NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535159 |
2lni   |
18166 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lni
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 202
_TA_constraint_stats_list.Viol_count 286
_TA_constraint_stats_list.Viol_total 11359.45
_TA_constraint_stats_list.Viol_max 9.64
_TA_constraint_stats_list.Viol_rms 0.70
_TA_constraint_stats_list.Viol_average_all_restraints 0.14
_TA_constraint_stats_list.Viol_average_violations_only 1.99
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 14 ASP C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -83.60 -43.60 -61.14 -60.37 -60.97 . . 0 "[ . 1 . 2]"
2 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 ALA N -75.90 16.80 -31.32 -37.74 -21.85 . . 0 "[ . 1 . 2]"
3 . 1 15 LEU C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -83.80 -43.80 -63.79 -61.82 -62.26 . . 0 "[ . 1 . 2]"
4 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 LEU N -62.40 -22.40 -24.22 -29.95 -18.31 4.09 5 0 "[ . 1 . 2]"
5 . 1 16 ALA C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -86.60 -42.70 -80.03 -78.76 -79.62 0.49 18 0 "[ . 1 . 2]"
6 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 MET N -64.20 -18.40 -22.67 -29.82 -15.79 2.61 18 0 "[ . 1 . 2]"
7 . 1 17 LEU C 1 18 MET N 1 18 MET CA 1 18 MET C -81.30 -41.30 -77.46 -77.85 -81.18 1.54 1 0 "[ . 1 . 2]"
8 . 1 18 MET N 1 18 MET CA 1 18 MET C 1 19 VAL N -62.50 -22.50 -37.29 -45.88 -28.48 . . 0 "[ . 1 . 2]"
9 . 1 18 MET C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -84.90 -44.90 -74.68 -85.23 -67.25 0.33 4 0 "[ . 1 . 2]"
10 . 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 LYS N -63.90 -23.90 -28.55 -22.94 -24.89 2.55 4 0 "[ . 1 . 2]"
11 . 1 19 VAL C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -79.50 -39.50 -74.67 -81.17 -69.47 1.67 2 0 "[ . 1 . 2]"
12 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 ASN N -62.40 -22.40 -27.90 -28.32 -30.47 1.89 12 0 "[ . 1 . 2]"
13 . 1 20 LYS C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -84.80 -44.80 -65.69 -73.03 -59.33 . . 0 "[ . 1 . 2]"
14 . 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 LYS N -60.60 -20.60 -46.43 -55.16 -25.50 . . 0 "[ . 1 . 2]"
15 . 1 21 ASN C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -86.50 -46.50 -71.57 -71.91 -73.67 . . 0 "[ . 1 . 2]"
16 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 GLY N -56.50 -16.50 -29.45 -39.01 -20.28 . . 0 "[ . 1 . 2]"
17 . 1 22 LYS C 1 23 GLY N 1 23 GLY CA 1 23 GLY C -82.50 -42.50 -60.74 -66.41 -55.39 . . 0 "[ . 1 . 2]"
18 . 1 23 GLY N 1 23 GLY CA 1 23 GLY C 1 24 ASN N -63.90 -23.90 -47.97 -58.34 -31.54 . . 0 "[ . 1 . 2]"
19 . 1 23 GLY C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -84.80 -44.80 -67.24 -62.48 -64.70 . . 0 "[ . 1 . 2]"
20 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 GLU N -57.40 -17.40 -35.50 -51.19 -21.99 . . 0 "[ . 1 . 2]"
21 . 1 24 ASN C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -86.60 -46.60 -68.50 -68.83 -70.53 . . 0 "[ . 1 . 2]"
22 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 CYS N -64.30 -24.30 -39.74 -56.09 -29.29 . . 0 "[ . 1 . 2]"
23 . 1 25 GLU C 1 26 CYS N 1 26 CYS CA 1 26 CYS C -82.50 -42.50 -56.69 -58.00 -58.31 . . 0 "[ . 1 . 2]"
24 . 1 26 CYS N 1 26 CYS CA 1 26 CYS C 1 27 PHE N -58.50 -18.50 -44.78 -45.86 -48.47 . . 0 "[ . 1 . 2]"
25 . 1 26 CYS C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -86.00 -46.00 -56.45 -52.02 -54.39 . . 0 "[ . 1 . 2]"
26 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 GLN N -60.10 -20.10 -44.69 -52.44 -34.30 . . 0 "[ . 1 . 2]"
27 . 1 27 PHE C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -84.50 -44.50 -65.77 -71.30 -61.68 . . 0 "[ . 1 . 2]"
28 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 LYS N -52.40 -12.40 -22.53 -28.43 -11.87 0.53 3 0 "[ . 1 . 2]"
29 . 1 28 GLN C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -106.90 -66.60 -79.81 -91.99 -71.46 . . 0 "[ . 1 . 2]"
30 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 GLY N -25.50 15.40 -9.76 -6.81 -7.71 . . 0 "[ . 1 . 2]"
31 . 1 33 PRO C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -87.30 -47.30 -61.24 -63.02 -64.00 . . 0 "[ . 1 . 2]"
32 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 ALA N -52.60 -12.60 -30.87 -31.48 -32.27 . . 0 "[ . 1 . 2]"
33 . 1 34 GLN C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -84.70 -44.70 -58.89 -58.44 -58.56 . . 0 "[ . 1 . 2]"
34 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 MET N -61.80 -21.80 -39.68 -49.25 -26.79 . . 0 "[ . 1 . 2]"
35 . 1 35 ALA C 1 36 MET N 1 36 MET CA 1 36 MET C -86.50 -46.50 -67.14 -64.31 -66.57 . . 0 "[ . 1 . 2]"
36 . 1 36 MET N 1 36 MET CA 1 36 MET C 1 37 LYS N -56.60 -16.10 -35.83 -43.68 -26.23 . . 0 "[ . 1 . 2]"
37 . 1 36 MET C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -85.90 -45.90 -73.11 -71.80 -72.92 . . 0 "[ . 1 . 2]"
38 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 HIS N -61.90 -21.90 -37.15 -59.21 -26.05 . . 0 "[ . 1 . 2]"
39 . 1 37 LYS C 1 38 HIS N 1 38 HIS CA 1 38 HIS C -83.30 -43.30 -72.42 -72.94 -74.26 . . 0 "[ . 1 . 2]"
40 . 1 38 HIS N 1 38 HIS CA 1 38 HIS C 1 39 TYR N -63.00 -23.00 -23.29 -25.26 -29.58 4.31 13 0 "[ . 1 . 2]"
41 . 1 38 HIS C 1 39 TYR N 1 39 TYR CA 1 39 TYR C -83.80 -43.80 -78.73 -88.44 -67.53 4.64 11 0 "[ . 1 . 2]"
42 . 1 39 TYR N 1 39 TYR CA 1 39 TYR C 1 40 THR N -60.20 -20.20 -32.01 -32.02 -35.13 0.51 10 0 "[ . 1 . 2]"
43 . 1 39 TYR C 1 40 THR N 1 40 THR CA 1 40 THR C -82.60 -42.60 -63.45 -67.69 -68.53 . . 0 "[ . 1 . 2]"
44 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 GLU N -61.50 -21.50 -42.50 -48.18 -34.57 . . 0 "[ . 1 . 2]"
45 . 1 40 THR C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -82.70 -42.70 -67.57 -69.71 -71.63 . . 0 "[ . 1 . 2]"
46 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 ALA N -58.90 -18.90 -31.03 -47.47 -22.96 . . 0 "[ . 1 . 2]"
47 . 1 41 GLU C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -90.10 -50.10 -69.80 -74.64 -65.05 . . 0 "[ . 1 . 2]"
48 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 ILE N -60.60 -10.70 -34.82 -42.94 -23.96 . . 0 "[ . 1 . 2]"
49 . 1 42 ALA C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -91.40 -45.80 -64.22 -64.89 -65.45 . . 0 "[ . 1 . 2]"
50 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 LYS N -59.00 -19.00 -33.42 -33.13 -33.56 . . 0 "[ . 1 . 2]"
51 . 1 43 ILE C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -81.10 -41.10 -67.21 -78.69 -58.71 . . 0 "[ . 1 . 2]"
52 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 ARG N -56.50 -16.50 -27.29 -44.35 -16.23 0.27 6 0 "[ . 1 . 2]"
53 . 1 45 ARG C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -153.90 -86.10 -132.98 -133.74 -135.19 . . 0 "[ . 1 . 2]"
54 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 PRO N 33.30 124.70 81.33 68.81 98.26 . . 0 "[ . 1 . 2]"
55 . 1 49 ASP C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -76.00 -36.00 -67.36 -77.48 -55.74 1.48 2 0 "[ . 1 . 2]"
56 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 LYS N -60.30 -20.30 -32.88 -27.57 -33.06 3.05 6 0 "[ . 1 . 2]"
57 . 1 50 ALA C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -78.10 -38.10 -68.28 -80.22 -60.32 2.12 4 0 "[ . 1 . 2]"
58 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 LEU N -62.70 -22.70 -23.72 -30.70 -16.77 5.93 5 1 "[ + 1 . 2]"
59 . 1 51 LYS C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -85.60 -45.60 -67.53 -77.76 -54.92 . . 0 "[ . 1 . 2]"
60 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 TYR N -65.80 -16.10 -36.96 -36.35 -36.59 . . 0 "[ . 1 . 2]"
61 . 1 52 LEU C 1 53 TYR N 1 53 TYR CA 1 53 TYR C -85.60 -42.80 -70.13 -62.87 -65.08 . . 0 "[ . 1 . 2]"
62 . 1 53 TYR N 1 53 TYR CA 1 53 TYR C 1 54 SER N -62.00 -18.50 -39.35 -62.27 -16.49 2.01 6 0 "[ . 1 . 2]"
63 . 1 53 TYR C 1 54 SER N 1 54 SER CA 1 54 SER C -81.90 -41.90 -67.03 -78.87 -58.34 . . 0 "[ . 1 . 2]"
64 . 1 54 SER N 1 54 SER CA 1 54 SER C 1 55 ASN N -62.00 -22.00 -27.09 -29.38 -33.36 3.07 9 0 "[ . 1 . 2]"
65 . 1 54 SER C 1 55 ASN N 1 55 ASN CA 1 55 ASN C -86.20 -46.20 -71.43 -66.12 -68.05 . . 0 "[ . 1 . 2]"
66 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 ARG N -58.20 -18.20 -35.38 -37.80 -38.55 . . 0 "[ . 1 . 2]"
67 . 1 55 ASN C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -84.20 -44.20 -68.12 -76.23 -59.33 . . 0 "[ . 1 . 2]"
68 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 ALA N -59.70 -19.70 -40.65 -29.31 -37.74 . . 0 "[ . 1 . 2]"
69 . 1 56 ARG C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -85.20 -45.20 -63.87 -73.17 -54.24 . . 0 "[ . 1 . 2]"
70 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 ALA N -67.30 -18.80 -36.41 -43.40 -31.71 . . 0 "[ . 1 . 2]"
71 . 1 57 ALA C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -85.50 -45.50 -66.70 -66.56 -67.25 . . 0 "[ . 1 . 2]"
72 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 CYS N -59.00 -19.00 -28.70 -24.24 -27.28 1.42 19 0 "[ . 1 . 2]"
73 . 1 58 ALA C 1 59 CYS N 1 59 CYS CA 1 59 CYS C -80.40 -40.40 -76.19 -81.76 -65.03 1.36 2 0 "[ . 1 . 2]"
74 . 1 59 CYS N 1 59 CYS CA 1 59 CYS C 1 60 TYR N -66.40 -26.40 -45.06 -37.56 -41.20 . . 0 "[ . 1 . 2]"
75 . 1 59 CYS C 1 60 TYR N 1 60 TYR CA 1 60 TYR C -83.80 -43.80 -57.99 -64.30 -53.02 . . 0 "[ . 1 . 2]"
76 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 THR N -57.80 -17.80 -33.09 -43.45 -20.06 . . 0 "[ . 1 . 2]"
77 . 1 60 TYR C 1 61 THR N 1 61 THR CA 1 61 THR C -83.30 -43.30 -59.74 -57.03 -57.77 . . 0 "[ . 1 . 2]"
78 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 LYS N -62.50 -22.50 -43.25 -44.82 -45.86 . . 0 "[ . 1 . 2]"
79 . 1 61 THR C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -86.80 -46.80 -70.42 -79.21 -65.67 . . 0 "[ . 1 . 2]"
80 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 LEU N -45.00 -5.00 -28.71 -36.19 -16.39 . . 0 "[ . 1 . 2]"
81 . 1 65 GLU C 1 66 PHE N 1 66 PHE CA 1 66 PHE C -79.40 -39.40 -57.21 -61.04 -52.16 . . 0 "[ . 1 . 2]"
82 . 1 66 PHE N 1 66 PHE CA 1 66 PHE C 1 67 GLN N -56.70 -16.70 -28.55 -31.60 -32.62 . . 0 "[ . 1 . 2]"
83 . 1 66 PHE C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -85.40 -45.40 -56.97 -61.10 -51.42 . . 0 "[ . 1 . 2]"
84 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 LEU N -61.90 -21.90 -41.24 -44.87 -37.74 . . 0 "[ . 1 . 2]"
85 . 1 67 GLN C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -85.10 -45.10 -76.13 -79.65 -71.81 . . 0 "[ . 1 . 2]"
86 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ALA N -60.30 -20.30 -36.59 -35.57 -36.28 . . 0 "[ . 1 . 2]"
87 . 1 68 LEU C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -85.00 -45.00 -62.48 -69.33 -56.32 . . 0 "[ . 1 . 2]"
88 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 LEU N -62.20 -22.20 -33.68 -27.93 -29.94 . . 0 "[ . 1 . 2]"
89 . 1 69 ALA C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -82.40 -42.40 -66.96 -70.91 -73.95 . . 0 "[ . 1 . 2]"
90 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 LYS N -64.60 -24.60 -61.08 -66.69 -46.73 2.09 6 0 "[ . 1 . 2]"
91 . 1 70 LEU C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -84.20 -44.20 -64.85 -70.69 -56.83 . . 0 "[ . 1 . 2]"
92 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 ASP N -59.50 -19.50 -30.99 -48.10 -18.69 0.81 5 0 "[ . 1 . 2]"
93 . 1 71 LYS C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -82.00 -42.00 -66.43 -76.87 -60.63 . . 0 "[ . 1 . 2]"
94 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 CYS N -64.10 -24.10 -41.72 -20.42 -33.59 3.68 2 0 "[ . 1 . 2]"
95 . 1 72 ASP C 1 73 CYS N 1 73 CYS CA 1 73 CYS C -80.70 -40.70 -73.05 -82.07 -59.61 1.37 12 0 "[ . 1 . 2]"
96 . 1 73 CYS N 1 73 CYS CA 1 73 CYS C 1 74 GLU N -68.60 -28.60 -33.26 -52.14 -22.66 5.94 13 1 "[ . 1 + . 2]"
97 . 1 73 CYS C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -82.90 -42.90 -69.29 -77.03 -60.35 . . 0 "[ . 1 . 2]"
98 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 GLU N -62.60 -22.60 -30.69 -30.87 -36.80 0.87 19 0 "[ . 1 . 2]"
99 . 1 74 GLU C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -86.50 -46.50 -83.64 -75.51 -79.89 4.39 14 0 "[ . 1 . 2]"
100 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 CYS N -61.00 -21.00 -33.93 -47.50 -18.34 2.66 13 0 "[ . 1 . 2]"
101 . 1 75 GLU C 1 76 CYS N 1 76 CYS CA 1 76 CYS C -79.50 -39.50 -62.48 -59.92 -60.76 . . 0 "[ . 1 . 2]"
102 . 1 76 CYS N 1 76 CYS CA 1 76 CYS C 1 77 ILE N -65.70 -25.70 -27.66 -28.76 -33.58 3.71 6 0 "[ . 1 . 2]"
103 . 1 76 CYS C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -83.30 -43.30 -63.83 -62.90 -65.80 . . 0 "[ . 1 . 2]"
104 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 GLN N -63.40 -23.40 -28.71 -36.94 -22.04 1.36 16 0 "[ . 1 . 2]"
105 . 1 77 ILE C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -82.80 -42.80 -74.00 -75.32 -78.16 . . 0 "[ . 1 . 2]"
106 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 LEU N -60.90 -20.90 -28.95 -40.53 -20.36 0.54 6 0 "[ . 1 . 2]"
107 . 1 78 GLN C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -93.10 -52.50 -84.05 -95.75 -73.21 2.65 10 0 "[ . 1 . 2]"
108 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 GLU N -64.30 -6.60 -47.94 -47.72 -51.74 . . 0 "[ . 1 . 2]"
109 . 1 79 LEU C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -150.90 -96.80 -146.82 -152.21 -153.01 2.11 1 0 "[ . 1 . 2]"
110 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 PRO N 44.70 102.30 102.19 102.31 100.05 4.37 15 0 "[ . 1 . 2]"
111 . 1 81 PRO C 1 82 THR N 1 82 THR CA 1 82 THR C -109.20 -69.20 -97.61 -111.97 -83.23 2.77 15 0 "[ . 1 . 2]"
112 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 PHE N -24.30 15.70 15.85 -9.82 20.51 4.81 17 0 "[ . 1 . 2]"
113 . 1 82 THR C 1 83 PHE N 1 83 PHE CA 1 83 PHE C -104.30 -64.30 -70.99 -72.00 -72.84 1.53 10 0 "[ . 1 . 2]"
114 . 1 83 PHE N 1 83 PHE CA 1 83 PHE C 1 84 ILE N 80.70 130.90 105.96 90.85 127.15 . . 0 "[ . 1 . 2]"
115 . 1 83 PHE C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -87.30 -32.60 -73.64 -75.93 -80.69 1.76 8 0 "[ . 1 . 2]"
116 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 LYS N -55.20 -15.20 -44.03 -53.72 -27.45 . . 0 "[ . 1 . 2]"
117 . 1 86 GLY C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -89.50 -49.50 -66.65 -61.93 -62.87 . . 0 "[ . 1 . 2]"
118 . 1 87 TYR N 1 87 TYR CA 1 87 TYR C 1 88 THR N -65.50 -25.50 -37.33 -36.00 -38.63 0.09 5 0 "[ . 1 . 2]"
119 . 1 87 TYR C 1 88 THR N 1 88 THR CA 1 88 THR C -83.50 -43.50 -66.44 -81.37 -59.35 . . 0 "[ . 1 . 2]"
120 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 ARG N -61.90 -21.90 -36.59 -39.69 -40.20 . . 0 "[ . 1 . 2]"
121 . 1 88 THR C 1 89 ARG N 1 89 ARG CA 1 89 ARG C -83.20 -43.20 -77.68 -84.73 -63.64 1.53 15 0 "[ . 1 . 2]"
122 . 1 89 ARG N 1 89 ARG CA 1 89 ARG C 1 90 LYS N -58.40 -18.40 -33.42 -32.60 -34.41 0.28 5 0 "[ . 1 . 2]"
123 . 1 89 ARG C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -84.30 -44.30 -66.83 -81.84 -55.68 . . 0 "[ . 1 . 2]"
124 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 ALA N -64.30 -24.30 -46.84 -54.60 -25.13 . . 0 "[ . 1 . 2]"
125 . 1 90 LYS C 1 91 ALA N 1 91 ALA CA 1 91 ALA C -79.90 -39.90 -66.97 -67.49 -67.62 . . 0 "[ . 1 . 2]"
126 . 1 91 ALA N 1 91 ALA CA 1 91 ALA C 1 92 ALA N -60.20 -20.20 -35.65 -35.34 -36.51 . . 0 "[ . 1 . 2]"
127 . 1 91 ALA C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -85.50 -45.50 -66.19 -61.19 -62.79 . . 0 "[ . 1 . 2]"
128 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 ALA N -59.40 -19.40 -36.28 -42.77 -24.68 . . 0 "[ . 1 . 2]"
129 . 1 92 ALA C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -83.50 -43.50 -68.81 -66.14 -67.09 . . 0 "[ . 1 . 2]"
130 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 LEU N -62.80 -22.80 -46.99 -52.00 -42.93 . . 0 "[ . 1 . 2]"
131 . 1 93 ALA C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -84.20 -44.20 -58.85 -57.93 -59.04 . . 0 "[ . 1 . 2]"
132 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 GLU N -59.80 -19.80 -37.67 -43.38 -31.30 . . 0 "[ . 1 . 2]"
133 . 1 94 LEU C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -83.60 -43.60 -57.21 -62.72 -52.12 . . 0 "[ . 1 . 2]"
134 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 ALA N -61.60 -21.60 -37.33 -35.40 -36.58 . . 0 "[ . 1 . 2]"
135 . 1 95 GLU C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -84.70 -44.70 -78.28 -85.42 -72.15 0.72 16 0 "[ . 1 . 2]"
136 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 MET N -53.60 -1.20 -14.09 -5.70 -8.66 0.59 14 0 "[ . 1 . 2]"
137 . 1 96 ALA C 1 97 MET N 1 97 MET CA 1 97 MET C -115.30 -75.30 -100.05 -116.20 -90.35 0.90 18 0 "[ . 1 . 2]"
138 . 1 97 MET N 1 97 MET CA 1 97 MET C 1 98 LYS N -8.00 32.00 6.69 0.35 15.54 . . 0 "[ . 1 . 2]"
139 . 1 97 MET C 1 98 LYS N 1 98 LYS CA 1 98 LYS C 38.30 78.30 69.74 70.44 69.87 . . 0 "[ . 1 . 2]"
140 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 ASP N 9.10 49.10 10.43 6.98 18.63 2.12 11 0 "[ . 1 . 2]"
141 . 1 99 ASP C 1 100 TYR N 1 100 TYR CA 1 100 TYR C -80.40 -40.40 -52.85 -57.44 -48.46 . . 0 "[ . 1 . 2]"
142 . 1 100 TYR N 1 100 TYR CA 1 100 TYR C 1 101 THR N -56.90 -16.90 -36.32 -36.09 -36.77 . . 0 "[ . 1 . 2]"
143 . 1 100 TYR C 1 101 THR N 1 101 THR CA 1 101 THR C -83.90 -43.90 -61.57 -61.90 -62.36 . . 0 "[ . 1 . 2]"
144 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 LYS N -61.00 -21.00 -37.60 -46.64 -25.09 . . 0 "[ . 1 . 2]"
145 . 1 101 THR C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -86.20 -46.20 -83.58 -71.67 -77.04 3.85 17 0 "[ . 1 . 2]"
146 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 ALA N -60.40 -20.40 -35.32 -45.83 -22.17 . . 0 "[ . 1 . 2]"
147 . 1 102 LYS C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -86.30 -46.30 -62.53 -70.45 -57.22 . . 0 "[ . 1 . 2]"
148 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 MET N -59.60 -19.60 -46.46 -50.33 -51.29 . . 0 "[ . 1 . 2]"
149 . 1 103 ALA C 1 104 MET N 1 104 MET CA 1 104 MET C -80.00 -40.00 -62.22 -70.33 -54.66 . . 0 "[ . 1 . 2]"
150 . 1 104 MET N 1 104 MET CA 1 104 MET C 1 105 ASP N -64.40 -24.40 -27.82 -25.85 -27.19 5.71 13 1 "[ . 1 + . 2]"
151 . 1 104 MET C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -82.50 -42.50 -69.60 -83.44 -63.20 0.94 5 0 "[ . 1 . 2]"
152 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 VAL N -59.80 -19.80 -37.79 -45.42 -23.17 . . 0 "[ . 1 . 2]"
153 . 1 105 ASP C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -85.40 -45.40 -77.41 -79.15 -79.78 . . 0 "[ . 1 . 2]"
154 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 TYR N -60.70 -20.70 -32.90 -28.77 -29.58 . . 0 "[ . 1 . 2]"
155 . 1 106 VAL C 1 107 TYR N 1 107 TYR CA 1 107 TYR C -82.90 -42.90 -64.00 -68.62 -58.41 . . 0 "[ . 1 . 2]"
156 . 1 107 TYR N 1 107 TYR CA 1 107 TYR C 1 108 GLN N -63.60 -23.60 -44.43 -40.19 -40.29 . . 0 "[ . 1 . 2]"
157 . 1 107 TYR C 1 108 GLN N 1 108 GLN CA 1 108 GLN C -80.10 -40.10 -61.59 -66.37 -57.28 . . 0 "[ . 1 . 2]"
158 . 1 108 GLN N 1 108 GLN CA 1 108 GLN C 1 109 LYS N -63.20 -23.20 -47.18 -44.38 -45.33 . . 0 "[ . 1 . 2]"
159 . 1 108 GLN C 1 109 LYS N 1 109 LYS CA 1 109 LYS C -83.50 -43.50 -64.92 -73.10 -58.28 . . 0 "[ . 1 . 2]"
160 . 1 109 LYS N 1 109 LYS CA 1 109 LYS C 1 110 ALA N -62.70 -22.70 -34.47 -44.56 -23.80 . . 0 "[ . 1 . 2]"
161 . 1 109 LYS C 1 110 ALA N 1 110 ALA CA 1 110 ALA C -80.90 -40.90 -64.07 -63.00 -64.30 . . 0 "[ . 1 . 2]"
162 . 1 110 ALA N 1 110 ALA CA 1 110 ALA C 1 111 LEU N -74.40 13.90 -44.94 -49.26 -37.36 . . 0 "[ . 1 . 2]"
163 . 1 110 ALA C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -85.20 -45.20 -65.47 -66.22 -67.74 . . 0 "[ . 1 . 2]"
164 . 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 ASP N -59.20 -14.80 -33.00 -40.56 -26.41 . . 0 "[ . 1 . 2]"
165 . 1 111 LEU C 1 112 ASP N 1 112 ASP CA 1 112 ASP C -83.90 -43.90 -68.80 -71.70 -71.85 . . 0 "[ . 1 . 2]"
166 . 1 112 ASP N 1 112 ASP CA 1 112 ASP C 1 113 LEU N -76.20 5.50 -30.48 -36.99 -38.74 . . 0 "[ . 1 . 2]"
167 . 1 112 ASP C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -123.70 -50.50 -70.65 -86.48 -58.43 . . 0 "[ . 1 . 2]"
168 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 ASP N -70.30 27.00 -52.53 -45.29 -47.77 0.77 8 0 "[ . 1 . 2]"
169 . 1 113 LEU C 1 114 ASP N 1 114 ASP CA 1 114 ASP C -164.60 -41.90 -162.49 -166.53 -146.27 1.93 4 0 "[ . 1 . 2]"
170 . 1 114 ASP N 1 114 ASP CA 1 114 ASP C 1 115 SER N 55.90 166.20 138.29 126.86 121.80 . . 0 "[ . 1 . 2]"
171 . 1 116 SER C 1 117 CYS N 1 117 CYS CA 1 117 CYS C -93.80 -38.60 -81.91 -68.88 -72.57 2.05 4 0 "[ . 1 . 2]"
172 . 1 117 CYS N 1 117 CYS CA 1 117 CYS C 1 118 LYS N -67.30 9.50 15.45 10.43 19.14 9.64 1 12 "[+** *** *- * . ***2]"
173 . 1 117 CYS C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -88.70 -42.80 -43.05 -38.76 -39.26 4.75 2 0 "[ . 1 . 2]"
174 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 GLU N -65.70 2.80 -26.47 -37.92 -18.02 . . 0 "[ . 1 . 2]"
175 . 1 118 LYS C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -86.00 -46.00 -53.74 -55.33 -55.58 . . 0 "[ . 1 . 2]"
176 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 ALA N -63.40 -21.50 -37.28 -43.27 -32.17 . . 0 "[ . 1 . 2]"
177 . 1 119 GLU C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -92.50 -42.80 -73.50 -89.33 -65.01 . . 0 "[ . 1 . 2]"
178 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 ALA N -59.30 -16.80 -24.29 -26.26 -26.86 0.67 20 0 "[ . 1 . 2]"
179 . 1 120 ALA C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -81.50 -41.50 -70.57 -71.43 -71.56 . . 0 "[ . 1 . 2]"
180 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 ASP N -64.70 -24.70 -39.46 -46.38 -33.22 . . 0 "[ . 1 . 2]"
181 . 1 121 ALA C 1 122 ASP N 1 122 ASP CA 1 122 ASP C -98.60 -35.80 -62.10 -69.28 -56.49 . . 0 "[ . 1 . 2]"
182 . 1 122 ASP N 1 122 ASP CA 1 122 ASP C 1 123 GLY N -71.70 2.30 -43.14 -40.67 -42.22 . . 0 "[ . 1 . 2]"
183 . 1 122 ASP C 1 123 GLY N 1 123 GLY CA 1 123 GLY C -87.00 -47.00 -66.35 -74.19 -59.59 . . 0 "[ . 1 . 2]"
184 . 1 123 GLY N 1 123 GLY CA 1 123 GLY C 1 124 TYR N -62.40 -22.40 -29.55 -35.67 -21.55 0.85 12 0 "[ . 1 . 2]"
185 . 1 123 GLY C 1 124 TYR N 1 124 TYR CA 1 124 TYR C -85.80 -45.80 -61.85 -68.42 -55.92 . . 0 "[ . 1 . 2]"
186 . 1 124 TYR N 1 124 TYR CA 1 124 TYR C 1 125 GLN N -61.90 -21.90 -52.93 -60.18 -46.22 . . 0 "[ . 1 . 2]"
187 . 1 124 TYR C 1 125 GLN N 1 125 GLN CA 1 125 GLN C -83.90 -43.90 -50.99 -57.51 -46.48 . . 0 "[ . 1 . 2]"
188 . 1 125 GLN N 1 125 GLN CA 1 125 GLN C 1 126 ARG N -63.10 -23.10 -37.04 -36.70 -37.58 . . 0 "[ . 1 . 2]"
189 . 1 125 GLN C 1 126 ARG N 1 126 ARG CA 1 126 ARG C -85.00 -45.00 -70.98 -59.78 -60.53 . . 0 "[ . 1 . 2]"
190 . 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 CYS N -62.80 -22.80 -38.02 -51.01 -22.10 0.70 14 0 "[ . 1 . 2]"
191 . 1 126 ARG C 1 127 CYS N 1 127 CYS CA 1 127 CYS C -82.20 -42.20 -73.74 -80.71 -82.42 0.74 18 0 "[ . 1 . 2]"
192 . 1 127 CYS N 1 127 CYS CA 1 127 CYS C 1 128 MET N -60.60 -20.60 -46.29 -56.11 -36.46 . . 0 "[ . 1 . 2]"
193 . 1 127 CYS C 1 128 MET N 1 128 MET CA 1 128 MET C -80.70 -40.70 -64.56 -64.33 -65.79 . . 0 "[ . 1 . 2]"
194 . 1 128 MET N 1 128 MET CA 1 128 MET C 1 129 MET N -60.70 -20.70 -44.21 -43.97 -45.10 . . 0 "[ . 1 . 2]"
195 . 1 128 MET C 1 129 MET N 1 129 MET CA 1 129 MET C -84.00 -44.00 -69.95 -76.46 -64.07 . . 0 "[ . 1 . 2]"
196 . 1 129 MET N 1 129 MET CA 1 129 MET C 1 130 ALA N -56.00 -16.00 -25.90 -23.24 -24.99 0.05 15 0 "[ . 1 . 2]"
197 . 1 129 MET C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -89.30 -49.30 -62.54 -71.29 -55.68 . . 0 "[ . 1 . 2]"
198 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 GLN N -53.00 -8.30 -39.12 -51.09 -22.50 . . 0 "[ . 1 . 2]"
199 . 1 130 ALA C 1 131 GLN N 1 131 GLN CA 1 131 GLN C -96.80 -56.80 -81.39 -72.47 -74.30 . . 0 "[ . 1 . 2]"
200 . 1 131 GLN N 1 131 GLN CA 1 131 GLN C 1 132 TYR N -42.60 -2.60 -23.32 -31.62 -11.92 . . 0 "[ . 1 . 2]"
201 . 1 131 GLN C 1 132 TYR N 1 132 TYR CA 1 132 TYR C -160.90 -29.30 -99.68 -107.93 -92.89 . . 0 "[ . 1 . 2]"
202 . 1 132 TYR N 1 132 TYR CA 1 132 TYR C 1 133 ASN N 40.30 -179.70 37.90 34.24 45.36 6.06 11 3 "[ . 1+ .*- 2]"
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