NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431679 |
2jqi   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jqi
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 197
_TA_constraint_stats_list.Viol_count 1523
_TA_constraint_stats_list.Viol_total 14878.03
_TA_constraint_stats_list.Viol_max 2.47
_TA_constraint_stats_list.Viol_rms 0.37
_TA_constraint_stats_list.Viol_average_all_restraints 0.19
_TA_constraint_stats_list.Viol_average_violations_only 0.49
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 2 THR C 1 3 GLN N 1 3 GLN CA 1 3 GLN C -72.00 -60.00 -67.88 -69.45 -70.88 0.21 5 0 "[ . 1 . 2]"
2 . 1 3 GLN N 1 3 GLN CA 1 3 GLN C 1 4 ARG N -47.00 -25.00 -44.21 -47.31 -33.32 0.31 16 0 "[ . 1 . 2]"
3 . 1 3 GLN C 1 4 ARG N 1 4 ARG CA 1 4 ARG C -71.00 -59.00 -60.66 -68.94 -58.92 0.08 9 0 "[ . 1 . 2]"
4 . 1 4 ARG N 1 4 ARG CA 1 4 ARG C 1 5 PHE N -52.00 -36.00 -38.37 -38.88 -39.08 0.11 16 0 "[ . 1 . 2]"
5 . 1 4 ARG C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -69.00 -57.00 -60.86 -65.60 -59.16 . . 0 "[ . 1 . 2]"
6 . 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 LEU N -51.00 -35.00 -39.14 -35.45 -36.95 . . 0 "[ . 1 . 2]"
7 . 1 5 PHE C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -68.00 -58.00 -62.80 -67.35 -57.95 0.05 16 0 "[ . 1 . 2]"
8 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 ILE N -46.00 -32.00 -38.09 -45.24 -31.83 0.17 5 0 "[ . 1 . 2]"
9 . 1 6 LEU C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -73.00 -55.00 -70.50 -71.92 -72.38 0.19 11 0 "[ . 1 . 2]"
10 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 GLU N -48.00 -36.00 -36.53 -35.38 -35.44 1.12 13 0 "[ . 1 . 2]"
11 . 1 7 ILE C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -70.00 -58.00 -57.72 -57.28 -57.38 0.95 19 0 "[ . 1 . 2]"
12 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 LYS N -46.00 -34.00 -40.46 -43.35 -45.34 0.44 6 0 "[ . 1 . 2]"
13 . 1 8 GLU C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -67.00 -55.00 -66.26 -67.34 -56.07 0.34 10 0 "[ . 1 . 2]"
14 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 PHE N -46.00 -24.00 -26.12 -23.74 -23.77 1.12 16 0 "[ . 1 . 2]"
15 . 1 9 LYS C 1 10 PHE N 1 10 PHE CA 1 10 PHE C -71.00 -57.00 -58.17 -71.90 -56.51 0.90 6 0 "[ . 1 . 2]"
16 . 1 10 PHE N 1 10 PHE CA 1 10 PHE C 1 11 SER N -47.00 -33.00 -47.50 -47.48 -47.52 0.76 17 0 "[ . 1 . 2]"
17 . 1 10 PHE C 1 11 SER N 1 11 SER CA 1 11 SER C -81.00 -55.00 -73.11 -72.23 -75.43 0.12 10 0 "[ . 1 . 2]"
18 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 GLN N -47.00 -21.00 -36.64 -47.13 -22.64 0.13 16 0 "[ . 1 . 2]"
19 . 1 12 GLN C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -101.00 -63.00 -83.22 -83.80 -90.59 0.13 17 0 "[ . 1 . 2]"
20 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 GLN N 121.00 159.00 137.02 120.95 157.99 0.05 18 0 "[ . 1 . 2]"
21 . 1 13 GLU C 1 14 GLN N 1 14 GLN CA 1 14 GLN C -111.00 -65.00 -81.76 -107.80 -64.93 0.07 6 0 "[ . 1 . 2]"
22 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 ILE N 102.00 142.00 114.24 111.78 107.70 0.14 5 0 "[ . 1 . 2]"
23 . 1 14 GLN C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -110.00 -82.00 -82.73 -83.62 -86.99 0.67 12 0 "[ . 1 . 2]"
24 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 GLY N 108.00 136.00 138.10 136.61 138.47 2.47 1 0 "[ . 1 . 2]"
25 . 1 16 GLY C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -89.00 -51.00 -74.13 -89.09 -59.82 0.09 14 0 "[ . 1 . 2]"
26 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ASN N -48.00 -24.00 -38.18 -40.28 -43.42 0.45 15 0 "[ . 1 . 2]"
27 . 1 18 ASN C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -96.00 -72.00 -76.05 -76.03 -76.40 . . 0 "[ . 1 . 2]"
28 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 VAL N 89.00 145.00 131.31 95.31 136.86 . . 0 "[ . 1 . 2]"
29 . 1 20 VAL C 1 21 CYS N 1 21 CYS CA 1 21 CYS C -163.00 -123.00 -147.55 -155.19 -141.64 . . 0 "[ . 1 . 2]"
30 . 1 21 CYS N 1 21 CYS CA 1 21 CYS C 1 22 ARG N 131.00 165.00 154.18 138.03 165.46 0.46 13 0 "[ . 1 . 2]"
31 . 1 21 CYS C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -146.00 -114.00 -119.33 -117.97 -122.70 0.16 11 0 "[ . 1 . 2]"
32 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 VAL N 116.00 138.00 133.42 125.72 122.79 0.45 3 0 "[ . 1 . 2]"
33 . 1 22 ARG C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -127.00 -89.00 -99.51 -110.85 -88.77 0.23 6 0 "[ . 1 . 2]"
34 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ILE N 123.00 137.00 123.23 122.90 122.86 0.37 8 0 "[ . 1 . 2]"
35 . 1 23 VAL C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -133.00 -97.00 -126.61 -124.71 -125.71 . . 0 "[ . 1 . 2]"
36 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 CYS N 111.00 135.00 120.75 111.38 128.23 . . 0 "[ . 1 . 2]"
37 . 1 24 ILE C 1 25 CYS N 1 25 CYS CA 1 25 CYS C -126.00 -80.00 -84.36 -95.33 -79.85 0.15 14 0 "[ . 1 . 2]"
38 . 1 25 CYS N 1 25 CYS CA 1 25 CYS C 1 26 THR N 100.00 142.00 112.97 99.94 142.07 0.07 10 0 "[ . 1 . 2]"
39 . 1 26 THR C 1 27 THR N 1 27 THR CA 1 27 THR C -102.00 -80.00 -80.20 -85.09 -79.74 0.26 17 0 "[ . 1 . 2]"
40 . 1 27 THR N 1 27 THR CA 1 27 THR C 1 28 GLY N -2.00 16.00 -2.42 -2.99 -2.07 0.99 3 0 "[ . 1 . 2]"
41 . 1 29 GLN C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -134.00 -96.00 -121.17 -134.16 -109.12 0.16 2 0 "[ . 1 . 2]"
42 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 PRO N 125.00 169.00 141.92 142.49 142.08 . . 0 "[ . 1 . 2]"
43 . 1 30 ILE C 1 31 PRO N 1 31 PRO CA 1 31 PRO C -107.00 -61.00 -72.58 -76.76 -68.89 . . 0 "[ . 1 . 2]"
44 . 1 31 PRO N 1 31 PRO CA 1 31 PRO C 1 32 ILE N 114.00 146.00 141.64 143.87 141.58 0.16 10 0 "[ . 1 . 2]"
45 . 1 32 ILE C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -151.00 -115.00 -134.92 -150.93 -118.00 . . 0 "[ . 1 . 2]"
46 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 ASP N 130.00 164.00 162.80 158.18 164.44 0.44 7 0 "[ . 1 . 2]"
47 . 1 33 ARG C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -132.00 -84.00 -119.88 -119.84 -120.33 . . 0 "[ . 1 . 2]"
48 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 LEU N 120.00 150.00 120.24 119.89 119.83 0.45 17 0 "[ . 1 . 2]"
49 . 1 34 ASP C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -101.00 -73.00 -94.05 -101.10 -78.91 0.10 15 0 "[ . 1 . 2]"
50 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 SER N 111.00 137.00 133.64 131.53 130.45 0.76 3 0 "[ . 1 . 2]"
51 . 1 36 SER C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -157.00 -91.00 -145.31 -154.99 -137.66 . . 0 "[ . 1 . 2]"
52 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ASP N 142.00 166.00 145.84 141.74 165.84 0.26 20 0 "[ . 1 . 2]"
53 . 1 37 ALA C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -109.00 -75.00 -79.95 -86.20 -74.70 0.30 5 0 "[ . 1 . 2]"
54 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 ILE N 97.00 153.00 130.73 133.95 128.67 . . 0 "[ . 1 . 2]"
55 . 1 38 ASP C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -64.00 -54.00 -64.39 -64.19 -64.27 1.35 11 0 "[ . 1 . 2]"
56 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 SER N -45.00 -29.00 -43.41 -42.65 -43.21 0.49 15 0 "[ . 1 . 2]"
57 . 1 39 ILE C 1 40 SER N 1 40 SER CA 1 40 SER C -67.00 -57.00 -58.17 -57.45 -59.10 1.05 12 0 "[ . 1 . 2]"
58 . 1 40 SER N 1 40 SER CA 1 40 SER C 1 41 GLN N -42.00 -36.00 -39.93 -43.28 -36.52 1.28 11 0 "[ . 1 . 2]"
59 . 1 40 SER C 1 41 GLN N 1 41 GLN CA 1 41 GLN C -68.00 -64.00 -68.50 -68.68 -68.35 0.68 2 0 "[ . 1 . 2]"
60 . 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 VAL N -47.00 -37.00 -37.32 -40.87 -36.79 0.21 11 0 "[ . 1 . 2]"
61 . 1 41 GLN C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -73.00 -59.00 -69.02 -72.02 -73.02 0.10 4 0 "[ . 1 . 2]"
62 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 LEU N -50.00 -38.00 -43.17 -50.08 -37.85 0.15 18 0 "[ . 1 . 2]"
63 . 1 42 VAL C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -71.00 -57.00 -69.24 -71.10 -57.49 0.10 8 0 "[ . 1 . 2]"
64 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 LYS N -42.00 -18.00 -30.60 -32.85 -35.28 . . 0 "[ . 1 . 2]"
65 . 1 44 LYS C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -109.00 -63.00 -75.02 -83.23 -89.93 0.18 2 0 "[ . 1 . 2]"
66 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 LYS N 99.00 137.00 121.37 98.99 137.07 0.07 9 0 "[ . 1 . 2]"
67 . 1 50 LYS C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -155.00 -99.00 -145.72 -155.20 -121.68 0.20 12 0 "[ . 1 . 2]"
68 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 VAL N 108.00 156.00 132.15 124.35 121.19 . . 0 "[ . 1 . 2]"
69 . 1 51 LYS C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -136.00 -102.00 -126.56 -136.34 -107.53 0.34 8 0 "[ . 1 . 2]"
70 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 TRP N 111.00 139.00 139.07 134.66 140.08 1.08 1 0 "[ . 1 . 2]"
71 . 1 52 VAL C 1 53 TRP N 1 53 TRP CA 1 53 TRP C -123.00 -101.00 -102.53 -109.94 -100.59 0.41 16 0 "[ . 1 . 2]"
72 . 1 53 TRP N 1 53 TRP CA 1 53 TRP C 1 54 THR N 123.00 139.00 139.24 137.67 140.07 1.07 12 0 "[ . 1 . 2]"
73 . 1 53 TRP C 1 54 THR N 1 54 THR CA 1 54 THR C -131.00 -103.00 -112.32 -115.58 -108.19 . . 0 "[ . 1 . 2]"
74 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 PHE N 117.00 141.00 128.85 125.30 132.19 . . 0 "[ . 1 . 2]"
75 . 1 54 THR C 1 55 PHE N 1 55 PHE CA 1 55 PHE C -120.00 -96.00 -116.56 -115.25 -118.35 0.31 12 0 "[ . 1 . 2]"
76 . 1 55 PHE N 1 55 PHE CA 1 55 PHE C 1 56 GLY N 121.00 145.00 145.47 145.22 145.78 0.78 3 0 "[ . 1 . 2]"
77 . 1 57 ARG C 1 58 ASN N 1 58 ASN CA 1 58 ASN C -141.00 -85.00 -86.10 -111.43 -84.51 0.49 14 0 "[ . 1 . 2]"
78 . 1 58 ASN N 1 58 ASN CA 1 58 ASN C 1 59 PRO N 107.00 157.00 132.96 127.01 137.18 . . 0 "[ . 1 . 2]"
79 . 1 59 PRO C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -82.00 -54.00 -82.83 -83.23 -82.60 1.23 8 0 "[ . 1 . 2]"
80 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 CYS N -49.00 -23.00 -43.42 -42.63 -42.73 . . 0 "[ . 1 . 2]"
81 . 1 61 CYS C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -78.00 -58.00 -56.40 -56.54 -56.59 1.94 10 0 "[ . 1 . 2]"
82 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 TYR N -40.00 -20.00 -18.69 -19.24 -18.09 1.91 1 0 "[ . 1 . 2]"
83 . 1 62 ASP C 1 63 TYR N 1 63 TYR CA 1 63 TYR C -129.00 -73.00 -129.42 -128.48 -128.88 1.54 14 0 "[ . 1 . 2]"
84 . 1 63 TYR N 1 63 TYR CA 1 63 TYR C 1 64 HIS N 89.00 141.00 122.18 112.22 131.65 . . 0 "[ . 1 . 2]"
85 . 1 63 TYR C 1 64 HIS N 1 64 HIS CA 1 64 HIS C -130.00 -86.00 -98.51 -94.03 -97.93 . . 0 "[ . 1 . 2]"
86 . 1 64 HIS N 1 64 HIS CA 1 64 HIS C 1 65 LEU N 108.00 164.00 116.42 116.28 113.09 0.12 13 0 "[ . 1 . 2]"
87 . 1 67 ASN C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -112.00 -68.00 -94.91 -112.03 -75.06 0.03 9 0 "[ . 1 . 2]"
88 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 SER N 112.00 156.00 127.91 127.31 126.66 . . 0 "[ . 1 . 2]"
89 . 1 68 ILE C 1 69 SER N 1 69 SER CA 1 69 SER C -65.00 -55.00 -56.17 -64.34 -54.72 0.28 17 0 "[ . 1 . 2]"
90 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 ARG N -45.00 -25.00 -31.38 -25.02 -28.63 0.09 10 0 "[ . 1 . 2]"
91 . 1 69 SER C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -81.00 -61.00 -70.54 -81.03 -60.91 0.09 5 0 "[ . 1 . 2]"
92 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 LEU N -49.00 -15.00 -36.60 -49.26 -17.37 0.26 18 0 "[ . 1 . 2]"
93 . 1 70 ARG C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -107.00 -73.00 -87.71 -72.84 -72.92 0.30 2 0 "[ . 1 . 2]"
94 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 SER N 90.00 152.00 151.53 150.73 150.26 1.31 6 0 "[ . 1 . 2]"
95 . 1 76 PHE C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -135.00 -103.00 -135.88 -136.19 -135.29 1.19 13 0 "[ . 1 . 2]"
96 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 ILE N 122.00 160.00 142.16 133.99 155.71 . . 0 "[ . 1 . 2]"
97 . 1 77 GLN C 1 78 ILE N 1 78 ILE CA 1 78 ILE C -141.00 -109.00 -116.92 -118.15 -119.31 . . 0 "[ . 1 . 2]"
98 . 1 78 ILE N 1 78 ILE CA 1 78 ILE C 1 79 LEU N 118.00 132.00 129.30 129.69 128.67 0.44 10 0 "[ . 1 . 2]"
99 . 1 78 ILE C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -130.00 -100.00 -114.76 -128.66 -105.51 . . 0 "[ . 1 . 2]"
100 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 LEU N 128.00 156.00 145.41 140.21 137.30 . . 0 "[ . 1 . 2]"
101 . 1 79 LEU C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -125.00 -93.00 -123.34 -125.25 -110.94 0.25 14 0 "[ . 1 . 2]"
102 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 GLY N 123.00 147.00 125.18 122.68 131.94 0.32 8 0 "[ . 1 . 2]"
103 . 1 85 ASN C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -135.00 -107.00 -116.02 -135.02 -106.92 0.08 15 0 "[ . 1 . 2]"
104 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 LEU N 126.00 160.00 155.12 143.81 160.13 0.13 6 0 "[ . 1 . 2]"
105 . 1 86 LEU C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -133.00 -119.00 -131.21 -133.07 -133.13 0.18 9 0 "[ . 1 . 2]"
106 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LEU N 123.00 147.00 144.51 140.38 147.34 0.34 4 0 "[ . 1 . 2]"
107 . 1 87 LEU C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -133.00 -113.00 -112.87 -115.79 -112.51 0.49 13 0 "[ . 1 . 2]"
108 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 ASN N 119.00 143.00 125.01 121.55 131.79 . . 0 "[ . 1 . 2]"
109 . 1 88 LEU C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -135.00 -103.00 -116.61 -119.76 -112.24 . . 0 "[ . 1 . 2]"
110 . 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 ASP N 116.00 138.00 115.88 115.63 115.63 0.58 16 0 "[ . 1 . 2]"
111 . 1 89 ASN C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -128.00 -72.00 -78.46 -79.89 -80.44 . . 0 "[ . 1 . 2]"
112 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 ILE N 119.00 143.00 137.16 134.66 132.60 0.21 10 0 "[ . 1 . 2]"
113 . 1 92 SER C 1 93 THR N 1 93 THR CA 1 93 THR C -68.00 -56.00 -68.92 -69.68 -68.58 1.68 11 0 "[ . 1 . 2]"
114 . 1 93 THR N 1 93 THR CA 1 93 THR C 1 94 ASN N -52.00 -32.00 -34.74 -49.17 -31.34 0.66 5 0 "[ . 1 . 2]"
115 . 1 93 THR C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -98.00 -70.00 -97.99 -98.49 -98.57 0.73 19 0 "[ . 1 . 2]"
116 . 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 GLY N -19.00 3.00 -18.77 -20.10 3.04 1.10 18 0 "[ . 1 . 2]"
117 . 1 95 GLY C 1 96 THR N 1 96 THR CA 1 96 THR C -117.00 -89.00 -117.52 -117.82 -117.19 0.82 11 0 "[ . 1 . 2]"
118 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 TRP N 123.00 137.00 137.85 137.67 137.99 0.99 1 0 "[ . 1 . 2]"
119 . 1 96 THR C 1 97 TRP N 1 97 TRP CA 1 97 TRP C -133.00 -99.00 -115.03 -118.51 -110.31 . . 0 "[ . 1 . 2]"
120 . 1 97 TRP N 1 97 TRP CA 1 97 TRP C 1 98 LEU N 132.00 148.00 148.46 148.38 148.38 0.80 11 0 "[ . 1 . 2]"
121 . 1 97 TRP C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -124.00 -98.00 -124.19 -124.23 -124.28 0.76 6 0 "[ . 1 . 2]"
122 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 ASN N 115.00 131.00 113.51 113.35 113.65 1.65 7 0 "[ . 1 . 2]"
123 . 1 100 GLY C 1 101 GLN N 1 101 GLN CA 1 101 GLN C -124.00 -92.00 -105.08 -105.69 -106.30 . . 0 "[ . 1 . 2]"
124 . 1 101 GLN N 1 101 GLN CA 1 101 GLN C 1 102 LYS N 120.00 146.00 118.57 118.47 118.83 1.53 5 0 "[ . 1 . 2]"
125 . 1 103 VAL C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -102.00 -70.00 -69.89 -70.00 -69.77 0.23 6 0 "[ . 1 . 2]"
126 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 LYS N 113.00 143.00 126.05 126.67 126.40 . . 0 "[ . 1 . 2]"
127 . 1 106 ASN C 1 107 SER N 1 107 SER CA 1 107 SER C -111.00 -77.00 -112.31 -112.11 -112.20 1.64 17 0 "[ . 1 . 2]"
128 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 ASN N 105.00 145.00 144.62 137.20 145.23 0.23 6 0 "[ . 1 . 2]"
129 . 1 108 ASN C 1 109 GLN N 1 109 GLN CA 1 109 GLN C -129.00 -91.00 -129.28 -129.54 -129.07 0.54 19 0 "[ . 1 . 2]"
130 . 1 109 GLN N 1 109 GLN CA 1 109 GLN C 1 110 LEU N 118.00 152.00 148.20 145.69 152.07 0.07 14 0 "[ . 1 . 2]"
131 . 1 109 GLN C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -95.00 -73.00 -72.95 -77.28 -72.47 0.53 14 0 "[ . 1 . 2]"
132 . 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 LEU N 112.00 136.00 124.90 136.13 136.04 0.13 2 0 "[ . 1 . 2]"
133 . 1 111 LEU C 1 112 SER N 1 112 SER CA 1 112 SER C -124.00 -76.00 -124.78 -125.44 -124.26 1.44 2 0 "[ . 1 . 2]"
134 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 GLN N 122.00 152.00 153.20 153.24 153.18 1.60 6 0 "[ . 1 . 2]"
135 . 1 112 SER C 1 113 GLN N 1 113 GLN CA 1 113 GLN C -115.00 -73.00 -71.61 -71.57 -71.61 1.78 5 0 "[ . 1 . 2]"
136 . 1 113 GLN N 1 113 GLN CA 1 113 GLN C 1 114 GLY N 114.00 140.00 121.02 114.00 125.26 . . 0 "[ . 1 . 2]"
137 . 1 115 ASP C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -145.00 -127.00 -144.81 -145.31 -139.83 0.31 8 0 "[ . 1 . 2]"
138 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 ILE N 136.00 158.00 135.57 135.45 135.80 0.55 10 0 "[ . 1 . 2]"
139 . 1 116 GLU C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -130.00 -102.00 -113.05 -111.33 -112.64 . . 0 "[ . 1 . 2]"
140 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 THR N 114.00 128.00 126.93 123.21 128.27 0.27 11 0 "[ . 1 . 2]"
141 . 1 117 ILE C 1 118 THR N 1 118 THR CA 1 118 THR C -121.00 -105.00 -104.47 -104.87 -104.03 0.97 11 0 "[ . 1 . 2]"
142 . 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 VAL N 127.00 149.00 140.42 137.66 142.75 . . 0 "[ . 1 . 2]"
143 . 1 118 THR C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -140.00 -108.00 -140.32 -140.54 -140.13 0.54 14 0 "[ . 1 . 2]"
144 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 GLY N 132.00 158.00 158.52 158.64 158.58 0.78 4 0 "[ . 1 . 2]"
145 . 1 120 GLY C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -95.00 -61.00 -80.08 -85.41 -69.91 . . 0 "[ . 1 . 2]"
146 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 GLY N 120.00 140.00 140.42 140.39 140.37 0.52 14 0 "[ . 1 . 2]"
147 . 1 122 GLY C 1 123 VAL N 1 123 VAL CA 1 123 VAL C -126.00 -74.00 -126.41 -126.55 -126.16 0.55 14 0 "[ . 1 . 2]"
148 . 1 123 VAL N 1 123 VAL CA 1 123 VAL C 1 124 GLU N 119.00 167.00 122.74 118.55 131.99 0.45 16 0 "[ . 1 . 2]"
149 . 1 123 VAL C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -65.00 -51.00 -50.39 -50.32 -50.36 0.86 11 0 "[ . 1 . 2]"
150 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 SER N -47.00 -25.00 -29.84 -32.54 -35.42 0.14 8 0 "[ . 1 . 2]"
151 . 1 124 GLU C 1 125 SER N 1 125 SER CA 1 125 SER C -93.00 -67.00 -93.47 -93.64 -93.26 0.64 2 0 "[ . 1 . 2]"
152 . 1 125 SER N 1 125 SER CA 1 125 SER C 1 126 ASP N -32.00 6.00 6.50 6.31 6.73 0.73 16 0 "[ . 1 . 2]"
153 . 1 126 ASP C 1 127 ILE N 1 127 ILE CA 1 127 ILE C -107.00 -67.00 -107.04 -107.47 -106.32 0.47 2 0 "[ . 1 . 2]"
154 . 1 127 ILE N 1 127 ILE CA 1 127 ILE C 1 128 LEU N 104.00 138.00 139.07 138.23 139.65 1.65 12 0 "[ . 1 . 2]"
155 . 1 127 ILE C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -124.00 -96.00 -123.72 -125.19 -120.41 1.19 2 0 "[ . 1 . 2]"
156 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 SER N 120.00 134.00 134.51 134.72 134.65 0.81 7 0 "[ . 1 . 2]"
157 . 1 128 LEU C 1 129 SER N 1 129 SER CA 1 129 SER C -130.00 -104.00 -109.69 -106.54 -108.41 . . 0 "[ . 1 . 2]"
158 . 1 129 SER N 1 129 SER CA 1 129 SER C 1 130 LEU N 126.00 150.00 143.28 128.18 150.64 0.64 12 0 "[ . 1 . 2]"
159 . 1 129 SER C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -135.00 -113.00 -131.46 -125.06 -129.73 1.36 7 0 "[ . 1 . 2]"
160 . 1 130 LEU N 1 130 LEU CA 1 130 LEU C 1 131 VAL N 126.00 158.00 147.26 152.51 152.40 0.13 19 0 "[ . 1 . 2]"
161 . 1 130 LEU C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -131.00 -111.00 -117.48 -126.52 -110.72 0.28 15 0 "[ . 1 . 2]"
162 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 ILE N 122.00 140.00 137.56 130.53 140.25 0.25 7 0 "[ . 1 . 2]"
163 . 1 131 VAL C 1 132 ILE N 1 132 ILE CA 1 132 ILE C -137.00 -107.00 -106.22 -106.31 -106.32 1.36 19 0 "[ . 1 . 2]"
164 . 1 132 ILE N 1 132 ILE CA 1 132 ILE C 1 133 PHE N 121.00 139.00 125.38 121.74 121.13 0.20 19 0 "[ . 1 . 2]"
165 . 1 132 ILE C 1 133 PHE N 1 133 PHE CA 1 133 PHE C -125.00 -93.00 -110.96 -120.86 -104.37 . . 0 "[ . 1 . 2]"
166 . 1 133 PHE N 1 133 PHE CA 1 133 PHE C 1 134 ILE N 104.00 142.00 118.16 116.85 115.10 0.20 6 0 "[ . 1 . 2]"
167 . 1 133 PHE C 1 134 ILE N 1 134 ILE CA 1 134 ILE C -119.00 -85.00 -87.78 -84.79 -84.82 0.41 20 0 "[ . 1 . 2]"
168 . 1 134 ILE N 1 134 ILE CA 1 134 ILE C 1 135 ASN N 112.00 134.00 132.04 133.71 132.76 0.13 14 0 "[ . 1 . 2]"
169 . 1 134 ILE C 1 135 ASN N 1 135 ASN CA 1 135 ASN C -122.00 -76.00 -80.85 -85.47 -75.85 0.15 7 0 "[ . 1 . 2]"
170 . 1 135 ASN N 1 135 ASN CA 1 135 ASN C 1 136 ASP N 99.00 157.00 120.00 123.37 119.17 . . 0 "[ . 1 . 2]"
171 . 1 135 ASN C 1 136 ASP N 1 136 ASP CA 1 136 ASP C -74.00 -56.00 -67.05 -74.03 -58.38 0.03 18 0 "[ . 1 . 2]"
172 . 1 136 ASP N 1 136 ASP CA 1 136 ASP C 1 137 LYS N -44.00 -18.00 -26.46 -26.00 -26.91 0.03 20 0 "[ . 1 . 2]"
173 . 1 136 ASP C 1 137 LYS N 1 137 LYS CA 1 137 LYS C -67.00 -57.00 -59.06 -58.89 -59.12 . . 0 "[ . 1 . 2]"
174 . 1 137 LYS N 1 137 LYS CA 1 137 LYS C 1 138 PHE N -46.00 -34.00 -45.29 -45.24 -45.64 0.09 12 0 "[ . 1 . 2]"
175 . 1 137 LYS C 1 138 PHE N 1 138 PHE CA 1 138 PHE C -67.00 -57.00 -58.52 -58.00 -58.11 . . 0 "[ . 1 . 2]"
176 . 1 138 PHE N 1 138 PHE CA 1 138 PHE C 1 139 LYS N -44.00 -36.00 -42.65 -40.99 -41.79 0.20 13 0 "[ . 1 . 2]"
177 . 1 138 PHE C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -65.00 -55.00 -63.97 -64.93 -65.00 0.25 13 0 "[ . 1 . 2]"
178 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 GLN N -50.00 -34.00 -38.86 -39.40 -41.20 0.14 5 0 "[ . 1 . 2]"
179 . 1 139 LYS C 1 140 GLN N 1 140 GLN CA 1 140 GLN C -69.00 -59.00 -61.44 -68.22 -58.94 0.06 17 0 "[ . 1 . 2]"
180 . 1 140 GLN N 1 140 GLN CA 1 140 GLN C 1 141 CYS N -47.00 -37.00 -44.27 -47.30 -36.94 0.30 14 0 "[ . 1 . 2]"
181 . 1 140 GLN C 1 141 CYS N 1 141 CYS CA 1 141 CYS C -68.00 -58.00 -64.75 -68.21 -58.93 0.21 14 0 "[ . 1 . 2]"
182 . 1 141 CYS N 1 141 CYS CA 1 141 CYS C 1 142 LEU N -46.00 -38.00 -45.14 -43.19 -44.06 0.15 12 0 "[ . 1 . 2]"
183 . 1 141 CYS C 1 142 LEU N 1 142 LEU CA 1 142 LEU C -69.00 -55.00 -64.48 -69.09 -56.59 0.09 16 0 "[ . 1 . 2]"
184 . 1 142 LEU N 1 142 LEU CA 1 142 LEU C 1 143 GLU N -50.00 -36.00 -39.04 -36.96 -39.10 0.24 9 0 "[ . 1 . 2]"
185 . 1 142 LEU C 1 143 GLU N 1 143 GLU CA 1 143 GLU C -70.00 -54.00 -61.66 -69.93 -58.46 . . 0 "[ . 1 . 2]"
186 . 1 143 GLU N 1 143 GLU CA 1 143 GLU C 1 144 GLN N -48.00 -34.00 -39.99 -48.07 -34.12 0.07 16 0 "[ . 1 . 2]"
187 . 1 143 GLU C 1 144 GLN N 1 144 GLN CA 1 144 GLN C -92.00 -60.00 -83.70 -92.00 -68.21 . . 0 "[ . 1 . 2]"
188 . 1 144 GLN N 1 144 GLN CA 1 144 GLN C 1 145 ASN N -37.00 -15.00 -33.54 -37.07 -23.73 0.07 20 0 "[ . 1 . 2]"
189 . 1 145 ASN C 1 146 LYS N 1 146 LYS CA 1 146 LYS C -125.00 -57.00 -96.12 -69.66 -73.07 0.03 8 0 "[ . 1 . 2]"
190 . 1 146 LYS N 1 146 LYS CA 1 146 LYS C 1 147 VAL N 114.00 162.00 142.58 150.14 147.20 . . 0 "[ . 1 . 2]"
191 . 1 146 LYS C 1 147 VAL N 1 147 VAL CA 1 147 VAL C -103.00 -65.00 -86.83 -90.22 -95.34 0.05 9 0 "[ . 1 . 2]"
192 . 1 147 VAL N 1 147 VAL CA 1 147 VAL C 1 148 ASP N 117.00 141.00 131.67 117.51 141.02 0.02 12 0 "[ . 1 . 2]"
193 . 1 149 ARG C 1 150 ILE N 1 150 ILE CA 1 150 ILE C -105.00 -77.00 -93.27 -103.57 -79.23 . . 0 "[ . 1 . 2]"
194 . 1 150 ILE N 1 150 ILE CA 1 150 ILE C 1 151 ARG N 110.00 140.00 128.80 112.15 140.04 0.04 12 0 "[ . 1 . 2]"
195 . 2 2 ILE N 2 2 ILE CA 2 2 ILE CB 2 2 ILE CG1 150.00 -150.00 -175.28 175.67 -164.58 . . 0 "[ . 1 . 2]"
196 . 2 6 THR N 2 6 THR CA 2 6 THR CB 2 6 THR OG1 -90.00 -30.00 -41.85 -62.93 -30.02 . . 0 "[ . 1 . 2]"
197 . 2 10 THR N 2 10 THR CA 2 10 THR CB 2 10 THR OG1 -90.00 -30.00 -44.54 -33.55 -37.50 . . 0 "[ . 1 . 2]"
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