NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
543732 |
2lrh   |
18372 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lrh
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 224
_TA_constraint_stats_list.Viol_count 308
_TA_constraint_stats_list.Viol_total 10673.76
_TA_constraint_stats_list.Viol_max 7.00
_TA_constraint_stats_list.Viol_rms 0.54
_TA_constraint_stats_list.Viol_average_all_restraints 0.12
_TA_constraint_stats_list.Viol_average_violations_only 1.73
_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 MET C 1 2 LYS N 1 2 LYS CA 1 2 LYS C 176.40 -45.30 -123.12 -120.17 -126.94 . . 0 "[ . 1 . 2]"
2 . 1 2 LYS N 1 2 LYS CA 1 2 LYS C 1 3 GLU N 93.00 178.50 129.97 102.14 158.70 . . 0 "[ . 1 . 2]"
3 . 1 2 LYS C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -168.10 -67.00 -103.40 -99.53 -109.27 . . 0 "[ . 1 . 2]"
4 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 LEU N 113.70 179.00 136.67 108.90 161.04 4.80 2 0 "[ . 1 . 2]"
5 . 1 3 GLU C 1 4 LEU N 1 4 LEU CA 1 4 LEU C -165.10 -83.40 -119.63 -110.76 -116.84 . . 0 "[ . 1 . 2]"
6 . 1 4 LEU N 1 4 LEU CA 1 4 LEU C 1 5 ILE N 113.70 163.30 113.60 109.39 130.45 4.31 2 0 "[ . 1 . 2]"
7 . 1 4 LEU C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -133.30 -93.30 -105.85 -108.43 -110.36 . . 0 "[ . 1 . 2]"
8 . 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 LEU N 105.50 145.50 123.69 115.32 137.46 . . 0 "[ . 1 . 2]"
9 . 1 5 ILE C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -138.30 -87.10 -106.68 -116.37 -101.63 . . 0 "[ . 1 . 2]"
10 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 ILE N 112.00 158.60 122.46 121.75 121.36 . . 0 "[ . 1 . 2]"
11 . 1 6 LEU C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -143.80 -100.60 -101.18 -97.71 -98.72 2.89 2 0 "[ . 1 . 2]"
12 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 ASN N 114.80 154.80 133.11 136.05 135.48 . . 0 "[ . 1 . 2]"
13 . 1 7 ILE C 1 8 ASN N 1 8 ASN CA 1 8 ASN C -149.60 -98.20 -112.93 -115.37 -116.05 1.99 16 0 "[ . 1 . 2]"
14 . 1 8 ASN N 1 8 ASN CA 1 8 ASN C 1 9 THR N 110.10 153.50 116.11 118.61 116.65 3.28 7 0 "[ . 1 . 2]"
15 . 1 8 ASN C 1 9 THR N 1 9 THR CA 1 9 THR C -143.20 -73.60 -144.47 -146.96 -147.66 5.17 8 1 "[ . + 1 . 2]"
16 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 ASN N 96.30 160.20 128.22 139.76 137.29 . . 0 "[ . 1 . 2]"
17 . 1 11 ASN C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -78.30 -38.30 -57.25 -69.29 -44.51 . . 0 "[ . 1 . 2]"
18 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 GLU N -57.80 -17.80 -42.55 -47.30 -48.57 . . 0 "[ . 1 . 2]"
19 . 1 12 ASP C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -83.80 -43.80 -64.28 -72.70 -57.82 . . 0 "[ . 1 . 2]"
20 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 LEU N -59.40 -19.40 -38.84 -32.92 -35.71 . . 0 "[ . 1 . 2]"
21 . 1 13 GLU C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -82.90 -42.90 -67.54 -65.26 -66.45 . . 0 "[ . 1 . 2]"
22 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ILE N -64.90 -24.90 -39.12 -39.35 -41.33 . . 0 "[ . 1 . 2]"
23 . 1 14 LEU C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -81.80 -41.80 -53.01 -50.83 -51.20 . . 0 "[ . 1 . 2]"
24 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 LYS N -67.20 -27.20 -46.19 -51.45 -40.00 . . 0 "[ . 1 . 2]"
25 . 1 15 ILE C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -78.80 -38.80 -61.24 -67.61 -67.99 . . 0 "[ . 1 . 2]"
26 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 LYS N -60.60 -20.60 -44.14 -36.05 -38.19 . . 0 "[ . 1 . 2]"
27 . 1 16 LYS C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -82.40 -42.40 -65.49 -72.72 -58.11 . . 0 "[ . 1 . 2]"
28 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 ILE N -62.70 -22.70 -40.56 -46.77 -31.41 . . 0 "[ . 1 . 2]"
29 . 1 17 LYS C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -84.10 -44.10 -61.42 -62.12 -62.76 . . 0 "[ . 1 . 2]"
30 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 LYS N -66.40 -26.40 -47.83 -46.72 -48.38 . . 0 "[ . 1 . 2]"
31 . 1 18 ILE C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -79.20 -39.20 -52.93 -58.21 -49.59 . . 0 "[ . 1 . 2]"
32 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 LYS N -60.60 -20.60 -45.66 -56.18 -33.30 . . 0 "[ . 1 . 2]"
33 . 1 19 LYS C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -82.80 -42.80 -65.05 -71.77 -54.84 . . 0 "[ . 1 . 2]"
34 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 GLU N -57.90 -17.90 -40.12 -44.26 -46.37 . . 0 "[ . 1 . 2]"
35 . 1 20 LYS C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -101.90 -31.50 -60.57 -53.25 -56.92 . . 0 "[ . 1 . 2]"
36 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 VAL N -58.10 -14.90 -45.61 -58.58 -37.52 0.48 20 0 "[ . 1 . 2]"
37 . 1 21 GLU C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -89.90 -49.90 -69.53 -76.78 -58.91 . . 0 "[ . 1 . 2]"
38 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 GLU N -65.80 2.30 -31.84 -30.77 -31.36 . . 0 "[ . 1 . 2]"
39 . 1 22 VAL C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -83.50 -43.50 -69.18 -62.04 -65.03 . . 0 "[ . 1 . 2]"
40 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 ASN N -62.40 -22.40 -34.77 -49.15 -21.33 1.07 10 0 "[ . 1 . 2]"
41 . 1 23 GLU C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -87.90 -47.90 -70.88 -83.92 -61.55 . . 0 "[ . 1 . 2]"
42 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 GLN N -51.90 -11.90 -28.28 -26.70 -29.02 . . 0 "[ . 1 . 2]"
43 . 1 24 ASN C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -118.20 -69.40 -85.28 -83.70 -84.34 . . 0 "[ . 1 . 2]"
44 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 GLY N -28.50 33.80 -19.91 -19.92 -21.11 0.62 7 0 "[ . 1 . 2]"
45 . 1 26 GLY C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -140.60 -52.50 -94.77 -111.66 -73.28 . . 0 "[ . 1 . 2]"
46 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 GLN N 58.90 -161.10 161.16 165.68 163.25 . . 0 "[ . 1 . 2]"
47 . 1 27 TYR C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -177.20 -77.10 -84.87 -89.23 -91.17 0.24 20 0 "[ . 1 . 2]"
48 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 VAL N 114.10 177.60 117.41 114.67 114.10 3.86 4 0 "[ . 1 . 2]"
49 . 1 28 GLN C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -152.40 -57.60 -88.75 -121.26 -70.40 . . 0 "[ . 1 . 2]"
50 . 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 ARG N 99.90 145.40 115.78 99.82 136.42 0.08 18 0 "[ . 1 . 2]"
51 . 1 29 VAL C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -132.30 -76.20 -119.30 -127.14 -131.68 0.92 7 0 "[ . 1 . 2]"
52 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 ASP N 110.20 161.30 120.41 132.88 129.71 5.36 12 1 "[ . 1 + . 2]"
53 . 1 30 ARG C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -126.70 -56.20 -105.09 -130.57 -86.40 3.87 6 0 "[ . 1 . 2]"
54 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 VAL N 118.20 164.10 126.29 113.35 151.31 4.85 10 0 "[ . 1 . 2]"
55 . 1 31 ASP C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -161.10 -57.60 -107.17 -101.98 -109.24 . . 0 "[ . 1 . 2]"
56 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 ASN N 123.10 163.10 121.56 122.21 121.43 5.09 17 1 "[ . 1 . + 2]"
57 . 1 33 ASN C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -170.50 -30.50 -145.68 -161.96 -119.93 . . 0 "[ . 1 . 2]"
58 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 SER N 144.60 -173.30 151.84 150.07 148.56 1.20 9 0 "[ . 1 . 2]"
59 . 1 34 ASP C 1 35 SER N 1 35 SER CA 1 35 SER C -81.60 -41.60 -66.00 -66.10 -67.16 . . 0 "[ . 1 . 2]"
60 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 ASP N -57.50 -9.60 -25.58 -22.59 -24.23 . . 0 "[ . 1 . 2]"
61 . 1 35 SER C 1 36 ASP N 1 36 ASP CA 1 36 ASP C -87.90 -47.90 -78.17 -78.27 -80.40 2.86 5 0 "[ . 1 . 2]"
62 . 1 36 ASP N 1 36 ASP CA 1 36 ASP C 1 37 GLU N -62.60 -22.60 -28.36 -28.13 -30.25 3.36 18 0 "[ . 1 . 2]"
63 . 1 36 ASP C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -83.20 -43.20 -68.98 -83.45 -54.18 0.25 16 0 "[ . 1 . 2]"
64 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 LEU N -63.60 -23.60 -40.03 -50.08 -23.51 0.09 20 0 "[ . 1 . 2]"
65 . 1 37 GLU C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -82.90 -42.90 -67.80 -65.59 -65.83 . . 0 "[ . 1 . 2]"
66 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 LYS N -60.70 -20.70 -42.74 -62.00 -33.55 1.30 10 0 "[ . 1 . 2]"
67 . 1 38 LEU C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -83.40 -43.40 -67.45 -66.74 -68.61 . . 0 "[ . 1 . 2]"
68 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 LYS N -62.80 -22.80 -31.16 -37.94 -24.34 . . 0 "[ . 1 . 2]"
69 . 1 39 LYS C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -84.80 -44.80 -69.83 -61.40 -64.36 . . 0 "[ . 1 . 2]"
70 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 GLU N -65.10 -25.10 -42.05 -57.79 -26.11 . . 0 "[ . 1 . 2]"
71 . 1 40 LYS C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -84.80 -44.80 -77.08 -88.42 -57.90 3.62 11 0 "[ . 1 . 2]"
72 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 MET N -59.40 -19.40 -30.75 -34.34 -38.14 . . 0 "[ . 1 . 2]"
73 . 1 41 GLU C 1 42 MET N 1 42 MET CA 1 42 MET C -86.20 -46.20 -63.66 -72.27 -55.14 . . 0 "[ . 1 . 2]"
74 . 1 42 MET N 1 42 MET CA 1 42 MET C 1 43 LYS N -57.50 -17.50 -33.46 -41.86 -21.61 . . 0 "[ . 1 . 2]"
75 . 1 42 MET C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -83.30 -43.30 -65.81 -70.54 -74.98 . . 0 "[ . 1 . 2]"
76 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 LYS N -60.70 -20.70 -44.41 -50.74 -36.46 . . 0 "[ . 1 . 2]"
77 . 1 43 LYS C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -82.80 -42.80 -60.15 -72.11 -52.70 . . 0 "[ . 1 . 2]"
78 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 LEU N -63.90 -13.40 -35.04 -28.28 -31.99 . . 0 "[ . 1 . 2]"
79 . 1 44 LYS C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -84.10 -44.10 -66.96 -76.30 -57.33 . . 0 "[ . 1 . 2]"
80 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 ALA N -62.70 -16.80 -38.22 -34.96 -36.71 . . 0 "[ . 1 . 2]"
81 . 1 45 LEU C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -111.70 -37.10 -76.09 -67.30 -69.47 . . 0 "[ . 1 . 2]"
82 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 GLU N -64.20 1.90 -37.57 -33.13 -39.56 . . 0 "[ . 1 . 2]"
83 . 1 46 ALA C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -117.90 -55.50 -73.76 -99.20 -59.35 . . 0 "[ . 1 . 2]"
84 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 GLU N -53.70 19.20 -50.03 -55.69 -35.26 1.99 15 0 "[ . 1 . 2]"
85 . 1 47 GLU C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -179.10 -45.80 -86.88 -95.49 -104.84 . . 0 "[ . 1 . 2]"
86 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 LYS N 32.70 172.70 114.99 86.61 156.73 . . 0 "[ . 1 . 2]"
87 . 1 48 GLU C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -103.50 -49.50 -90.90 -106.32 -65.33 2.82 2 0 "[ . 1 . 2]"
88 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 ASN N -63.30 28.90 -51.77 -33.27 -41.36 3.59 8 0 "[ . 1 . 2]"
89 . 1 50 ASN C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -173.70 -33.70 -153.55 -175.45 -68.59 1.75 13 0 "[ . 1 . 2]"
90 . 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 GLU N 90.70 -178.50 170.54 153.67 -176.19 2.31 17 0 "[ . 1 . 2]"
91 . 1 51 PHE C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -168.30 -28.30 -68.56 -82.46 -52.12 . . 0 "[ . 1 . 2]"
92 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 LYS N 90.00 -143.00 168.23 169.37 164.97 . . 0 "[ . 1 . 2]"
93 . 1 52 GLU C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -166.50 -26.50 -71.69 -67.01 -70.67 . . 0 "[ . 1 . 2]"
94 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 ILE N 76.70 167.70 148.26 151.53 150.54 . . 0 "[ . 1 . 2]"
95 . 1 53 LYS C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -150.40 -91.90 -111.18 -122.48 -96.43 . . 0 "[ . 1 . 2]"
96 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 LEU N 114.10 160.00 142.88 146.29 145.07 . . 0 "[ . 1 . 2]"
97 . 1 54 ILE C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -138.10 -74.50 -104.28 -109.18 -112.92 . . 0 "[ . 1 . 2]"
98 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ILE N 98.40 154.40 117.73 120.51 118.91 . . 0 "[ . 1 . 2]"
99 . 1 55 LEU C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -139.50 -99.50 -101.00 -118.08 -96.46 3.04 6 0 "[ . 1 . 2]"
100 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 ILE N 110.40 150.40 136.02 145.98 141.21 . . 0 "[ . 1 . 2]"
101 . 1 56 ILE C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -154.40 -81.00 -115.74 -126.33 -86.96 . . 0 "[ . 1 . 2]"
102 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 SER N 106.50 157.70 143.38 152.72 149.62 0.13 2 0 "[ . 1 . 2]"
103 . 1 57 ILE C 1 58 SER N 1 58 SER CA 1 58 SER C -155.90 -115.90 -143.89 -156.89 -113.70 2.20 3 0 "[ . 1 . 2]"
104 . 1 58 SER N 1 58 SER CA 1 58 SER C 1 59 ASN N 106.70 -175.90 142.08 106.43 163.59 0.27 3 0 "[ . 1 . 2]"
105 . 1 60 ASP C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -87.00 -38.30 -79.79 -88.37 -68.70 1.37 16 0 "[ . 1 . 2]"
106 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 GLN N -74.20 2.80 -28.76 -39.31 -16.75 . . 0 "[ . 1 . 2]"
107 . 1 61 LYS C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -82.90 -42.90 -70.02 -77.40 -64.01 . . 0 "[ . 1 . 2]"
108 . 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 LEU N -58.40 -18.40 -31.73 -37.68 -21.94 . . 0 "[ . 1 . 2]"
109 . 1 62 GLN C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -101.90 -38.00 -67.04 -65.01 -65.26 . . 0 "[ . 1 . 2]"
110 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 LEU N -66.80 4.50 -43.69 -46.29 -51.72 . . 0 "[ . 1 . 2]"
111 . 1 63 LEU C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -85.70 -45.70 -55.46 -64.75 -50.41 . . 0 "[ . 1 . 2]"
112 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 LYS N -59.00 -19.00 -52.83 -59.79 -44.29 0.79 16 0 "[ . 1 . 2]"
113 . 1 64 LEU C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -82.20 -42.20 -54.91 -57.83 -58.97 . . 0 "[ . 1 . 2]"
114 . 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 GLU N -64.20 -24.20 -46.35 -53.16 -35.45 . . 0 "[ . 1 . 2]"
115 . 1 65 LYS C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -87.60 -47.60 -59.29 -58.30 -59.35 . . 0 "[ . 1 . 2]"
116 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 MET N -60.40 -20.40 -50.94 -56.56 -41.24 . . 0 "[ . 1 . 2]"
117 . 1 66 GLU C 1 67 MET N 1 67 MET CA 1 67 MET C -82.50 -42.50 -62.76 -59.21 -61.68 . . 0 "[ . 1 . 2]"
118 . 1 67 MET N 1 67 MET CA 1 67 MET C 1 68 LEU N -62.60 -22.60 -41.88 -49.45 -30.70 . . 0 "[ . 1 . 2]"
119 . 1 67 MET C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -85.60 -45.60 -54.68 -55.18 -55.81 . . 0 "[ . 1 . 2]"
120 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 GLU N -59.70 -19.70 -41.41 -45.48 -35.67 . . 0 "[ . 1 . 2]"
121 . 1 68 LEU C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -82.10 -42.10 -74.99 -76.55 -79.74 1.20 16 0 "[ . 1 . 2]"
122 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 LEU N -63.20 -23.20 -37.15 -36.44 -38.64 . . 0 "[ . 1 . 2]"
123 . 1 69 GLU C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -83.60 -43.60 -65.46 -71.05 -58.84 . . 0 "[ . 1 . 2]"
124 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ILE N -63.50 -23.50 -47.92 -49.05 -51.07 . . 0 "[ . 1 . 2]"
125 . 1 70 LEU C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -86.50 -46.50 -61.80 -72.16 -54.54 . . 0 "[ . 1 . 2]"
126 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 SER N -63.10 -23.10 -32.78 -30.75 -31.41 . . 0 "[ . 1 . 2]"
127 . 1 71 ILE C 1 72 SER N 1 72 SER CA 1 72 SER C -80.30 -40.30 -63.97 -66.77 -67.76 . . 0 "[ . 1 . 2]"
128 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 LYS N -65.10 -25.10 -45.03 -51.84 -29.26 . . 0 "[ . 1 . 2]"
129 . 1 72 SER C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -85.40 -45.40 -81.36 -87.86 -70.30 2.46 17 0 "[ . 1 . 2]"
130 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 LEU N -48.30 -8.30 -16.20 -25.13 -40.43 1.79 10 0 "[ . 1 . 2]"
131 . 1 73 LYS C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -115.70 -61.30 -72.67 -78.77 -63.60 . . 0 "[ . 1 . 2]"
132 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 GLY N -47.30 26.30 -29.48 -47.13 -20.35 . . 0 "[ . 1 . 2]"
133 . 1 75 GLY C 1 76 TYR N 1 76 TYR CA 1 76 TYR C -165.30 -25.30 -103.42 -141.17 -80.95 . . 0 "[ . 1 . 2]"
134 . 1 76 TYR N 1 76 TYR CA 1 76 TYR C 1 77 LYS N 86.10 175.50 161.15 170.51 168.56 . . 0 "[ . 1 . 2]"
135 . 1 76 TYR C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -132.40 -67.60 -73.63 -83.48 -67.05 0.55 12 0 "[ . 1 . 2]"
136 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 VAL N 91.30 145.20 118.78 108.73 137.42 . . 0 "[ . 1 . 2]"
137 . 1 77 LYS C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -142.20 -91.40 -92.78 -107.42 -88.33 3.07 10 0 "[ . 1 . 2]"
138 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 PHE N 109.70 149.70 120.34 106.44 137.78 3.26 10 0 "[ . 1 . 2]"
139 . 1 78 VAL C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -145.60 -75.70 -123.03 -128.32 -130.35 . . 0 "[ . 1 . 2]"
140 . 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 LEU N 106.70 161.20 141.18 143.09 141.78 . . 0 "[ . 1 . 2]"
141 . 1 79 PHE C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -146.30 -67.10 -133.83 -143.23 -119.88 . . 0 "[ . 1 . 2]"
142 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 LEU N 97.40 146.20 134.87 97.37 149.27 3.07 15 0 "[ . 1 . 2]"
143 . 1 80 LEU C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -153.40 -68.60 -130.69 -102.15 -136.79 . . 0 "[ . 1 . 2]"
144 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 LEU N 115.00 155.00 121.03 111.55 141.28 3.45 8 0 "[ . 1 . 2]"
145 . 1 81 LEU C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -175.00 -84.30 -127.60 -127.44 -133.99 . . 0 "[ . 1 . 2]"
146 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 GLN N 122.50 169.20 142.40 145.52 145.08 . . 0 "[ . 1 . 2]"
147 . 1 82 LEU C 1 83 GLN N 1 83 GLN CA 1 83 GLN C -159.80 -70.40 -144.04 -150.70 -156.04 . . 0 "[ . 1 . 2]"
148 . 1 83 GLN N 1 83 GLN CA 1 83 GLN C 1 84 ASP N 103.60 159.60 143.32 144.19 143.28 . . 0 "[ . 1 . 2]"
149 . 1 83 GLN C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -163.20 -36.70 -158.59 -161.12 -163.96 4.90 18 0 "[ . 1 . 2]"
150 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 GLN N 117.50 174.30 165.34 169.23 167.28 0.87 6 0 "[ . 1 . 2]"
151 . 1 85 GLN C 1 86 ASP N 1 86 ASP CA 1 86 ASP C -151.20 -46.50 -101.84 -130.86 -82.50 . . 0 "[ . 1 . 2]"
152 . 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 GLU N 57.30 -162.70 114.49 123.98 120.00 . . 0 "[ . 1 . 2]"
153 . 1 86 ASP C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -107.10 -26.20 -77.99 -91.36 -62.59 . . 0 "[ . 1 . 2]"
154 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 ASN N -61.00 10.50 -23.07 -48.53 -3.61 . . 0 "[ . 1 . 2]"
155 . 1 87 GLU C 1 88 ASN N 1 88 ASN CA 1 88 ASN C -83.40 -43.40 -66.27 -80.98 -57.11 . . 0 "[ . 1 . 2]"
156 . 1 88 ASN N 1 88 ASN CA 1 88 ASN C 1 89 GLU N -59.10 -19.10 -35.28 -48.58 -23.62 . . 0 "[ . 1 . 2]"
157 . 1 88 ASN C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -85.20 -45.20 -67.25 -64.18 -68.63 . . 0 "[ . 1 . 2]"
158 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 LEU N -61.50 -21.50 -35.26 -28.98 -30.45 . . 0 "[ . 1 . 2]"
159 . 1 89 GLU C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -81.40 -41.40 -70.23 -82.40 -61.11 1.00 19 0 "[ . 1 . 2]"
160 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 GLU N -62.10 -22.10 -47.70 -55.46 -38.06 . . 0 "[ . 1 . 2]"
161 . 1 90 LEU C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -84.80 -44.80 -70.66 -82.17 -61.20 . . 0 "[ . 1 . 2]"
162 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 GLU N -60.80 -20.80 -35.12 -25.53 -27.67 . . 0 "[ . 1 . 2]"
163 . 1 91 GLU C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -83.90 -43.90 -70.25 -70.68 -71.35 . . 0 "[ . 1 . 2]"
164 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 PHE N -62.00 -22.00 -40.18 -48.18 -30.41 . . 0 "[ . 1 . 2]"
165 . 1 92 GLU C 1 93 PHE N 1 93 PHE CA 1 93 PHE C -85.90 -45.90 -68.95 -71.24 -71.49 . . 0 "[ . 1 . 2]"
166 . 1 93 PHE N 1 93 PHE CA 1 93 PHE C 1 94 LYS N -60.90 -20.90 -45.04 -47.04 -48.06 . . 0 "[ . 1 . 2]"
167 . 1 93 PHE C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -80.00 -40.00 -58.98 -51.31 -54.06 . . 0 "[ . 1 . 2]"
168 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ARG N -66.00 -26.00 -48.40 -54.67 -42.32 . . 0 "[ . 1 . 2]"
169 . 1 94 LYS C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -82.80 -42.80 -62.40 -69.09 -56.99 . . 0 "[ . 1 . 2]"
170 . 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 LYS N -61.40 -21.40 -26.80 -34.78 -19.14 2.26 9 0 "[ . 1 . 2]"
171 . 1 95 ARG C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -83.40 -43.40 -70.42 -66.38 -68.47 . . 0 "[ . 1 . 2]"
172 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 ILE N -60.30 -20.30 -44.86 -52.06 -34.94 . . 0 "[ . 1 . 2]"
173 . 1 96 LYS C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -94.00 -46.50 -68.97 -78.10 -62.31 . . 0 "[ . 1 . 2]"
174 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 GLU N -57.90 -17.90 -35.02 -33.34 -33.73 . . 0 "[ . 1 . 2]"
175 . 1 97 ILE C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -87.20 -47.20 -60.89 -65.99 -67.94 . . 0 "[ . 1 . 2]"
176 . 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 SER N -56.60 -16.60 -40.79 -51.28 -27.80 . . 0 "[ . 1 . 2]"
177 . 1 98 GLU C 1 99 SER N 1 99 SER CA 1 99 SER C -86.40 -46.40 -69.07 -72.36 -72.42 . . 0 "[ . 1 . 2]"
178 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 GLN N -62.30 -10.60 -29.05 -40.07 -17.95 . . 0 "[ . 1 . 2]"
179 . 1 99 SER C 1 100 GLN N 1 100 GLN CA 1 100 GLN C -104.70 -64.70 -79.18 -77.54 -79.70 . . 0 "[ . 1 . 2]"
180 . 1 100 GLN N 1 100 GLN CA 1 100 GLN C 1 101 GLY N -23.10 16.90 -13.75 -25.37 9.53 2.27 4 0 "[ . 1 . 2]"
181 . 1 100 GLN C 1 101 GLY N 1 101 GLY CA 1 101 GLY C 48.50 113.70 87.84 104.71 99.96 . . 0 "[ . 1 . 2]"
182 . 1 101 GLY N 1 101 GLY CA 1 101 GLY C 1 102 TYR N -10.50 47.70 24.59 0.29 47.41 . . 0 "[ . 1 . 2]"
183 . 1 101 GLY C 1 102 TYR N 1 102 TYR CA 1 102 TYR C -138.70 -68.70 -100.71 -90.80 -94.91 . . 0 "[ . 1 . 2]"
184 . 1 102 TYR N 1 102 TYR CA 1 102 TYR C 1 103 GLU N 113.20 169.00 144.19 148.07 145.80 . . 0 "[ . 1 . 2]"
185 . 1 102 TYR C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -129.30 -66.50 -75.81 -109.26 -65.61 0.89 9 0 "[ . 1 . 2]"
186 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 VAL N 89.40 149.10 107.80 88.08 131.54 1.32 18 0 "[ . 1 . 2]"
187 . 1 103 GLU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -135.30 -95.30 -124.62 -114.35 -118.53 5.80 5 1 "[ + 1 . 2]"
188 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 ARG N 112.10 158.80 134.78 120.04 150.73 . . 0 "[ . 1 . 2]"
189 . 1 104 VAL C 1 105 ARG N 1 105 ARG CA 1 105 ARG C -149.80 -80.30 -116.07 -139.22 -97.11 . . 0 "[ . 1 . 2]"
190 . 1 105 ARG N 1 105 ARG CA 1 105 ARG C 1 106 LYS N 114.50 154.50 139.32 118.95 155.80 1.30 6 0 "[ . 1 . 2]"
191 . 1 105 ARG C 1 106 LYS N 1 106 LYS CA 1 106 LYS C -144.60 -89.90 -115.09 -118.29 -128.39 . . 0 "[ . 1 . 2]"
192 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C 1 107 VAL N 108.70 163.80 134.02 152.65 143.71 . . 0 "[ . 1 . 2]"
193 . 1 106 LYS C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -167.10 -95.00 -140.26 -152.57 -124.32 . . 0 "[ . 1 . 2]"
194 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 THR N 125.10 -179.40 154.34 125.59 -178.26 1.14 18 0 "[ . 1 . 2]"
195 . 1 109 ASP C 1 110 ASP N 1 110 ASP CA 1 110 ASP C -79.90 -39.90 -59.93 -76.33 -48.59 . . 0 "[ . 1 . 2]"
196 . 1 110 ASP N 1 110 ASP CA 1 110 ASP C 1 111 GLU N -58.40 -18.40 -46.79 -59.04 -30.14 0.64 10 0 "[ . 1 . 2]"
197 . 1 110 ASP C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -83.20 -43.20 -64.29 -76.61 -54.04 . . 0 "[ . 1 . 2]"
198 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 GLU N -62.50 -22.50 -36.96 -34.80 -36.76 1.94 10 0 "[ . 1 . 2]"
199 . 1 111 GLU C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -85.70 -45.70 -69.46 -78.21 -61.77 . . 0 "[ . 1 . 2]"
200 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 ALA N -64.70 -24.70 -32.41 -33.44 -35.78 0.85 12 0 "[ . 1 . 2]"
201 . 1 112 GLU C 1 113 ALA N 1 113 ALA CA 1 113 ALA C -82.00 -42.00 -65.50 -72.44 -61.63 . . 0 "[ . 1 . 2]"
202 . 1 113 ALA N 1 113 ALA CA 1 113 ALA C 1 114 LEU N -58.50 -15.20 -45.02 -51.10 -38.85 . . 0 "[ . 1 . 2]"
203 . 1 113 ALA C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -86.00 -46.00 -63.48 -61.76 -63.36 . . 0 "[ . 1 . 2]"
204 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 LYS N -57.70 -17.70 -35.12 -45.02 -25.28 . . 0 "[ . 1 . 2]"
205 . 1 114 LEU C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -83.40 -43.40 -62.79 -71.10 -55.13 . . 0 "[ . 1 . 2]"
206 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 ILE N -64.10 -24.10 -49.84 -59.04 -38.21 . . 0 "[ . 1 . 2]"
207 . 1 115 LYS C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -81.80 -41.80 -70.39 -80.95 -59.64 . . 0 "[ . 1 . 2]"
208 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 VAL N -66.50 -26.50 -28.49 -28.64 -30.04 3.88 13 0 "[ . 1 . 2]"
209 . 1 116 ILE C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -82.90 -42.90 -56.35 -58.79 -59.19 . . 0 "[ . 1 . 2]"
210 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 ARG N -62.50 -22.50 -46.46 -53.60 -38.70 . . 0 "[ . 1 . 2]"
211 . 1 117 VAL C 1 118 ARG N 1 118 ARG CA 1 118 ARG C -81.10 -41.10 -72.56 -82.89 -67.52 1.79 16 0 "[ . 1 . 2]"
212 . 1 118 ARG N 1 118 ARG CA 1 118 ARG C 1 119 GLU N -63.20 -23.20 -40.70 -22.78 -36.36 0.42 2 0 "[ . 1 . 2]"
213 . 1 118 ARG C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -85.80 -45.80 -59.61 -65.74 -53.77 . . 0 "[ . 1 . 2]"
214 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 PHE N -63.00 -23.00 -37.92 -39.35 -40.29 . . 0 "[ . 1 . 2]"
215 . 1 119 GLU C 1 120 PHE N 1 120 PHE CA 1 120 PHE C -88.10 -45.00 -55.45 -54.66 -56.74 1.06 16 0 "[ . 1 . 2]"
216 . 1 120 PHE N 1 120 PHE CA 1 120 PHE C 1 121 MET N -61.10 -12.20 -41.66 -54.08 -30.36 . . 0 "[ . 1 . 2]"
217 . 1 120 PHE C 1 121 MET N 1 121 MET CA 1 121 MET C -82.00 -42.00 -61.12 -52.91 -56.50 . . 0 "[ . 1 . 2]"
218 . 1 121 MET N 1 121 MET CA 1 121 MET C 1 122 GLN N -60.90 -7.60 -29.25 -42.19 -19.19 . . 0 "[ . 1 . 2]"
219 . 1 121 MET C 1 122 GLN N 1 122 GLN CA 1 122 GLN C -97.70 -45.20 -96.36 -104.70 -80.26 7.00 2 1 "[ + . 1 . 2]"
220 . 1 122 GLN N 1 122 GLN CA 1 122 GLN C 1 123 LYS N -57.20 -12.50 -34.40 -31.74 -33.33 . . 0 "[ . 1 . 2]"
221 . 1 122 GLN C 1 123 LYS N 1 123 LYS CA 1 123 LYS C -89.30 -49.10 -74.60 -89.51 -60.02 0.21 3 0 "[ . 1 . 2]"
222 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C 1 124 ALA N -61.50 -4.90 -35.98 -64.78 -16.70 3.28 9 0 "[ . 1 . 2]"
223 . 1 123 LYS C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -93.80 -43.90 -71.64 -90.98 -60.41 . . 0 "[ . 1 . 2]"
224 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 GLY N -75.30 12.90 -25.18 -61.33 15.38 2.48 5 0 "[ . 1 . 2]"
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