NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369531 |
1bbo   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1bbo
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 145
_TA_constraint_stats_list.Viol_count 347
_TA_constraint_stats_list.Viol_total 11875.44
_TA_constraint_stats_list.Viol_max 2.06
_TA_constraint_stats_list.Viol_rms 0.14
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 0.57
_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 LYS C 1 2 TYR N 1 2 TYR CA 1 2 TYR C -165.00 -45.00 -115.60 -111.94 -143.66 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
2 . 1 2 TYR C 1 3 ILE N 1 3 ILE CA 1 3 ILE C -175.00 -65.00 -119.76 -128.43 -130.46 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
3 . 1 3 ILE C 1 4 CYS N 1 4 CYS CA 1 4 CYS C -175.00 -35.00 -55.08 -74.34 -45.85 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
4 . 1 4 CYS C 1 5 GLU N 1 5 GLU CA 1 5 GLU C -165.00 -45.00 -62.10 -63.03 -65.73 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
5 . 1 5 GLU C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -100.00 -20.00 -88.57 -88.05 -89.65 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
6 . 1 6 GLU C 1 7 CYS N 1 7 CYS CA 1 7 CYS C -180.00 -60.00 -76.65 -81.75 -68.73 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
7 . 1 8 GLY C 1 9 ILE N 1 9 ILE CA 1 9 ILE C 165.00 75.00 -58.77 -69.57 -48.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
8 . 1 9 ILE C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -165.00 -55.00 -105.26 -106.18 -107.96 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
9 . 1 10 ARG C 1 11 ABA N 1 11 ABA CA 1 11 ABA C -165.00 -25.00 -123.35 -131.33 -132.04 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
10 . 1 11 ABA C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -175.00 -35.00 -56.47 -71.94 -39.83 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
11 . 1 12 LYS C 1 13 LYS N 1 13 LYS CA 1 13 LYS C -145.00 -45.00 -118.93 -144.52 -91.68 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
12 . 1 13 LYS C 1 14 PRO N 1 14 PRO CA 1 14 PRO C -125.00 -45.00 -63.54 -66.38 -61.77 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
13 . 1 14 PRO C 1 15 SER N 1 15 SER CA 1 15 SER C -175.00 -25.00 -34.75 -30.64 -31.37 0.30 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
14 . 1 15 SER C 1 16 MET N 1 16 MET CA 1 16 MET C -155.00 -45.00 -70.10 -76.44 -64.45 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
15 . 1 16 MET C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -115.00 -25.00 -65.97 -71.28 -71.81 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
16 . 1 17 LEU C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -80.00 -20.00 -36.27 -35.04 -35.49 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
17 . 1 18 LYS C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -85.00 -25.00 -70.20 -72.03 -72.99 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
18 . 1 19 LYS C 1 20 HIS N 1 20 HIS CA 1 20 HIS C -90.00 -30.00 -58.56 -62.70 -55.41 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
19 . 1 20 HIS C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -90.00 -30.00 -58.81 -55.23 -55.72 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
20 . 1 21 ILE C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -90.00 -30.00 -72.71 -77.78 -64.22 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
21 . 1 22 ARG C 1 23 THR N 1 23 THR CA 1 23 THR C -90.00 -30.00 -68.26 -78.38 -45.95 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
22 . 1 23 THR C 1 24 HIS N 1 24 HIS CA 1 24 HIS C -110.00 -30.00 -81.06 -105.97 -69.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
23 . 1 24 HIS C 1 25 THR N 1 25 THR CA 1 25 THR C -120.00 -20.00 -93.81 -94.97 -95.48 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
24 . 1 25 THR C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -175.00 -55.00 -153.41 -160.00 -144.24 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
25 . 1 26 ASP C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -160.00 -20.00 -97.15 -104.61 -89.45 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
26 . 1 27 VAL C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -160.00 -60.00 -119.58 -134.44 -115.49 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
27 . 1 28 ARG C 1 29 PRO N 1 29 PRO CA 1 29 PRO C -100.00 -40.00 -63.50 -63.56 -63.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
28 . 1 29 PRO C 1 30 TYR N 1 30 TYR CA 1 30 TYR C -150.00 -50.00 -77.60 -132.01 -50.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
29 . 1 30 TYR C 1 31 HIS N 1 31 HIS CA 1 31 HIS C -145.00 -85.00 -104.75 -94.74 -97.72 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
30 . 1 31 HIS C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -90.00 -30.00 -61.90 -70.31 -53.30 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
31 . 1 32 CYS C 1 33 THR N 1 33 THR CA 1 33 THR C -110.00 -30.00 -77.72 -66.32 -76.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
32 . 1 33 THR C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -170.00 -50.00 -134.31 -118.64 -138.45 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
33 . 1 34 TYR C 1 35 CYS N 1 35 CYS CA 1 35 CYS C -100.00 -40.00 -65.29 -66.07 -67.30 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
34 . 1 35 CYS C 1 36 ASN N 1 36 ASN CA 1 36 ASN C -160.00 -80.00 -115.23 -130.07 -97.23 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
35 . 1 36 ASN C 1 37 PHE N 1 37 PHE CA 1 37 PHE C -105.00 -45.00 -80.19 -82.22 -84.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
36 . 1 37 PHE C 1 38 SER N 1 38 SER CA 1 38 SER C -165.00 -65.00 -145.19 -157.41 -123.08 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
37 . 1 38 SER C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -135.00 -65.00 -129.18 -136.00 -117.18 1.00 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
38 . 1 39 PHE C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -155.00 -25.00 -87.15 -80.14 -83.43 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
39 . 1 40 LYS C 1 41 THR N 1 41 THR CA 1 41 THR C -165.00 -75.00 -127.95 -116.30 -120.08 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
40 . 1 41 THR C 1 42 LYS N 1 42 LYS CA 1 42 LYS C -95.00 -5.00 -74.89 -82.82 -67.78 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
41 . 1 42 LYS C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -80.00 -20.00 -63.05 -71.33 -53.37 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
42 . 1 43 GLY C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -90.00 -30.00 -49.57 -49.87 -50.52 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
43 . 1 44 ASN C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -90.00 -30.00 -56.68 -53.45 -54.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
44 . 1 45 LEU C 1 46 THR N 1 46 THR CA 1 46 THR C -90.00 -30.00 -56.38 -51.91 -53.01 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
45 . 1 46 THR C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -95.00 -25.00 -66.37 -73.57 -59.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
46 . 1 47 LYS C 1 48 HIS N 1 48 HIS CA 1 48 HIS C -90.00 -30.00 -69.74 -73.72 -76.02 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
47 . 1 48 HIS C 1 49 MET N 1 49 MET CA 1 49 MET C -105.00 -25.00 -82.71 -98.85 -56.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
48 . 1 49 MET C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -95.00 -35.00 -56.94 -52.31 -53.26 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
49 . 1 50 LYS C 1 51 SER N 1 51 SER CA 1 51 SER C -95.00 -35.00 -53.22 -55.82 -60.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
50 . 1 51 SER C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -110.00 -50.00 -75.40 -69.29 -71.08 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
51 . 1 52 LYS C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -80.00 -20.00 -52.27 -48.94 -52.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
52 . 1 53 ALA C 1 54 HIS N 1 54 HIS CA 1 54 HIS C 175.00 -35.00 -150.37 -170.61 -140.47 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
53 . 1 54 HIS C 1 55 SER N 1 55 SER CA 1 55 SER C -175.00 -75.00 -148.01 -175.42 -112.47 0.42 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
54 . 1 55 SER C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -170.00 -50.00 -90.23 -147.86 -49.19 0.81 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
55 . 1 56 LYS C 1 57 LYS N 1 57 LYS CA 1 57 LYS C 175.00 -55.00 -70.67 -177.45 -54.36 0.64 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
56 . 1 2 TYR N 1 2 TYR CA 1 2 TYR C 1 3 ILE N 40.00 -120.00 55.01 41.59 80.04 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
57 . 1 3 ILE N 1 3 ILE CA 1 3 ILE C 1 4 CYS N 85.00 -175.00 109.39 115.06 111.85 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
58 . 1 4 CYS N 1 4 CYS CA 1 4 CYS C 1 5 GLU N 25.00 -165.00 116.96 103.02 130.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
59 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 CYS N -105.00 155.00 -68.61 -68.56 -68.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
60 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 ABA N 55.00 -145.00 104.30 89.07 119.36 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
61 . 1 11 ABA N 1 11 ABA CA 1 11 ABA C 1 12 LYS N 65.00 -115.00 97.70 88.86 86.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
62 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 LYS N -90.00 10.00 -2.93 -4.66 -10.97 1.07 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
63 . 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 PRO N 100.00 -140.00 144.09 147.08 145.39 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
64 . 1 14 PRO N 1 14 PRO CA 1 14 PRO C 1 15 SER N -80.00 20.00 -64.99 -72.06 -31.15 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
65 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 MET N -80.00 20.00 -42.70 -50.13 -33.29 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
66 . 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 LEU N -105.00 65.00 -53.25 -52.83 -52.85 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
67 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 LYS N -115.00 -15.00 -57.02 -56.36 -57.12 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
68 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 LYS N -100.00 0.00 -48.30 -58.03 -38.31 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
69 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 HIS N -100.00 0.00 -40.62 -40.25 -40.80 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
70 . 1 20 HIS N 1 20 HIS CA 1 20 HIS C 1 21 ILE N -90.00 10.00 -50.98 -55.24 -45.19 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
71 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 ARG N -95.00 15.00 -31.22 -33.73 -34.87 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
72 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 THR N -90.00 10.00 -21.57 -39.01 -12.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
73 . 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 HIS N -80.00 20.00 -18.22 -9.46 -12.21 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
74 . 1 24 HIS N 1 24 HIS CA 1 24 HIS C 1 25 THR N -80.00 20.00 11.06 -1.39 20.16 0.16 10 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
75 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 ASP N -120.00 60.00 -104.50 -100.14 -102.09 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
76 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 VAL N -110.00 90.00 28.61 23.26 31.24 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
77 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 ARG N -10.00 170.00 45.75 50.11 48.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
78 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 PRO N 30.00 130.00 85.33 81.47 88.84 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
79 . 1 29 PRO N 1 29 PRO CA 1 29 PRO C 1 30 TYR N -65.00 35.00 -24.25 -21.17 -22.03 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
80 . 1 30 TYR N 1 30 TYR CA 1 30 TYR C 1 31 HIS N 60.00 160.00 92.85 69.21 118.52 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
81 . 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 CYS N 85.00 -175.00 138.19 141.02 140.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
82 . 1 32 CYS N 1 32 CYS CA 1 32 CYS C 1 33 THR N 75.00 -25.00 148.58 136.66 159.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
83 . 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 TYR N -65.00 105.00 7.48 -24.20 23.73 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
84 . 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 CYS N -180.00 0.00 -67.76 -75.70 -44.32 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
85 . 1 35 CYS N 1 35 CYS CA 1 35 CYS C 1 36 ASN N 145.00 25.00 -171.56 -169.78 -171.29 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
86 . 1 37 PHE N 1 37 PHE CA 1 37 PHE C 1 38 SER N 35.00 175.00 157.48 129.98 170.48 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
87 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 PHE N 5.00 -95.00 162.77 170.38 169.56 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
88 . 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 LYS N 105.00 -125.00 159.77 155.23 167.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
89 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 THR N -125.00 45.00 -15.94 -23.03 -10.20 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
90 . 1 41 THR N 1 41 THR CA 1 41 THR C 1 42 LYS N 120.00 -140.00 157.37 155.10 159.25 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
91 . 1 42 LYS N 1 42 LYS CA 1 42 LYS C 1 43 GLY N -125.00 -5.00 -18.27 -26.49 -10.30 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
92 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 LEU N -125.00 -5.00 -36.09 -47.39 -18.44 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
93 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 THR N -110.00 -10.00 -54.14 -60.26 -60.84 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
94 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 LYS N -100.00 0.00 -34.04 -32.74 -33.20 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
95 . 1 48 HIS N 1 48 HIS CA 1 48 HIS C 1 49 MET N -115.00 5.00 -29.44 -15.30 -17.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
96 . 1 49 MET N 1 49 MET CA 1 49 MET C 1 50 LYS N -60.00 40.00 -30.97 -42.51 -16.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
97 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 SER N -130.00 10.00 -45.37 -63.46 -8.42 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
98 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 HIS N -140.00 -40.00 -88.46 -119.49 -64.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
99 . 1 54 HIS N 1 54 HIS CA 1 54 HIS C 1 55 SER N 10.00 110.00 88.74 70.95 106.61 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
100 . 1 2 TYR N 1 2 TYR CA 1 2 TYR CB 1 2 TYR CG -80.00 -30.00 -59.86 -64.26 -55.58 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
101 . 1 3 ILE N 1 3 ILE CA 1 3 ILE CB 1 3 ILE CG1 -80.00 -40.00 -52.44 -52.16 -62.70 0.34 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
102 . 1 4 CYS N 1 4 CYS CA 1 4 CYS CB 1 4 CYS SG 150.00 -160.00 167.47 167.71 166.64 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
103 . 1 5 GLU N 1 5 GLU CA 1 5 GLU CB 1 5 GLU CG -80.00 -30.00 -68.20 -80.13 -80.14 0.40 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
104 . 1 6 GLU N 1 6 GLU CA 1 6 GLU CB 1 6 GLU CG 160.00 -150.00 -159.48 -158.39 -159.16 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
105 . 1 7 CYS N 1 7 CYS CA 1 7 CYS CB 1 7 CYS SG -85.00 -25.00 -43.11 -57.37 -33.25 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
106 . 1 9 ILE N 1 9 ILE CA 1 9 ILE CB 1 9 ILE CG1 155.00 -145.00 -158.83 -165.31 -149.87 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
107 . 1 10 ARG N 1 10 ARG CA 1 10 ARG CB 1 10 ARG CG 160.00 -160.00 -170.47 -169.03 -169.92 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
108 . 1 11 ABA N 1 11 ABA CA 1 11 ABA CB 1 11 ABA CG -85.00 -35.00 -60.05 -69.99 -75.27 0.59 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
109 . 1 12 LYS N 1 12 LYS CA 1 12 LYS CB 1 12 LYS CG -90.00 -30.00 -65.65 -56.97 -58.81 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
110 . 1 13 LYS N 1 13 LYS CA 1 13 LYS CB 1 13 LYS CG -80.00 -40.00 -70.38 -80.96 -44.85 0.96 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
111 . 1 14 PRO N 1 14 PRO CA 1 14 PRO CB 1 14 PRO CG -30.00 30.00 6.12 5.77 5.54 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
112 . 1 15 SER N 1 15 SER CA 1 15 SER CB 1 15 SER OG 35.00 85.00 60.68 62.11 59.16 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
113 . 1 16 MET N 1 16 MET CA 1 16 MET CB 1 16 MET CG -80.00 -40.00 -79.31 -81.11 -66.61 1.11 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
114 . 1 17 LEU N 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG 160.00 -160.00 -160.94 -162.24 -163.21 0.42 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
115 . 1 20 HIS N 1 20 HIS CA 1 20 HIS CB 1 20 HIS CG 145.00 -155.00 175.47 176.41 176.16 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
116 . 1 21 ILE N 1 21 ILE CA 1 21 ILE CB 1 21 ILE CG1 150.00 -150.00 -154.94 -151.25 -175.43 1.72 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
117 . 1 22 ARG N 1 22 ARG CA 1 22 ARG CB 1 22 ARG CG -80.00 -30.00 -78.83 -81.02 -81.06 1.06 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
118 . 1 23 THR N 1 23 THR CA 1 23 THR CB 1 23 THR OG1 -80.00 -40.00 -47.60 -45.79 -47.51 2.06 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
119 . 1 24 HIS N 1 24 HIS CA 1 24 HIS CB 1 24 HIS CG -90.00 -30.00 -78.46 -84.70 -73.31 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
120 . 1 25 THR N 1 25 THR CA 1 25 THR CB 1 25 THR OG1 30.00 90.00 49.66 35.17 59.43 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
121 . 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG -80.00 -40.00 -69.70 -79.78 -47.30 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
122 . 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 30.00 90.00 56.38 51.64 59.91 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
123 . 1 28 ARG N 1 28 ARG CA 1 28 ARG CB 1 28 ARG CG -80.00 -40.00 -74.79 -79.02 -71.08 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
124 . 1 29 PRO N 1 29 PRO CA 1 29 PRO CB 1 29 PRO CG -30.00 30.00 -1.85 -6.96 2.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
125 . 1 30 TYR N 1 30 TYR CA 1 30 TYR CB 1 30 TYR CG -80.00 -40.00 -63.30 -61.90 -62.83 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
126 . 1 31 HIS N 1 31 HIS CA 1 31 HIS CB 1 31 HIS CG -90.00 -30.00 -64.28 -89.85 -42.28 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
127 . 1 32 CYS N 1 32 CYS CA 1 32 CYS CB 1 32 CYS SG 150.00 -160.00 160.12 162.17 161.59 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
128 . 1 33 THR N 1 33 THR CA 1 33 THR CB 1 33 THR OG1 -85.00 -35.00 -54.63 -42.73 -43.95 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
129 . 1 34 TYR N 1 34 TYR CA 1 34 TYR CB 1 34 TYR CG -80.00 -40.00 -55.89 -52.93 -53.64 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
130 . 1 35 CYS N 1 35 CYS CA 1 35 CYS CB 1 35 CYS SG -85.00 -35.00 -49.70 -50.81 -51.60 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
131 . 1 36 ASN N 1 36 ASN CA 1 36 ASN CB 1 36 ASN CG 155.00 -155.00 -173.43 158.98 -155.28 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
132 . 1 37 PHE N 1 37 PHE CA 1 37 PHE CB 1 37 PHE CG 145.00 -145.00 -153.05 -152.95 -153.25 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
133 . 1 38 SER N 1 38 SER CA 1 38 SER CB 1 38 SER OG 155.00 -155.00 -166.58 -175.72 -158.41 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
134 . 1 39 PHE N 1 39 PHE CA 1 39 PHE CB 1 39 PHE CG -80.00 -30.00 -42.09 -42.63 -42.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
135 . 1 40 LYS N 1 40 LYS CA 1 40 LYS CB 1 40 LYS CG 155.00 -155.00 173.50 -174.94 179.74 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
136 . 1 41 THR N 1 41 THR CA 1 41 THR CB 1 41 THR OG1 30.00 80.00 77.89 79.04 78.80 0.43 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
137 . 1 42 LYS N 1 42 LYS CA 1 42 LYS CB 1 42 LYS CG 160.00 -160.00 -175.39 179.59 176.63 0.82 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
138 . 1 44 ASN N 1 44 ASN CA 1 44 ASN CB 1 44 ASN CG -80.00 -30.00 -76.03 -79.47 -79.52 0.63 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
139 . 1 45 LEU N 1 45 LEU CA 1 45 LEU CB 1 45 LEU CG 160.00 -160.00 -173.83 174.11 -158.45 1.55 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
140 . 1 46 THR N 1 46 THR CA 1 46 THR CB 1 46 THR OG1 -90.00 -40.00 -58.87 -54.05 -54.99 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
141 . 1 48 HIS N 1 48 HIS CA 1 48 HIS CB 1 48 HIS CG 155.00 -155.00 172.90 169.73 169.43 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
142 . 1 49 MET N 1 49 MET CA 1 49 MET CB 1 49 MET CG -80.00 -30.00 -74.13 -79.78 -80.13 0.89 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
143 . 1 50 LYS N 1 50 LYS CA 1 50 LYS CB 1 50 LYS CG 150.00 -150.00 -168.35 171.76 -152.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
144 . 1 54 HIS N 1 54 HIS CA 1 54 HIS CB 1 54 HIS CG 30.00 90.00 31.14 30.72 30.08 1.81 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
145 . 1 56 LYS N 1 56 LYS CA 1 56 LYS CB 1 56 LYS CG -80.00 -30.00 -63.15 -78.27 -37.11 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
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