NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652650 |
6nzl   |
30571 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6nzl
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 143
_TA_constraint_stats_list.Viol_count 476
_TA_constraint_stats_list.Viol_total 18611.88
_TA_constraint_stats_list.Viol_max 5.61
_TA_constraint_stats_list.Viol_rms 0.93
_TA_constraint_stats_list.Viol_average_all_restraints 0.33
_TA_constraint_stats_list.Viol_average_violations_only 1.96
_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 ASP N 1 2 ASP CA 1 2 ASP C -87.30 -46.00 -78.83 -89.06 -57.10 1.76 16 0 "[ . 1 . 2]"
2 . 1 2 ASP N 1 2 ASP CA 1 2 ASP C 1 3 ALA N 116.40 169.00 156.05 130.26 172.79 3.79 13 0 "[ . 1 . 2]"
3 . 1 6 THR C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -161.20 -91.50 -134.70 -139.17 -143.08 . . 0 "[ . 1 . 2]"
4 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 LEU N 115.70 173.90 157.42 162.48 160.59 . . 0 "[ . 1 . 2]"
5 . 1 7 ALA C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -96.10 -56.10 -73.37 -82.67 -58.02 . . 0 "[ . 1 . 2]"
6 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 CYS N 116.90 157.10 152.81 135.79 159.15 2.05 19 0 "[ . 1 . 2]"
7 . 1 8 LEU C 1 9 CYS N 1 9 CYS CA 1 9 CYS C -100.40 -38.60 -81.76 -84.91 -86.38 . . 0 "[ . 1 . 2]"
8 . 1 9 CYS N 1 9 CYS CA 1 9 CYS C 1 10 ASP N 113.60 163.40 119.16 116.32 114.54 2.33 18 0 "[ . 1 . 2]"
9 . 1 9 CYS C 1 10 ASP N 1 10 ASP CA 1 10 ASP C -79.10 -39.10 -63.57 -70.44 -56.29 . . 0 "[ . 1 . 2]"
10 . 1 10 ASP N 1 10 ASP CA 1 10 ASP C 1 11 ALA N -56.60 -16.60 -39.42 -37.16 -38.66 . . 0 "[ . 1 . 2]"
11 . 1 10 ASP C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -84.90 -44.90 -63.84 -72.02 -56.76 . . 0 "[ . 1 . 2]"
12 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 TYR N -60.30 -20.30 -32.02 -26.57 -28.85 . . 0 "[ . 1 . 2]"
13 . 1 11 ALA C 1 12 TYR N 1 12 TYR CA 1 12 TYR C -85.80 -45.80 -74.16 -86.99 -64.38 1.19 12 0 "[ . 1 . 2]"
14 . 1 12 TYR N 1 12 TYR CA 1 12 TYR C 1 13 LYS N -62.40 -22.40 -38.88 -34.24 -35.80 0.12 18 0 "[ . 1 . 2]"
15 . 1 12 TYR C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -84.50 -44.50 -77.66 -86.31 -62.71 1.81 12 0 "[ . 1 . 2]"
16 . 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 ARG N -57.30 -17.30 -34.32 -40.50 -45.05 . . 0 "[ . 1 . 2]"
17 . 1 13 LYS C 1 14 ARG N 1 14 ARG CA 1 14 ARG C -90.50 -50.50 -87.95 -93.39 -66.80 2.89 7 0 "[ . 1 . 2]"
18 . 1 14 ARG N 1 14 ARG CA 1 14 ARG C 1 15 SER N -49.00 -9.00 -47.45 -52.27 -28.72 3.27 11 0 "[ . 1 . 2]"
19 . 1 14 ARG C 1 15 SER N 1 15 SER CA 1 15 SER C -111.60 -66.20 -105.55 -113.69 -87.44 2.09 3 0 "[ . 1 . 2]"
20 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 GLN N -35.70 4.30 -10.40 -9.08 -12.62 0.87 7 0 "[ . 1 . 2]"
21 . 1 17 ALA C 1 18 CYS N 1 18 CYS CA 1 18 CYS C -119.60 -38.00 -94.03 -93.12 -99.33 1.49 6 0 "[ . 1 . 2]"
22 . 1 18 CYS N 1 18 CYS CA 1 18 CYS C 1 19 SER N 127.50 172.50 128.72 140.12 132.25 2.49 4 0 "[ . 1 . 2]"
23 . 1 18 CYS C 1 19 SER N 1 19 SER CA 1 19 SER C -83.10 -43.10 -67.25 -74.84 -57.02 . . 0 "[ . 1 . 2]"
24 . 1 19 SER N 1 19 SER CA 1 19 SER C 1 20 TYR N -53.50 -13.50 -33.01 -50.20 -19.08 . . 0 "[ . 1 . 2]"
25 . 1 19 SER C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -92.90 -50.20 -75.40 -83.79 -92.78 . . 0 "[ . 1 . 2]"
26 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 GLY N -61.10 0.50 -31.71 -44.56 -18.61 . . 0 "[ . 1 . 2]"
27 . 1 21 GLY C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -87.50 -47.50 -75.49 -80.44 -65.29 . . 0 "[ . 1 . 2]"
28 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 GLN N -44.30 -4.10 -19.76 -32.38 -7.46 . . 0 "[ . 1 . 2]"
29 . 1 22 ASP C 1 23 GLN N 1 23 GLN CA 1 23 GLN C -114.70 -74.50 -83.84 -84.77 -87.94 . . 0 "[ . 1 . 2]"
30 . 1 23 GLN N 1 23 GLN CA 1 23 GLN C 1 24 CYS N -20.80 19.20 2.27 -14.90 19.50 0.30 14 0 "[ . 1 . 2]"
31 . 1 23 GLN C 1 24 CYS N 1 24 CYS CA 1 24 CYS C -85.80 -45.80 -73.11 -67.72 -68.45 . . 0 "[ . 1 . 2]"
32 . 1 24 CYS N 1 24 CYS CA 1 24 CYS C 1 25 ARG N 119.10 159.10 127.77 130.45 128.11 1.85 8 0 "[ . 1 . 2]"
33 . 1 25 ARG C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -132.20 -66.60 -113.16 -133.43 -79.74 1.23 16 0 "[ . 1 . 2]"
34 . 1 26 PHE N 1 26 PHE CA 1 26 PHE C 1 27 ALA N 103.00 158.60 153.96 140.83 161.44 2.84 8 0 "[ . 1 . 2]"
35 . 1 26 PHE C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -127.60 -48.30 -75.00 -75.08 -76.17 . . 0 "[ . 1 . 2]"
36 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 HIS N 111.10 151.10 136.76 136.40 134.68 . . 0 "[ . 1 . 2]"
37 . 1 27 ALA C 1 28 HIS N 1 28 HIS CA 1 28 HIS C -127.10 -56.20 -100.44 -98.88 -100.49 . . 0 "[ . 1 . 2]"
38 . 1 28 HIS N 1 28 HIS CA 1 28 HIS C 1 29 GLY N 30.20 164.40 39.01 27.94 85.53 2.26 2 0 "[ . 1 . 2]"
39 . 1 29 GLY C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -82.80 -42.30 -68.40 -69.50 -70.08 . . 0 "[ . 1 . 2]"
40 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 HIS N -52.00 -12.00 -26.51 -22.36 -23.13 . . 0 "[ . 1 . 2]"
41 . 1 30 VAL C 1 31 HIS N 1 31 HIS CA 1 31 HIS C -88.70 -48.70 -68.22 -66.96 -68.05 . . 0 "[ . 1 . 2]"
42 . 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 GLU N -41.70 -1.70 -31.68 -39.65 -23.63 . . 0 "[ . 1 . 2]"
43 . 1 31 HIS C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -114.20 -74.20 -86.61 -107.74 -75.42 . . 0 "[ . 1 . 2]"
44 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 LEU N -24.10 16.50 -14.34 -22.09 -24.41 0.91 14 0 "[ . 1 . 2]"
45 . 1 32 GLU C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -89.30 -49.30 -70.51 -72.31 -74.72 . . 0 "[ . 1 . 2]"
46 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 ARG N 114.70 154.70 114.54 110.06 129.63 4.64 2 0 "[ . 1 . 2]"
47 . 1 49 THR C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -141.30 -79.40 -95.85 -94.92 -96.14 0.56 12 0 "[ . 1 . 2]"
48 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 LEU N 105.30 157.00 146.97 134.50 157.32 0.32 15 0 "[ . 1 . 2]"
49 . 1 50 VAL C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -92.30 -52.30 -71.63 -80.39 -61.99 . . 0 "[ . 1 . 2]"
50 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 CYS N 119.70 159.70 152.97 135.82 160.60 0.90 18 0 "[ . 1 . 2]"
51 . 1 51 LEU C 1 52 CYS N 1 52 CYS CA 1 52 CYS C -106.20 -33.50 -79.34 -77.31 -81.03 . . 0 "[ . 1 . 2]"
52 . 1 52 CYS N 1 52 CYS CA 1 52 CYS C 1 53 ASP N 116.80 164.60 114.63 113.65 113.32 5.33 6 1 "[ .+ 1 . 2]"
53 . 1 52 CYS C 1 53 ASP N 1 53 ASP CA 1 53 ASP C -79.40 -39.40 -64.83 -67.99 -70.50 . . 0 "[ . 1 . 2]"
54 . 1 53 ASP N 1 53 ASP CA 1 53 ASP C 1 54 LYS N -55.50 -15.50 -45.27 -37.12 -37.75 . . 0 "[ . 1 . 2]"
55 . 1 53 ASP C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -84.70 -44.70 -63.34 -72.43 -55.15 . . 0 "[ . 1 . 2]"
56 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 PHE N -57.30 -17.30 -41.52 -50.57 -29.72 . . 0 "[ . 1 . 2]"
57 . 1 54 LYS C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -87.50 -47.50 -71.37 -79.50 -67.06 . . 0 "[ . 1 . 2]"
58 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 SER N -64.30 -24.30 -28.81 -23.25 -23.73 2.71 14 0 "[ . 1 . 2]"
59 . 1 55 PHE C 1 56 SER N 1 56 SER CA 1 56 SER C -86.00 -46.00 -81.94 -84.68 -85.17 2.63 7 0 "[ . 1 . 2]"
60 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 MET N -51.80 -11.80 -38.25 -51.73 -28.33 . . 0 "[ . 1 . 2]"
61 . 1 56 SER C 1 57 MET N 1 57 MET CA 1 57 MET C -108.00 -68.00 -83.74 -98.11 -71.45 . . 0 "[ . 1 . 2]"
62 . 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 THR N -52.00 -12.00 -50.66 -53.59 -54.05 2.33 10 0 "[ . 1 . 2]"
63 . 1 57 MET C 1 58 THR N 1 58 THR CA 1 58 THR C -138.30 -98.30 -97.62 -97.62 -98.18 3.04 7 0 "[ . 1 . 2]"
64 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 GLY N -41.90 -1.90 -22.15 -43.51 -0.78 1.61 3 0 "[ . 1 . 2]"
65 . 1 59 GLY C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -163.90 -66.60 -133.35 -137.62 -137.68 . . 0 "[ . 1 . 2]"
66 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 CYS N 126.90 -179.80 142.32 125.64 163.95 1.26 13 0 "[ . 1 . 2]"
67 . 1 60 ASN C 1 61 CYS N 1 61 CYS CA 1 61 CYS C -121.20 -42.20 -114.38 -119.12 -120.45 1.64 8 0 "[ . 1 . 2]"
68 . 1 61 CYS N 1 61 CYS CA 1 61 CYS C 1 62 LYS N 123.40 173.80 123.39 127.41 125.16 3.79 7 0 "[ . 1 . 2]"
69 . 1 61 CYS C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -81.50 -41.50 -69.56 -64.11 -66.00 . . 0 "[ . 1 . 2]"
70 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 TYR N -55.40 -15.40 -26.28 -52.24 -15.79 . . 0 "[ . 1 . 2]"
71 . 1 62 LYS C 1 63 TYR N 1 63 TYR CA 1 63 TYR C -89.00 -49.00 -74.51 -86.73 -65.99 . . 0 "[ . 1 . 2]"
72 . 1 63 TYR N 1 63 TYR CA 1 63 TYR C 1 64 GLY N -57.20 -13.30 -33.52 -34.21 -35.97 . . 0 "[ . 1 . 2]"
73 . 1 64 GLY C 1 65 THR N 1 65 THR CA 1 65 THR C -90.40 -50.40 -74.84 -72.96 -73.69 . . 0 "[ . 1 . 2]"
74 . 1 65 THR N 1 65 THR CA 1 65 THR C 1 66 ARG N -41.60 -1.60 -19.03 -22.80 -24.31 . . 0 "[ . 1 . 2]"
75 . 1 65 THR C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -113.90 -73.90 -83.78 -98.23 -72.94 0.96 1 0 "[ . 1 . 2]"
76 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 CYS N -27.60 12.40 -3.42 -12.38 -15.78 0.11 6 0 "[ . 1 . 2]"
77 . 1 66 ARG C 1 67 CYS N 1 67 CYS CA 1 67 CYS C -87.90 -47.90 -73.62 -85.42 -61.11 . . 0 "[ . 1 . 2]"
78 . 1 67 CYS N 1 67 CYS CA 1 67 CYS C 1 68 GLN N 118.60 158.60 129.02 127.80 126.91 1.38 19 0 "[ . 1 . 2]"
79 . 1 68 GLN C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -128.70 -73.70 -104.78 -113.17 -116.85 0.83 15 0 "[ . 1 . 2]"
80 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 ILE N 104.50 147.70 149.67 148.02 147.17 3.75 15 0 "[ . 1 . 2]"
81 . 1 70 ILE C 1 71 HIS N 1 71 HIS CA 1 71 HIS C -115.70 -67.20 -86.78 -104.27 -73.37 . . 0 "[ . 1 . 2]"
82 . 1 71 HIS N 1 71 HIS CA 1 71 HIS C 1 72 LYS N 95.60 146.90 95.83 94.65 94.28 4.34 7 0 "[ . 1 . 2]"
83 . 1 71 HIS C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -117.40 -72.80 -106.50 -97.75 -105.39 3.80 19 0 "[ . 1 . 2]"
84 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 ILE N 96.40 153.10 126.87 129.85 125.68 . . 0 "[ . 1 . 2]"
85 . 1 72 LYS C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -121.50 -68.00 -71.53 -72.47 -75.58 2.62 16 0 "[ . 1 . 2]"
86 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 VAL N 98.90 139.00 112.72 94.71 136.37 4.19 2 0 "[ . 1 . 2]"
87 . 1 73 ILE C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -116.10 -44.90 -72.31 -118.67 -54.42 2.57 2 0 "[ . 1 . 2]"
88 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ASP N 110.30 159.20 118.70 109.35 134.24 0.95 2 0 "[ . 1 . 2]"
89 . 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 160.00 -150.00 178.16 171.20 -173.37 . . 0 "[ . 1 . 2]"
90 . 1 18 CYS N 1 18 CYS CA 1 18 CYS CB 1 18 CYS SG 160.00 -150.00 178.16 171.20 -173.37 . . 0 "[ . 1 . 2]"
91 . 1 52 CYS N 1 52 CYS CA 1 52 CYS CB 1 52 CYS SG 160.00 -150.00 -170.43 176.90 -163.88 . . 0 "[ . 1 . 2]"
92 . 1 52 CYS N 1 52 CYS CA 1 52 CYS CB 1 52 CYS SG 166.50 -165.10 -170.43 176.90 -163.88 1.22 1 0 "[ . 1 . 2]"
93 . 1 52 CYS N 1 52 CYS CA 1 52 CYS CB 1 52 CYS SG 160.00 -150.00 -170.43 176.90 -163.88 . . 0 "[ . 1 . 2]"
94 . 1 6 THR N 1 6 THR CA 1 6 THR CB 1 6 THR OG1 34.10 73.70 53.60 49.27 59.75 . . 0 "[ . 1 . 2]"
95 . 1 9 CYS N 1 9 CYS CA 1 9 CYS CB 1 9 CYS SG 165.40 -167.00 178.82 172.11 -171.59 . . 0 "[ . 1 . 2]"
96 . 1 22 ASP N 1 22 ASP CA 1 22 ASP CB 1 22 ASP CG -92.30 -55.90 -64.05 -64.44 -65.44 . . 0 "[ . 1 . 2]"
97 . 1 23 GLN N 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG -77.90 -42.30 -59.94 -64.41 -53.72 . . 0 "[ . 1 . 2]"
98 . 1 26 PHE N 1 26 PHE CA 1 26 PHE CB 1 26 PHE CG -81.60 -44.00 -67.70 -77.87 -58.84 . . 0 "[ . 1 . 2]"
99 . 1 50 VAL N 1 50 VAL CA 1 50 VAL CB 1 50 VAL CG1 174.60 -168.60 -177.26 -176.55 -177.47 1.50 15 0 "[ . 1 . 2]"
100 . 1 55 PHE N 1 55 PHE CA 1 55 PHE CB 1 55 PHE CG 166.60 -167.40 -167.82 -168.50 -169.79 2.83 10 0 "[ . 1 . 2]"
101 . 1 57 MET N 1 57 MET CA 1 57 MET CB 1 57 MET CG -83.40 -44.60 -65.13 -63.39 -64.70 . . 0 "[ . 1 . 2]"
102 . 1 58 THR N 1 58 THR CA 1 58 THR CB 1 58 THR OG1 49.80 71.80 64.72 66.68 65.06 0.83 10 0 "[ . 1 . 2]"
103 . 1 60 ASN N 1 60 ASN CA 1 60 ASN CB 1 60 ASN CG -83.50 -46.30 -64.41 -67.09 -68.87 . . 0 "[ . 1 . 2]"
104 . 1 66 ARG N 1 66 ARG CA 1 66 ARG CB 1 66 ARG CG -78.40 -46.40 -58.86 -59.16 -59.76 . . 0 "[ . 1 . 2]"
105 . 1 70 ILE N 1 70 ILE CA 1 70 ILE CB 1 70 ILE CG1 -71.00 -41.00 -52.00 -51.00 -53.94 . . 0 "[ . 1 . 2]"
106 . 1 73 ILE N 1 73 ILE CA 1 73 ILE CB 1 73 ILE CG1 -79.90 -43.10 -57.57 -56.76 -57.54 . . 0 "[ . 1 . 2]"
107 . 1 74 VAL N 1 74 VAL CA 1 74 VAL CB 1 74 VAL CG1 170.60 -160.60 -178.14 178.99 -174.62 . . 0 "[ . 1 . 2]"
108 . 1 3 ALA C 1 4 PHE N 1 4 PHE CA 1 4 PHE C -175.00 -30.00 -110.37 -156.53 -67.29 . . 0 "[ . 1 . 2]"
109 . 1 4 PHE N 1 4 PHE CA 1 4 PHE C 1 5 LYS N 75.00 180.00 119.83 83.11 147.38 . . 0 "[ . 1 . 2]"
110 . 1 16 GLN C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -175.00 -30.00 -95.85 -170.59 -68.41 . . 0 "[ . 1 . 2]"
111 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 CYS N 75.00 180.00 116.36 94.96 144.50 . . 0 "[ . 1 . 2]"
112 . 1 33 LEU C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -175.00 -30.00 -103.79 -119.79 -123.35 . . 0 "[ . 1 . 2]"
113 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 LEU N 75.00 180.00 120.96 84.77 81.04 0.80 18 0 "[ . 1 . 2]"
114 . 1 34 ARG C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -175.00 -30.00 -74.71 -61.17 -64.62 . . 0 "[ . 1 . 2]"
115 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 PRO N 75.00 180.00 150.41 131.57 162.31 . . 0 "[ . 1 . 2]"
116 . 1 37 MET C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -175.00 -30.00 -95.74 -74.57 -78.61 . . 0 "[ . 1 . 2]"
117 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 PRO N 75.00 180.00 140.91 147.80 140.79 . . 0 "[ . 1 . 2]"
118 . 1 43 ASN C 1 44 HIS N 1 44 HIS CA 1 44 HIS C -175.00 -30.00 -105.32 -171.88 -65.93 . . 0 "[ . 1 . 2]"
119 . 1 44 HIS N 1 44 HIS CA 1 44 HIS C 1 45 PRO N 75.00 180.00 134.01 85.32 160.96 . . 0 "[ . 1 . 2]"
120 . 1 69 PHE C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -175.00 -30.00 -64.57 -65.62 -67.15 . . 0 "[ . 1 . 2]"
121 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 HIS N 75.00 180.00 120.89 120.08 118.09 . . 0 "[ . 1 . 2]"
122 . 1 5 LYS C 1 6 THR N 1 6 THR CA 1 6 THR C -135.00 15.00 -81.84 -80.68 -82.63 . . 0 "[ . 1 . 2]"
123 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 ALA N -75.00 30.00 -14.35 -34.32 0.47 . . 0 "[ . 1 . 2]"
124 . 1 24 CYS C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -135.00 15.00 -81.43 -101.82 -64.64 . . 0 "[ . 1 . 2]"
125 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 PHE N -75.00 30.00 -4.52 3.82 -2.77 . . 0 "[ . 1 . 2]"
126 . 1 46 LYS C 1 47 TYR N 1 47 TYR CA 1 47 TYR C -135.00 15.00 -75.05 -135.79 -55.69 0.79 10 0 "[ . 1 . 2]"
127 . 1 47 TYR N 1 47 TYR CA 1 47 TYR C 1 48 LYS N -75.00 30.00 -44.85 -66.34 -23.23 . . 0 "[ . 1 . 2]"
128 . 1 48 LYS C 1 49 THR N 1 49 THR CA 1 49 THR C -135.00 15.00 -115.61 -96.88 -102.91 1.35 12 0 "[ . 1 . 2]"
129 . 1 49 THR N 1 49 THR CA 1 49 THR C 1 50 VAL N -75.00 30.00 -38.50 -71.50 -3.15 . . 0 "[ . 1 . 2]"
130 . 1 67 CYS C 1 68 GLN N 1 68 GLN CA 1 68 GLN C -135.00 15.00 -85.67 -116.08 -69.72 . . 0 "[ . 1 . 2]"
131 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 PHE N -75.00 30.00 -7.18 5.00 3.80 . . 0 "[ . 1 . 2]"
132 . 1 52 CYS SG 1 61 CYS SG 1 67 CYS SG 1 71 HIS NE2 68.50 72.50 75.39 70.46 77.25 4.75 16 0 "[ . 1 . 2]"
133 . 1 52 CYS SG 1 61 CYS SG 1 67 CYS SG 1 71 HIS NE2 68.50 72.50 75.39 70.46 77.25 4.75 16 0 "[ . 1 . 2]"
134 . 1 52 CYS SG 1 61 CYS SG 1 67 CYS SG 1 71 HIS NE2 68.50 72.50 75.39 70.46 77.25 4.75 16 0 "[ . 1 . 2]"
135 . 1 52 CYS SG 1 61 CYS SG 1 67 CYS SG 1 71 HIS NE2 68.50 72.50 75.39 70.46 77.25 4.75 16 0 "[ . 1 . 2]"
136 . 1 9 CYS SG 1 18 CYS SG 1 24 CYS SG 1 28 HIS NE2 68.50 72.50 75.04 74.72 73.15 5.61 18 2 "[ - . 1 . + 2]"
137 . 1 9 CYS SG 1 18 CYS SG 1 24 CYS SG 1 28 HIS NE2 68.50 72.50 75.04 74.72 73.15 5.61 18 2 "[ - . 1 . + 2]"
138 . 1 9 CYS SG 1 18 CYS SG 1 24 CYS SG 1 28 HIS NE2 68.50 72.50 75.04 74.72 73.15 5.61 18 2 "[ - . 1 . + 2]"
139 . 1 9 CYS SG 1 18 CYS SG 1 24 CYS SG 1 28 HIS NE2 68.50 72.50 75.04 74.72 73.15 5.61 18 2 "[ - . 1 . + 2]"
140 . 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 1 28 HIS ND1 170.00 -170.00 174.53 169.16 -169.86 0.84 9 0 "[ . 1 . 2]"
141 . 1 71 HIS CA 1 71 HIS CB 1 71 HIS CG 1 71 HIS ND1 170.00 -170.00 178.07 -174.33 -176.90 0.56 17 0 "[ . 1 . 2]"
142 . 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG -70.00 -50.00 -66.56 -66.41 -67.52 0.35 20 0 "[ . 1 . 2]"
143 . 1 71 HIS N 1 71 HIS CA 1 71 HIS CB 1 71 HIS CG -70.00 -50.00 -69.39 -70.94 -65.13 0.94 10 0 "[ . 1 . 2]"
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