NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398668 |
1tnq   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1tnq
save_distance_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 1008
_TA_constraint_stats_list.Viol_total 9045.99
_TA_constraint_stats_list.Viol_max 4.33
_TA_constraint_stats_list.Viol_rms 0.11
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 0.22
_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 4 THR C 1 5 ASP N 1 5 ASP CA 1 5 ASP C -90.00 -10.00 -80.71 -87.68 -46.56 . . 0 "[ . 1 . 2 . 3 . 4]"
2 . 1 5 ASP C 1 6 GLN N 1 6 GLN CA 1 6 GLN C -90.00 -10.00 -71.89 -88.31 -45.33 . . 0 "[ . 1 . 2 . 3 . 4]"
3 . 1 7 GLN C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -90.00 -10.00 -61.99 -48.53 -49.95 . . 0 "[ . 1 . 2 . 3 . 4]"
4 . 1 8 ALA C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -90.00 -10.00 -70.75 -68.05 -69.18 . . 0 "[ . 1 . 2 . 3 . 4]"
5 . 1 9 GLU C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -90.00 -10.00 -63.92 -68.12 -68.89 . . 0 "[ . 1 . 2 . 3 . 4]"
6 . 1 10 ALA C 1 11 ARG N 1 11 ARG CA 1 11 ARG C -90.00 -10.00 -72.65 -79.17 -62.54 . . 0 "[ . 1 . 2 . 3 . 4]"
7 . 1 11 ARG C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -90.00 -10.00 -65.36 -73.40 -74.20 . . 0 "[ . 1 . 2 . 3 . 4]"
8 . 1 12 ALA C 1 13 PHE N 1 13 PHE CA 1 13 PHE C -90.00 -10.00 -70.10 -78.40 -57.94 . . 0 "[ . 1 . 2 . 3 . 4]"
9 . 1 15 SER C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -90.00 -10.00 -77.34 -85.12 -64.87 . . 0 "[ . 1 . 2 . 3 . 4]"
10 . 1 16 GLU C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -90.00 -10.00 -72.78 -87.54 -50.63 . . 0 "[ . 1 . 2 . 3 . 4]"
11 . 1 18 MET C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -90.00 -10.00 -61.70 -64.65 -65.20 . . 0 "[ . 1 . 2 . 3 . 4]"
12 . 1 19 ILE C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -90.00 -10.00 -57.28 -63.73 -64.06 . . 0 "[ . 1 . 2 . 3 . 4]"
13 . 1 20 ALA C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -90.00 -10.00 -59.54 -74.36 -49.44 . . 0 "[ . 1 . 2 . 3 . 4]"
14 . 1 22 PHE C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -90.00 -10.00 -60.15 -88.50 -46.56 . . 0 "[ . 1 . 2 . 3 . 4]"
15 . 1 23 LYS C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -90.00 -10.00 -58.63 -58.44 -60.36 . . 0 "[ . 1 . 2 . 3 . 4]"
16 . 1 24 ALA C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -90.00 -10.00 -65.28 -87.63 -47.57 . . 0 "[ . 1 . 2 . 3 . 4]"
17 . 1 25 ALA C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -90.00 -10.00 -64.03 -71.38 -73.32 . . 0 "[ . 1 . 2 . 3 . 4]"
18 . 1 26 PHE C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -90.00 -10.00 -66.21 -74.48 -55.73 . . 0 "[ . 1 . 2 . 3 . 4]"
19 . 1 27 ASP C 1 28 MET N 1 28 MET CA 1 28 MET C -90.00 -10.00 -54.97 -64.26 -47.69 . . 0 "[ . 1 . 2 . 3 . 4]"
20 . 1 28 MET C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -90.00 -10.00 -66.74 -75.56 -46.83 . . 0 "[ . 1 . 2 . 3 . 4]"
21 . 1 31 ALA C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -170.00 -70.00 -96.85 -155.63 -75.93 . . 0 "[ . 1 . 2 . 3 . 4]"
22 . 1 36 ASP C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -160.00 -80.00 -110.18 -148.44 -81.24 . . 0 "[ . 1 . 2 . 3 . 4]"
23 . 1 37 ILE C 1 38 SER N 1 38 SER CA 1 38 SER C -170.00 -70.00 -129.48 -166.48 -72.65 . . 0 "[ . 1 . 2 . 3 . 4]"
24 . 1 38 SER C 1 39 THR N 1 39 THR CA 1 39 THR C -90.00 -10.00 -80.89 -84.95 -55.45 . . 0 "[ . 1 . 2 . 3 . 4]"
25 . 1 39 THR C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -90.00 -10.00 -62.58 -60.62 -64.80 . . 0 "[ . 1 . 2 . 3 . 4]"
26 . 1 40 LYS C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -90.00 -10.00 -65.73 -82.38 -47.36 . . 0 "[ . 1 . 2 . 3 . 4]"
27 . 1 41 GLU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -90.00 -10.00 -57.70 -58.73 -59.95 . . 0 "[ . 1 . 2 . 3 . 4]"
28 . 1 43 GLY C 1 44 THR N 1 44 THR CA 1 44 THR C -90.00 -10.00 -60.11 -60.96 -62.62 . . 0 "[ . 1 . 2 . 3 . 4]"
29 . 1 44 THR C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -90.00 -10.00 -61.19 -77.72 -50.00 . . 0 "[ . 1 . 2 . 3 . 4]"
30 . 1 45 VAL C 1 46 MET N 1 46 MET CA 1 46 MET C -90.00 -10.00 -60.18 -71.57 -50.44 . . 0 "[ . 1 . 2 . 3 . 4]"
31 . 1 46 MET C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -90.00 -10.00 -65.42 -89.07 -45.09 . . 0 "[ . 1 . 2 . 3 . 4]"
32 . 1 47 ARG C 1 48 MET N 1 48 MET CA 1 48 MET C -90.00 -10.00 -56.44 -46.97 -47.86 . . 0 "[ . 1 . 2 . 3 . 4]"
33 . 1 50 GLY C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -160.00 -80.00 -114.81 -159.21 -79.22 0.78 11 0 "[ . 1 . 2 . 3 . 4]"
34 . 1 51 GLN C 1 52 ASN N 1 52 ASN CA 1 52 ASN C -170.00 -70.00 -144.60 -137.50 -138.80 . . 0 "[ . 1 . 2 . 3 . 4]"
35 . 1 53 PRO C 1 54 THR N 1 54 THR CA 1 54 THR C -170.00 -70.00 -111.04 -169.37 -71.50 . . 0 "[ . 1 . 2 . 3 . 4]"
36 . 1 54 THR C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -90.00 -10.00 -68.61 -86.52 -50.61 . . 0 "[ . 1 . 2 . 3 . 4]"
37 . 1 55 LYS C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -90.00 -10.00 -66.43 -74.82 -48.31 . . 0 "[ . 1 . 2 . 3 . 4]"
38 . 1 56 GLU C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -90.00 -10.00 -64.32 -80.20 -47.56 . . 0 "[ . 1 . 2 . 3 . 4]"
39 . 1 57 GLU C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -90.00 -10.00 -64.71 -65.57 -66.76 . . 0 "[ . 1 . 2 . 3 . 4]"
40 . 1 58 LEU C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -90.00 -10.00 -60.05 -63.86 -65.24 . . 0 "[ . 1 . 2 . 3 . 4]"
41 . 1 59 ASP C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -90.00 -10.00 -73.50 -72.59 -73.53 . . 0 "[ . 1 . 2 . 3 . 4]"
42 . 1 60 ALA C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -90.00 -10.00 -57.35 -69.61 -45.33 . . 0 "[ . 1 . 2 . 3 . 4]"
43 . 1 61 ILE C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -90.00 -10.00 -73.90 -73.72 -74.44 . . 0 "[ . 1 . 2 . 3 . 4]"
44 . 1 62 ILE C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -90.00 -10.00 -48.67 -58.59 -43.79 . . 0 "[ . 1 . 2 . 3 . 4]"
45 . 1 63 GLU C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -90.00 -10.00 -65.24 -87.34 -48.83 . . 0 "[ . 1 . 2 . 3 . 4]"
46 . 1 66 ASP C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -90.00 -10.00 -82.41 -85.01 -87.15 . . 0 "[ . 1 . 2 . 3 . 4]"
47 . 1 67 GLU C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -160.00 -80.00 -102.86 -81.66 -92.84 1.02 7 0 "[ . 1 . 2 . 3 . 4]"
48 . 1 71 GLY C 1 72 THR N 1 72 THR CA 1 72 THR C -170.00 -70.00 -109.72 -160.91 -71.46 . . 0 "[ . 1 . 2 . 3 . 4]"
49 . 1 72 THR C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -160.00 -80.00 -120.07 -119.19 -127.02 . . 0 "[ . 1 . 2 . 3 . 4]"
50 . 1 74 ASP C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -90.00 -10.00 -65.68 -80.37 -47.33 . . 0 "[ . 1 . 2 . 3 . 4]"
51 . 1 77 GLU C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -90.00 -10.00 -59.81 -58.78 -59.16 . . 0 "[ . 1 . 2 . 3 . 4]"
52 . 1 78 PHE C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -90.00 -10.00 -69.60 -68.58 -69.43 . . 0 "[ . 1 . 2 . 3 . 4]"
53 . 1 80 VAL C 1 81 MET N 1 81 MET CA 1 81 MET C -90.00 -10.00 -58.47 -73.69 -46.92 . . 0 "[ . 1 . 2 . 3 . 4]"
54 . 1 81 MET C 1 82 MET N 1 82 MET CA 1 82 MET C -90.00 -10.00 -62.93 -56.18 -57.85 . . 0 "[ . 1 . 2 . 3 . 4]"
55 . 1 82 MET C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -90.00 -10.00 -66.62 -74.48 -57.42 . . 0 "[ . 1 . 2 . 3 . 4]"
56 . 1 83 VAL C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -90.00 -10.00 -57.22 -71.69 -49.77 . . 0 "[ . 1 . 2 . 3 . 4]"
57 . 1 85 GLN C 1 86 MET N 1 86 MET CA 1 86 MET C -90.00 -10.00 -56.64 -49.56 -49.97 . . 0 "[ . 1 . 2 . 3 . 4]"
58 . 1 86 MET C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -90.00 -10.00 -58.84 -88.23 -43.44 . . 0 "[ . 1 . 2 . 3 . 4]"
59 . 1 5 ASP N 1 5 ASP CA 1 5 ASP C 1 6 GLN N -140.00 80.00 5.42 -144.33 75.72 4.33 33 0 "[ . 1 . 2 . 3 . 4]"
60 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 ALA N -140.00 80.00 -22.75 -30.10 -30.76 . . 0 "[ . 1 . 2 . 3 . 4]"
61 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 GLU N -140.00 80.00 -39.02 -34.79 -35.40 . . 0 "[ . 1 . 2 . 3 . 4]"
62 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 ARG N -140.00 80.00 -31.63 -24.55 -25.83 . . 0 "[ . 1 . 2 . 3 . 4]"
63 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 ALA N -140.00 80.00 -44.77 -40.29 -41.28 . . 0 "[ . 1 . 2 . 3 . 4]"
64 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 PHE N -140.00 80.00 -31.33 -40.10 -28.00 . . 0 "[ . 1 . 2 . 3 . 4]"
65 . 1 13 PHE N 1 13 PHE CA 1 13 PHE C 1 14 LEU N -140.00 80.00 -49.95 -65.56 -35.47 . . 0 "[ . 1 . 2 . 3 . 4]"
66 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 SER N 20.00 -140.00 136.04 105.99 178.25 . . 0 "[ . 1 . 2 . 3 . 4]"
67 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 GLU N -140.00 80.00 -36.31 -41.17 -31.27 . . 0 "[ . 1 . 2 . 3 . 4]"
68 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 MET N -140.00 80.00 -35.95 -34.56 -35.05 . . 0 "[ . 1 . 2 . 3 . 4]"
69 . 1 18 MET N 1 18 MET CA 1 18 MET C 1 19 ILE N -140.00 80.00 -36.93 -33.91 -34.41 . . 0 "[ . 1 . 2 . 3 . 4]"
70 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 ALA N -140.00 80.00 -35.99 -41.40 -27.71 . . 0 "[ . 1 . 2 . 3 . 4]"
71 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 GLU N -140.00 80.00 -37.56 -27.87 -29.95 . . 0 "[ . 1 . 2 . 3 . 4]"
72 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 PHE N -140.00 80.00 -39.76 -32.09 -33.52 . . 0 "[ . 1 . 2 . 3 . 4]"
73 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 LYS N -140.00 80.00 -22.74 -39.37 24.16 . . 0 "[ . 1 . 2 . 3 . 4]"
74 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 ALA N -140.00 80.00 -44.57 -36.43 -38.46 . . 0 "[ . 1 . 2 . 3 . 4]"
75 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 ALA N -140.00 80.00 -59.29 -73.99 -47.35 . . 0 "[ . 1 . 2 . 3 . 4]"
76 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 PHE N -140.00 80.00 -21.72 -36.48 19.62 . . 0 "[ . 1 . 2 . 3 . 4]"
77 . 1 27 ASP N 1 27 ASP CA 1 27 ASP C 1 28 MET N -140.00 80.00 -36.43 -35.53 -35.88 . . 0 "[ . 1 . 2 . 3 . 4]"
78 . 1 28 MET N 1 28 MET CA 1 28 MET C 1 29 PHE N -140.00 80.00 -46.04 -49.91 -54.33 . . 0 "[ . 1 . 2 . 3 . 4]"
79 . 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 ASP N -140.00 80.00 -37.49 -47.65 -54.11 . . 0 "[ . 1 . 2 . 3 . 4]"
80 . 1 36 ASP N 1 36 ASP CA 1 36 ASP C 1 37 ILE N 20.00 -140.00 161.00 147.83 144.60 . . 0 "[ . 1 . 2 . 3 . 4]"
81 . 1 37 ILE N 1 37 ILE CA 1 37 ILE C 1 38 SER N 20.00 -140.00 164.17 -167.54 -169.39 . . 0 "[ . 1 . 2 . 3 . 4]"
82 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 THR N 20.00 -140.00 -168.92 -164.15 -164.86 . . 0 "[ . 1 . 2 . 3 . 4]"
83 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 LYS N -140.00 80.00 -44.17 -69.34 -25.23 . . 0 "[ . 1 . 2 . 3 . 4]"
84 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 LEU N -140.00 80.00 -46.92 -37.76 -38.04 . . 0 "[ . 1 . 2 . 3 . 4]"
85 . 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 MET N -140.00 80.00 -26.82 -28.97 -29.97 . . 0 "[ . 1 . 2 . 3 . 4]"
86 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 GLY N -140.00 80.00 -53.20 -70.97 -73.29 . . 0 "[ . 1 . 2 . 3 . 4]"
87 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 ASN N 20.00 -140.00 -176.03 47.85 -162.97 . . 0 "[ . 1 . 2 . 3 . 4]"
88 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 LYS N 20.00 -140.00 168.63 149.83 -168.55 . . 0 "[ . 1 . 2 . 3 . 4]"
89 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 GLU N -140.00 80.00 -40.84 -38.91 -40.05 . . 0 "[ . 1 . 2 . 3 . 4]"
90 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 GLU N -140.00 80.00 -42.93 -41.47 -43.00 . . 0 "[ . 1 . 2 . 3 . 4]"
91 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ASP N -140.00 80.00 -36.43 -34.20 -34.31 . . 0 "[ . 1 . 2 . 3 . 4]"
92 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 ALA N -140.00 80.00 -34.11 -42.31 -28.81 . . 0 "[ . 1 . 2 . 3 . 4]"
93 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 ILE N -140.00 80.00 -38.25 -33.94 -34.28 . . 0 "[ . 1 . 2 . 3 . 4]"
94 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 GLU N -140.00 80.00 -36.98 -32.36 -33.30 . . 0 "[ . 1 . 2 . 3 . 4]"
95 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 GLU N -140.00 80.00 61.96 61.56 59.23 . . 0 "[ . 1 . 2 . 3 . 4]"
96 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 ASP N -140.00 80.00 6.72 -35.22 41.78 . . 0 "[ . 1 . 2 . 3 . 4]"
97 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 GLY N -140.00 80.00 -42.96 -34.01 -37.07 . . 0 "[ . 1 . 2 . 3 . 4]"
98 . 1 70 SER N 1 70 SER CA 1 70 SER C 1 71 GLY N -140.00 80.00 -44.85 -83.83 78.63 . . 0 "[ . 1 . 2 . 3 . 4]"
99 . 1 72 THR N 1 72 THR CA 1 72 THR C 1 73 ILE N 20.00 -140.00 168.73 136.30 -169.85 . . 0 "[ . 1 . 2 . 3 . 4]"
100 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 ASP N 20.00 -140.00 88.48 77.16 76.00 . . 0 "[ . 1 . 2 . 3 . 4]"
101 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 PHE N 20.00 -140.00 175.78 170.97 170.04 . . 0 "[ . 1 . 2 . 3 . 4]"
102 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 GLU N -140.00 80.00 -34.14 -52.07 -24.69 . . 0 "[ . 1 . 2 . 3 . 4]"
103 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 GLU N -140.00 80.00 -19.53 44.81 44.51 . . 0 "[ . 1 . 2 . 3 . 4]"
104 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 PHE N -140.00 80.00 -33.04 -43.17 -20.44 . . 0 "[ . 1 . 2 . 3 . 4]"
105 . 1 78 PHE N 1 78 PHE CA 1 78 PHE C 1 79 LEU N -140.00 80.00 -42.00 -70.78 -32.66 . . 0 "[ . 1 . 2 . 3 . 4]"
106 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 VAL N -140.00 80.00 -33.85 -47.30 46.26 . . 0 "[ . 1 . 2 . 3 . 4]"
107 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 MET N -140.00 80.00 -37.43 -35.90 -36.97 . . 0 "[ . 1 . 2 . 3 . 4]"
108 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 MET N -140.00 80.00 -59.61 -72.36 -35.60 . . 0 "[ . 1 . 2 . 3 . 4]"
109 . 1 82 MET N 1 82 MET CA 1 82 MET C 1 83 VAL N -140.00 80.00 -31.23 -31.08 -31.60 . . 0 "[ . 1 . 2 . 3 . 4]"
110 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 ARG N -140.00 80.00 -42.03 -59.06 -30.95 . . 0 "[ . 1 . 2 . 3 . 4]"
111 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 GLN N -140.00 80.00 -46.96 -46.26 -47.66 . . 0 "[ . 1 . 2 . 3 . 4]"
112 . 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 MET N -140.00 80.00 -33.76 -32.92 -33.26 . . 0 "[ . 1 . 2 . 3 . 4]"
113 . 1 86 MET N 1 86 MET CA 1 86 MET C 1 87 LYS N -140.00 80.00 -37.99 -35.90 -36.22 . . 0 "[ . 1 . 2 . 3 . 4]"
114 . 1 1 ALA CA 1 1 ALA C 1 2 SER N 1 2 SER CA 175.00 -175.00 179.89 -176.84 -177.14 0.03 22 0 "[ . 1 . 2 . 3 . 4]"
115 . 1 2 SER CA 1 2 SER C 1 3 MET N 1 3 MET CA 175.00 -175.00 -179.27 -177.40 -177.86 . . 0 "[ . 1 . 2 . 3 . 4]"
116 . 1 3 MET CA 1 3 MET C 1 4 THR N 1 4 THR CA 175.00 -175.00 179.57 -176.83 -177.48 0.18 2 0 "[ . 1 . 2 . 3 . 4]"
117 . 1 4 THR CA 1 4 THR C 1 5 ASP N 1 5 ASP CA 175.00 -175.00 -179.99 -175.53 -177.97 0.17 2 0 "[ . 1 . 2 . 3 . 4]"
118 . 1 5 ASP CA 1 5 ASP C 1 6 GLN N 1 6 GLN CA 175.00 -175.00 -178.64 -174.73 -174.77 0.55 29 0 "[ . 1 . 2 . 3 . 4]"
119 . 1 6 GLN CA 1 6 GLN C 1 7 GLN N 1 7 GLN CA 175.00 -175.00 -176.65 173.40 -174.24 1.60 21 0 "[ . 1 . 2 . 3 . 4]"
120 . 1 7 GLN CA 1 7 GLN C 1 8 ALA N 1 8 ALA CA 175.00 -175.00 -179.92 178.56 -179.51 . . 0 "[ . 1 . 2 . 3 . 4]"
121 . 1 8 ALA CA 1 8 ALA C 1 9 GLU N 1 9 GLU CA 175.00 -175.00 -175.85 -175.44 -175.47 . . 0 "[ . 1 . 2 . 3 . 4]"
122 . 1 9 GLU CA 1 9 GLU C 1 10 ALA N 1 10 ALA CA 175.00 -175.00 -175.49 -176.15 -176.55 0.57 14 0 "[ . 1 . 2 . 3 . 4]"
123 . 1 10 ALA CA 1 10 ALA C 1 11 ARG N 1 11 ARG CA 175.00 -175.00 -175.10 -174.66 -174.72 0.52 33 0 "[ . 1 . 2 . 3 . 4]"
124 . 1 11 ARG CA 1 11 ARG C 1 12 ALA N 1 12 ALA CA 175.00 -175.00 -178.01 -176.22 -176.39 0.21 33 0 "[ . 1 . 2 . 3 . 4]"
125 . 1 12 ALA CA 1 12 ALA C 1 13 PHE N 1 13 PHE CA 175.00 -175.00 -178.80 -179.14 -179.51 . . 0 "[ . 1 . 2 . 3 . 4]"
126 . 1 13 PHE CA 1 13 PHE C 1 14 LEU N 1 14 LEU CA 175.00 -175.00 -176.28 -176.81 -176.91 0.47 10 0 "[ . 1 . 2 . 3 . 4]"
127 . 1 14 LEU CA 1 14 LEU C 1 15 SER N 1 15 SER CA 175.00 -175.00 -179.81 179.64 179.49 0.16 5 0 "[ . 1 . 2 . 3 . 4]"
128 . 1 15 SER CA 1 15 SER C 1 16 GLU N 1 16 GLU CA 175.00 -175.00 -178.87 -179.15 -179.29 . . 0 "[ . 1 . 2 . 3 . 4]"
129 . 1 16 GLU CA 1 16 GLU C 1 17 GLU N 1 17 GLU CA 175.00 -175.00 -175.81 -174.94 -174.96 0.08 37 0 "[ . 1 . 2 . 3 . 4]"
130 . 1 17 GLU CA 1 17 GLU C 1 18 MET N 1 18 MET CA 175.00 -175.00 -178.90 174.93 -174.85 0.15 34 0 "[ . 1 . 2 . 3 . 4]"
131 . 1 18 MET CA 1 18 MET C 1 19 ILE N 1 19 ILE CA 175.00 -175.00 -176.09 177.14 -174.57 0.43 39 0 "[ . 1 . 2 . 3 . 4]"
132 . 1 19 ILE CA 1 19 ILE C 1 20 ALA N 1 20 ALA CA 175.00 -175.00 -175.74 -174.96 -175.45 0.94 39 0 "[ . 1 . 2 . 3 . 4]"
133 . 1 20 ALA CA 1 20 ALA C 1 21 GLU N 1 21 GLU CA 175.00 -175.00 -176.49 178.85 -174.45 0.55 22 0 "[ . 1 . 2 . 3 . 4]"
134 . 1 21 GLU CA 1 21 GLU C 1 22 PHE N 1 22 PHE CA 175.00 -175.00 -176.51 -175.16 -175.55 0.89 2 0 "[ . 1 . 2 . 3 . 4]"
135 . 1 22 PHE CA 1 22 PHE C 1 23 LYS N 1 23 LYS CA 175.00 -175.00 -176.98 -175.43 -175.72 0.78 3 0 "[ . 1 . 2 . 3 . 4]"
136 . 1 23 LYS CA 1 23 LYS C 1 24 ALA N 1 24 ALA CA 175.00 -175.00 -176.18 174.86 -174.72 0.28 38 0 "[ . 1 . 2 . 3 . 4]"
137 . 1 24 ALA CA 1 24 ALA C 1 25 ALA N 1 25 ALA CA 175.00 -175.00 -176.58 -176.92 -177.28 0.15 5 0 "[ . 1 . 2 . 3 . 4]"
138 . 1 25 ALA CA 1 25 ALA C 1 26 PHE N 1 26 PHE CA 175.00 -175.00 -175.78 -174.79 -174.83 0.43 3 0 "[ . 1 . 2 . 3 . 4]"
139 . 1 26 PHE CA 1 26 PHE C 1 27 ASP N 1 27 ASP CA 175.00 -175.00 -179.03 175.86 -174.88 0.12 17 0 "[ . 1 . 2 . 3 . 4]"
140 . 1 27 ASP CA 1 27 ASP C 1 28 MET N 1 28 MET CA 175.00 -175.00 -179.30 175.86 174.97 0.03 1 0 "[ . 1 . 2 . 3 . 4]"
141 . 1 28 MET CA 1 28 MET C 1 29 PHE N 1 29 PHE CA 175.00 -175.00 -177.39 177.93 -174.68 0.32 39 0 "[ . 1 . 2 . 3 . 4]"
142 . 1 29 PHE CA 1 29 PHE C 1 30 ASP N 1 30 ASP CA 175.00 -175.00 -178.85 176.11 -174.61 0.39 1 0 "[ . 1 . 2 . 3 . 4]"
143 . 1 30 ASP CA 1 30 ASP C 1 31 ALA N 1 31 ALA CA 175.00 -175.00 179.98 179.43 -179.85 . . 0 "[ . 1 . 2 . 3 . 4]"
144 . 1 31 ALA CA 1 31 ALA C 1 32 ASP N 1 32 ASP CA 175.00 -175.00 -178.59 174.98 -174.81 0.19 34 0 "[ . 1 . 2 . 3 . 4]"
145 . 1 32 ASP CA 1 32 ASP C 1 33 GLY N 1 33 GLY CA 175.00 -175.00 178.44 178.03 177.56 0.13 32 0 "[ . 1 . 2 . 3 . 4]"
146 . 1 33 GLY CA 1 33 GLY C 1 34 GLY N 1 34 GLY CA 175.00 -175.00 178.60 177.57 176.47 0.17 32 0 "[ . 1 . 2 . 3 . 4]"
147 . 1 34 GLY CA 1 34 GLY C 1 35 GLY N 1 35 GLY CA 175.00 -175.00 178.96 -177.05 -178.14 0.15 2 0 "[ . 1 . 2 . 3 . 4]"
148 . 1 35 GLY CA 1 35 GLY C 1 36 ASP N 1 36 ASP CA 175.00 -175.00 -179.39 -177.25 -178.01 0.11 2 0 "[ . 1 . 2 . 3 . 4]"
149 . 1 36 ASP CA 1 36 ASP C 1 37 ILE N 1 37 ILE CA 175.00 -175.00 -179.93 175.61 -174.93 0.07 6 0 "[ . 1 . 2 . 3 . 4]"
150 . 1 37 ILE CA 1 37 ILE C 1 38 SER N 1 38 SER CA 175.00 -175.00 177.58 174.71 -176.27 0.29 16 0 "[ . 1 . 2 . 3 . 4]"
151 . 1 38 SER CA 1 38 SER C 1 39 THR N 1 39 THR CA 175.00 -175.00 -179.90 -179.96 -179.97 . . 0 "[ . 1 . 2 . 3 . 4]"
152 . 1 39 THR CA 1 39 THR C 1 40 LYS N 1 40 LYS CA 175.00 -175.00 -179.82 -179.86 -179.88 . . 0 "[ . 1 . 2 . 3 . 4]"
153 . 1 40 LYS CA 1 40 LYS C 1 41 GLU N 1 41 GLU CA 175.00 -175.00 -175.40 -175.49 -176.49 0.56 25 0 "[ . 1 . 2 . 3 . 4]"
154 . 1 41 GLU CA 1 41 GLU C 1 42 LEU N 1 42 LEU CA 175.00 -175.00 -175.99 177.17 -174.56 0.44 33 0 "[ . 1 . 2 . 3 . 4]"
155 . 1 42 LEU CA 1 42 LEU C 1 43 GLY N 1 43 GLY CA 175.00 -175.00 -174.84 -174.96 -174.99 0.59 40 0 "[ . 1 . 2 . 3 . 4]"
156 . 1 43 GLY CA 1 43 GLY C 1 44 THR N 1 44 THR CA 175.00 -175.00 -175.01 -174.87 -174.88 0.69 12 0 "[ . 1 . 2 . 3 . 4]"
157 . 1 44 THR CA 1 44 THR C 1 45 VAL N 1 45 VAL CA 175.00 -175.00 -174.82 -174.92 -174.94 1.00 12 0 "[ . 1 . 2 . 3 . 4]"
158 . 1 45 VAL CA 1 45 VAL C 1 46 MET N 1 46 MET CA 175.00 -175.00 -176.39 178.54 -173.82 1.18 12 0 "[ . 1 . 2 . 3 . 4]"
159 . 1 46 MET CA 1 46 MET C 1 47 ARG N 1 47 ARG CA 175.00 -175.00 -176.34 -174.86 -174.92 0.99 12 0 "[ . 1 . 2 . 3 . 4]"
160 . 1 47 ARG CA 1 47 ARG C 1 48 MET N 1 48 MET CA 175.00 -175.00 -178.37 -175.82 -176.55 0.71 29 0 "[ . 1 . 2 . 3 . 4]"
161 . 1 48 MET CA 1 48 MET C 1 49 LEU N 1 49 LEU CA 175.00 -175.00 -177.80 -178.42 -179.23 0.50 15 0 "[ . 1 . 2 . 3 . 4]"
162 . 1 49 LEU CA 1 49 LEU C 1 50 GLY N 1 50 GLY CA 175.00 -175.00 179.33 174.61 -174.57 0.43 15 0 "[ . 1 . 2 . 3 . 4]"
163 . 1 50 GLY CA 1 50 GLY C 1 51 GLN N 1 51 GLN CA 175.00 -175.00 -178.92 174.81 -174.48 0.52 17 0 "[ . 1 . 2 . 3 . 4]"
164 . 1 51 GLN CA 1 51 GLN C 1 52 ASN N 1 52 ASN CA 175.00 -175.00 176.59 174.13 -176.07 0.87 17 0 "[ . 1 . 2 . 3 . 4]"
165 . 1 52 ASN CA 1 52 ASN C 1 53 PRO N 1 53 PRO CA 175.00 -175.00 179.27 -175.89 -176.84 0.53 17 0 "[ . 1 . 2 . 3 . 4]"
166 . 1 53 PRO CA 1 53 PRO C 1 54 THR N 1 54 THR CA 175.00 -175.00 179.81 179.45 -179.85 . . 0 "[ . 1 . 2 . 3 . 4]"
167 . 1 54 THR CA 1 54 THR C 1 55 LYS N 1 55 LYS CA 175.00 -175.00 -175.81 -174.60 -174.79 0.40 17 0 "[ . 1 . 2 . 3 . 4]"
168 . 1 55 LYS CA 1 55 LYS C 1 56 GLU N 1 56 GLU CA 175.00 -175.00 -175.45 -174.64 -174.82 0.43 17 0 "[ . 1 . 2 . 3 . 4]"
169 . 1 56 GLU CA 1 56 GLU C 1 57 GLU N 1 57 GLU CA 175.00 -175.00 -176.13 -174.67 -174.77 0.39 13 0 "[ . 1 . 2 . 3 . 4]"
170 . 1 57 GLU CA 1 57 GLU C 1 58 LEU N 1 58 LEU CA 175.00 -175.00 -176.57 -174.94 -174.96 0.46 13 0 "[ . 1 . 2 . 3 . 4]"
171 . 1 58 LEU CA 1 58 LEU C 1 59 ASP N 1 59 ASP CA 175.00 -175.00 -177.09 178.12 -175.10 . . 0 "[ . 1 . 2 . 3 . 4]"
172 . 1 59 ASP CA 1 59 ASP C 1 60 ALA N 1 60 ALA CA 175.00 -175.00 -179.20 178.97 177.16 0.08 10 0 "[ . 1 . 2 . 3 . 4]"
173 . 1 60 ALA CA 1 60 ALA C 1 61 ILE N 1 61 ILE CA 175.00 -175.00 -177.77 -177.53 -177.57 0.15 17 0 "[ . 1 . 2 . 3 . 4]"
174 . 1 61 ILE CA 1 61 ILE C 1 62 ILE N 1 62 ILE CA 175.00 -175.00 -175.04 -176.25 -174.31 0.69 18 0 "[ . 1 . 2 . 3 . 4]"
175 . 1 62 ILE CA 1 62 ILE C 1 63 GLU N 1 63 GLU CA 175.00 -175.00 -179.93 179.84 -179.69 . . 0 "[ . 1 . 2 . 3 . 4]"
176 . 1 63 GLU CA 1 63 GLU C 1 64 GLU N 1 64 GLU CA 175.00 -175.00 -177.97 177.61 177.58 0.96 15 0 "[ . 1 . 2 . 3 . 4]"
177 . 1 64 GLU CA 1 64 GLU C 1 65 VAL N 1 65 VAL CA 175.00 -175.00 -178.18 -177.83 -179.35 0.93 15 0 "[ . 1 . 2 . 3 . 4]"
178 . 1 65 VAL CA 1 65 VAL C 1 66 ASP N 1 66 ASP CA 175.00 -175.00 179.96 179.65 -179.76 . . 0 "[ . 1 . 2 . 3 . 4]"
179 . 1 66 ASP CA 1 66 ASP C 1 67 GLU N 1 67 GLU CA 175.00 -175.00 -179.85 -178.57 -178.63 . . 0 "[ . 1 . 2 . 3 . 4]"
180 . 1 67 GLU CA 1 67 GLU C 1 68 ASP N 1 68 ASP CA 175.00 -175.00 -178.24 177.84 -177.24 . . 0 "[ . 1 . 2 . 3 . 4]"
181 . 1 68 ASP CA 1 68 ASP C 1 69 GLY N 1 69 GLY CA 175.00 -175.00 179.34 177.80 -177.32 . . 0 "[ . 1 . 2 . 3 . 4]"
182 . 1 69 GLY CA 1 69 GLY C 1 70 SER N 1 70 SER CA 175.00 -175.00 -178.71 175.80 -174.65 0.35 7 0 "[ . 1 . 2 . 3 . 4]"
183 . 1 70 SER CA 1 70 SER C 1 71 GLY N 1 71 GLY CA 175.00 -175.00 179.65 178.76 178.54 . . 0 "[ . 1 . 2 . 3 . 4]"
184 . 1 71 GLY CA 1 71 GLY C 1 72 THR N 1 72 THR CA 175.00 -175.00 179.32 -179.22 -179.70 . . 0 "[ . 1 . 2 . 3 . 4]"
185 . 1 72 THR CA 1 72 THR C 1 73 ILE N 1 73 ILE CA 175.00 -175.00 -179.94 179.87 -179.66 . . 0 "[ . 1 . 2 . 3 . 4]"
186 . 1 73 ILE CA 1 73 ILE C 1 74 ASP N 1 74 ASP CA 175.00 -175.00 179.80 178.84 -179.71 . . 0 "[ . 1 . 2 . 3 . 4]"
187 . 1 74 ASP CA 1 74 ASP C 1 75 PHE N 1 75 PHE CA 175.00 -175.00 -179.87 176.34 -174.86 0.14 38 0 "[ . 1 . 2 . 3 . 4]"
188 . 1 75 PHE CA 1 75 PHE C 1 76 GLU N 1 76 GLU CA 175.00 -175.00 -175.99 -178.48 -178.64 0.26 36 0 "[ . 1 . 2 . 3 . 4]"
189 . 1 76 GLU CA 1 76 GLU C 1 77 GLU N 1 77 GLU CA 175.00 -175.00 -178.57 179.77 178.78 . . 0 "[ . 1 . 2 . 3 . 4]"
190 . 1 77 GLU CA 1 77 GLU C 1 78 PHE N 1 78 PHE CA 175.00 -175.00 -179.64 -179.88 -179.93 . . 0 "[ . 1 . 2 . 3 . 4]"
191 . 1 78 PHE CA 1 78 PHE C 1 79 LEU N 1 79 LEU CA 175.00 -175.00 -175.24 -175.17 -175.30 0.43 25 0 "[ . 1 . 2 . 3 . 4]"
192 . 1 79 LEU CA 1 79 LEU C 1 80 VAL N 1 80 VAL CA 175.00 -175.00 -179.56 179.84 -179.21 . . 0 "[ . 1 . 2 . 3 . 4]"
193 . 1 80 VAL CA 1 80 VAL C 1 81 MET N 1 81 MET CA 175.00 -175.00 -179.43 179.78 -179.13 . . 0 "[ . 1 . 2 . 3 . 4]"
194 . 1 81 MET CA 1 81 MET C 1 82 MET N 1 82 MET CA 175.00 -175.00 -174.75 179.17 -174.24 0.76 26 0 "[ . 1 . 2 . 3 . 4]"
195 . 1 82 MET CA 1 82 MET C 1 83 VAL N 1 83 VAL CA 175.00 -175.00 -174.83 179.16 -174.01 0.99 26 0 "[ . 1 . 2 . 3 . 4]"
196 . 1 83 VAL CA 1 83 VAL C 1 84 ARG N 1 84 ARG CA 175.00 -175.00 -174.73 -174.76 -174.79 0.72 3 0 "[ . 1 . 2 . 3 . 4]"
197 . 1 84 ARG CA 1 84 ARG C 1 85 GLN N 1 85 GLN CA 175.00 -175.00 -175.70 179.55 -174.22 0.78 6 0 "[ . 1 . 2 . 3 . 4]"
198 . 1 85 GLN CA 1 85 GLN C 1 86 MET N 1 86 MET CA 175.00 -175.00 -175.71 -179.45 -174.90 0.10 10 0 "[ . 1 . 2 . 3 . 4]"
199 . 1 86 MET CA 1 86 MET C 1 87 LYS N 1 87 LYS CA 175.00 -175.00 -177.36 176.25 -174.59 0.41 17 0 "[ . 1 . 2 . 3 . 4]"
200 . 1 87 LYS CA 1 87 LYS C 1 88 GLU N 1 88 GLU CA 175.00 -175.00 -179.98 179.82 179.73 . . 0 "[ . 1 . 2 . 3 . 4]"
201 . 1 88 GLU CA 1 88 GLU C 1 89 ASP N 1 89 ASP CA 175.00 -175.00 -179.91 174.80 -174.86 0.20 25 0 "[ . 1 . 2 . 3 . 4]"
202 . 1 89 ASP CA 1 89 ASP C 1 90 ALA N 1 90 ALA CA 175.00 -175.00 179.47 175.58 175.03 0.05 25 0 "[ . 1 . 2 . 3 . 4]"
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