 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 CYS N 80.00 140.00 110.58 111.99 109.38 . . 0 "[ . 1 . 2]"
192 . 1 104 VAL C 1 105 CYS N 1 105 CYS CA 1 105 CYS C -130.00 -70.00 -122.12 -131.87 -93.06 1.87 5 0 "[ . 1 . 2]"
193 . 1 105 CYS N 1 105 CYS CA 1 105 CYS C 1 106 ASN N -27.00 33.00 -8.78 -27.21 -28.30 1.44 5 0 "[ . 1 . 2]"
194 . 1 105 CYS C 1 106 ASN N 1 106 ASN CA 1 106 ASN C -90.00 -30.00 -86.56 -86.56 -88.29 2.29 17 0 "[ . 1 . 2]"
195 . 1 106 ASN N 1 106 ASN CA 1 106 ASN C 1 107 THR N -40.00 20.00 -1.98 -39.99 21.95 1.95 7 0 "[ . 1 . 2]"
196 . 1 106 ASN C 1 107 THR N 1 107 THR CA 1 107 THR C -110.00 -50.00 -63.28 -84.66 -50.74 . . 0 "[ . 1 . 2]"
197 . 1 107 THR N 1 107 THR CA 1 107 THR C 1 108 ARG N -40.00 20.00 -29.98 -41.50 19.53 1.50 10 0 "[ . 1 . 2]"
198 . 1 107 THR C 1 108 ARG N 1 108 ARG CA 1 108 ARG C -101.00 -41.00 -83.36 -87.42 -91.43 0.24 19 0 "[ . 1 . 2]"
199 . 1 108 ARG N 1 108 ARG CA 1 108 ARG C 1 109 PRO N -82.00 -22.00 -51.44 -58.13 -63.11 . . 0 "[ . 1 . 2]"
200 . 1 109 PRO C 1 110 PHE N 1 110 PHE CA 1 110 PHE C -84.00 -24.00 -49.15 -47.51 -47.90 . . 0 "[ . 1 . 2]"
201 . 1 110 PHE N 1 110 PHE CA 1 110 PHE C 1 111 ASP N -73.00 -13.00 -55.15 -73.14 -40.61 0.14 3 0 "[ . 1 . 2]"
202 . 1 110 PHE C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -99.00 -19.00 -63.19 -72.57 -56.33 . . 0 "[ . 1 . 2]"
203 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 ASN N -79.00 1.00 -36.97 -60.98 -25.49 . . 0 "[ . 1 . 2]"
204 . 1 111 ASP C 1 112 ASN N 1 112 ASN CA 1 112 ASN C -99.00 -19.00 -66.51 -77.79 -78.70 . . 0 "[ . 1 . 2]"
205 . 1 112 ASN N 1 112 ASN CA 1 112 ASN C 1 113 GLU N -79.00 1.00 -35.89 -61.08 -8.45 . . 0 "[ . 1 . 2]"
206 . 1 112 ASN C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -99.00 -19.00 -79.07 -99.22 -60.23 0.22 3 0 "[ . 1 . 2]"
207 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 GLU N -79.00 1.00 -40.90 -57.99 -8.79 . . 0 "[ . 1 . 2]"
208 . 1 113 GLU C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -99.00 -19.00 -62.66 -59.35 -61.57 . . 0 "[ . 1 . 2]"
209 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 LYS N -79.00 1.00 -39.26 -52.27 -27.52 . . 0 "[ . 1 . 2]"
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