NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559331 |
2m2d   |
18908 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m2d
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 1
_TA_constraint_stats_list.Viol_count 2
_TA_constraint_stats_list.Viol_total 80.60
_TA_constraint_stats_list.Viol_max 2.25
_TA_constraint_stats_list.Viol_rms 0.38
_TA_constraint_stats_list.Viol_average_all_restraints 0.07
_TA_constraint_stats_list.Viol_average_violations_only 1.15
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 2 PRO CA 1 2 PRO N 1 1 MET C 1 1 MET CA 170.00 -170.00 176.06 167.75 -173.81 2.25 5 0 "[ . 1 . 2 . 3 .]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 180
_TA_constraint_stats_list.Viol_count 451
_TA_constraint_stats_list.Viol_total 1314.41
_TA_constraint_stats_list.Viol_max 0.52
_TA_constraint_stats_list.Viol_rms 0.03
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.08
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 3 PRO C 1 4 THR N 1 4 THR CA 1 4 THR C 168.90 -51.10 -150.95 -179.09 -121.46 . . 0 "[ . 1 . 2 . 3 .]"
2 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 PHE N 91.30 -154.80 153.05 137.79 171.12 . . 0 "[ . 1 . 2 . 3 .]"
3 . 1 4 THR C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -161.80 -78.30 -137.34 -140.37 -143.28 0.05 22 0 "[ . 1 . 2 . 3 .]"
4 . 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 SER N 109.00 157.90 125.65 111.99 157.86 . . 0 "[ . 1 . 2 . 3 .]"
5 . 1 5 PHE C 1 6 SER N 1 6 SER CA 1 6 SER C -140.80 -88.30 -140.61 -140.84 -140.85 0.28 10 0 "[ . 1 . 2 . 3 .]"
6 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 PRO N 72.70 166.60 158.85 160.65 160.23 . . 0 "[ . 1 . 2 . 3 .]"
7 . 1 7 PRO C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -114.20 -55.00 -61.29 -61.03 -61.70 . . 0 "[ . 1 . 2 . 3 .]"
8 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 LEU N -45.70 -5.60 -28.21 -34.10 -20.09 . . 0 "[ . 1 . 2 . 3 .]"
9 . 1 8 ALA C 1 9 LEU N 1 9 LEU CA 1 9 LEU C 173.90 -84.90 -139.81 -135.46 -136.34 . . 0 "[ . 1 . 2 . 3 .]"
10 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 LEU N 109.90 149.90 121.04 117.67 116.89 . . 0 "[ . 1 . 2 . 3 .]"
11 . 1 9 LEU C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -140.70 -82.30 -105.60 -115.29 -96.74 . . 0 "[ . 1 . 2 . 3 .]"
12 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 VAL N 106.30 156.50 126.29 122.30 121.81 . . 0 "[ . 1 . 2 . 3 .]"
13 . 1 10 LEU C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -129.00 -88.80 -110.50 -106.84 -108.04 . . 0 "[ . 1 . 2 . 3 .]"
14 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 VAL N 108.80 148.80 124.72 122.57 122.08 . . 0 "[ . 1 . 2 . 3 .]"
15 . 1 11 VAL C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -162.90 -107.90 -128.43 -129.56 -130.23 . . 0 "[ . 1 . 2 . 3 .]"
16 . 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 THR N 136.20 176.20 167.75 172.15 170.05 0.03 8 0 "[ . 1 . 2 . 3 .]"
17 . 1 12 VAL C 1 13 THR N 1 13 THR CA 1 13 THR C -167.30 -37.50 -93.76 -110.12 -84.77 . . 0 "[ . 1 . 2 . 3 .]"
18 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 GLU N 111.80 151.80 149.26 151.50 151.27 0.12 24 0 "[ . 1 . 2 . 3 .]"
19 . 1 13 THR C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -96.60 -37.40 -52.98 -59.27 -44.29 . . 0 "[ . 1 . 2 . 3 .]"
20 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 GLY N 113.30 153.30 122.46 116.05 127.48 . . 0 "[ . 1 . 2 . 3 .]"
21 . 1 17 ASN C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -166.80 -56.00 -102.99 -133.38 -77.08 . . 0 "[ . 1 . 2 . 3 .]"
22 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 THR N 111.90 151.90 124.03 119.58 118.64 0.03 5 0 "[ . 1 . 2 . 3 .]"
23 . 1 18 ALA C 1 19 THR N 1 19 THR CA 1 19 THR C -132.70 -72.30 -128.00 -132.88 -113.61 0.18 22 0 "[ . 1 . 2 . 3 .]"
24 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 PHE N 106.70 146.70 126.59 123.27 132.08 . . 0 "[ . 1 . 2 . 3 .]"
25 . 1 19 THR C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -138.30 -84.00 -102.26 -103.28 -104.96 . . 0 "[ . 1 . 2 . 3 .]"
26 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 THR N 110.80 159.50 156.46 146.72 159.62 0.12 11 0 "[ . 1 . 2 . 3 .]"
27 . 1 20 PHE C 1 21 THR N 1 21 THR CA 1 21 THR C -141.40 -93.20 -106.14 -110.67 -112.39 0.05 25 0 "[ . 1 . 2 . 3 .]"
28 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 CYS N 100.60 140.60 131.25 132.02 131.36 . . 0 "[ . 1 . 2 . 3 .]"
29 . 1 21 THR C 1 22 CYS N 1 22 CYS CA 1 22 CYS C -150.30 -98.30 -121.87 -150.34 -98.31 0.04 22 0 "[ . 1 . 2 . 3 .]"
30 . 1 22 CYS N 1 22 CYS CA 1 22 CYS C 1 23 SER N 108.70 153.10 137.37 114.73 151.64 . . 0 "[ . 1 . 2 . 3 .]"
31 . 1 22 CYS C 1 23 SER N 1 23 SER CA 1 23 SER C -154.00 -62.50 -134.72 -154.10 -97.40 0.10 22 0 "[ . 1 . 2 . 3 .]"
32 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 PHE N 89.10 161.60 137.30 139.36 136.09 0.16 22 0 "[ . 1 . 2 . 3 .]"
33 . 1 23 SER C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -160.50 -37.70 -142.59 -132.06 -134.26 0.23 14 0 "[ . 1 . 2 . 3 .]"
34 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 SER N 114.20 156.10 153.87 152.73 151.19 0.21 22 0 "[ . 1 . 2 . 3 .]"
35 . 1 24 PHE C 1 25 SER N 1 25 SER CA 1 25 SER C -153.70 -83.50 -121.70 -113.19 -128.14 0.24 10 0 "[ . 1 . 2 . 3 .]"
36 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 ASN N 101.50 -169.90 131.14 101.38 164.31 0.12 27 0 "[ . 1 . 2 . 3 .]"
37 . 1 25 SER C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -163.80 -36.80 -133.00 -144.15 -145.01 . . 0 "[ . 1 . 2 . 3 .]"
38 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 THR N 55.50 -170.20 150.43 151.87 147.53 . . 0 "[ . 1 . 2 . 3 .]"
39 . 1 30 SER C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -169.10 -100.40 -157.81 -150.74 -154.27 0.08 27 0 "[ . 1 . 2 . 3 .]"
40 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 VAL N 131.10 173.50 160.52 150.64 169.31 . . 0 "[ . 1 . 2 . 3 .]"
41 . 1 31 PHE C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -150.80 -96.00 -101.56 -125.77 -95.85 0.15 4 0 "[ . 1 . 2 . 3 .]"
42 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 LEU N 99.30 155.40 130.61 134.77 134.22 . . 0 "[ . 1 . 2 . 3 .]"
43 . 1 32 VAL C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -144.40 -99.40 -104.34 -127.78 -99.30 0.10 8 0 "[ . 1 . 2 . 3 .]"
44 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 ASN N 113.50 160.50 134.58 113.48 147.60 0.02 26 0 "[ . 1 . 2 . 3 .]"
45 . 1 33 LEU C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -145.50 -104.70 -129.60 -138.62 -141.96 0.16 17 0 "[ . 1 . 2 . 3 .]"
46 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 TRP N 113.50 167.70 153.62 137.12 163.17 . . 0 "[ . 1 . 2 . 3 .]"
47 . 1 34 ASN C 1 35 TRP N 1 35 TRP CA 1 35 TRP C -149.30 -97.10 -123.65 -130.90 -133.19 . . 0 "[ . 1 . 2 . 3 .]"
48 . 1 35 TRP N 1 35 TRP CA 1 35 TRP C 1 36 TYR N 113.20 153.20 139.04 131.65 148.84 . . 0 "[ . 1 . 2 . 3 .]"
49 . 1 35 TRP C 1 36 TYR N 1 36 TYR CA 1 36 TYR C -145.00 -98.10 -134.56 -136.15 -136.65 . . 0 "[ . 1 . 2 . 3 .]"
50 . 1 36 TYR N 1 36 TYR CA 1 36 TYR C 1 37 ARG N 117.40 180.00 146.42 140.29 156.29 . . 0 "[ . 1 . 2 . 3 .]"
51 . 1 36 TYR C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -156.30 -91.20 -104.15 -112.84 -91.21 . . 0 "[ . 1 . 2 . 3 .]"
52 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 MET N 112.20 174.50 140.88 134.97 129.99 . . 0 "[ . 1 . 2 . 3 .]"
53 . 1 37 ARG C 1 38 MET N 1 38 MET CA 1 38 MET C -136.80 -63.90 -88.00 -93.65 -96.91 . . 0 "[ . 1 . 2 . 3 .]"
54 . 1 38 MET N 1 38 MET CA 1 38 MET C 1 39 SER N 91.50 145.90 141.44 130.36 127.31 0.05 29 0 "[ . 1 . 2 . 3 .]"
55 . 1 38 MET C 1 39 SER N 1 39 SER CA 1 39 SER C -140.20 -25.70 -95.45 -111.45 -82.45 . . 0 "[ . 1 . 2 . 3 .]"
56 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 PRO N 78.50 176.10 157.39 162.06 160.61 . . 0 "[ . 1 . 2 . 3 .]"
57 . 1 40 PRO C 1 41 SER N 1 41 SER CA 1 41 SER C -120.80 -77.00 -78.67 -94.78 -76.79 0.21 26 0 "[ . 1 . 2 . 3 .]"
58 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 ASN N -12.50 27.50 7.98 11.86 10.74 . . 0 "[ . 1 . 2 . 3 .]"
59 . 1 41 SER C 1 42 ASN N 1 42 ASN CA 1 42 ASN C 35.60 75.60 69.32 54.31 75.60 . . 0 "[ . 1 . 2 . 3 .]"
60 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 GLN N 21.00 61.00 28.35 22.44 21.89 0.20 1 0 "[ . 1 . 2 . 3 .]"
61 . 1 42 ASN C 1 43 GLN N 1 43 GLN CA 1 43 GLN C -152.50 -36.10 -101.56 -90.41 -92.23 . . 0 "[ . 1 . 2 . 3 .]"
62 . 1 43 GLN N 1 43 GLN CA 1 43 GLN C 1 44 THR N 117.40 -172.70 -178.11 179.24 177.07 0.09 6 0 "[ . 1 . 2 . 3 .]"
63 . 1 43 GLN C 1 44 THR N 1 44 THR CA 1 44 THR C -158.30 -75.00 -139.13 -148.65 -113.00 . . 0 "[ . 1 . 2 . 3 .]"
64 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 ASP N 112.40 152.50 145.89 139.10 137.34 0.06 3 0 "[ . 1 . 2 . 3 .]"
65 . 1 44 THR C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -150.30 -49.60 -125.59 -138.51 -104.07 . . 0 "[ . 1 . 2 . 3 .]"
66 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 LYS N 93.40 175.20 130.78 120.06 134.65 . . 0 "[ . 1 . 2 . 3 .]"
67 . 1 45 ASP C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -103.00 -63.00 -78.69 -86.60 -71.90 . . 0 "[ . 1 . 2 . 3 .]"
68 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 LEU N 94.90 146.90 125.90 117.02 137.74 . . 0 "[ . 1 . 2 . 3 .]"
69 . 1 46 LYS C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -114.60 -70.80 -101.14 -107.65 -110.49 0.01 33 0 "[ . 1 . 2 . 3 .]"
70 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 ALA N -57.10 -17.10 -47.92 -57.10 -32.07 . . 0 "[ . 1 . 2 . 3 .]"
71 . 1 47 LEU C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -177.60 -137.50 -165.91 -167.37 -167.74 . . 0 "[ . 1 . 2 . 3 .]"
72 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 ALA N 136.70 176.70 171.39 170.46 170.02 0.04 26 0 "[ . 1 . 2 . 3 .]"
73 . 1 48 ALA C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -159.60 -110.60 -158.15 -150.09 -152.85 0.09 5 0 "[ . 1 . 2 . 3 .]"
74 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 PHE N 108.80 172.10 164.40 149.05 172.17 0.07 12 0 "[ . 1 . 2 . 3 .]"
75 . 1 49 ALA C 1 50 PHE N 1 50 PHE CA 1 50 PHE C -164.10 -105.60 -141.21 -138.46 -139.52 0.12 13 0 "[ . 1 . 2 . 3 .]"
76 . 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 PRO N 100.50 166.80 122.03 135.08 130.67 . . 0 "[ . 1 . 2 . 3 .]"
77 . 1 51 PRO C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -145.10 -58.90 -72.92 -145.43 -58.90 0.33 23 0 "[ . 1 . 2 . 3 .]"
78 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 ASP N 94.70 152.80 117.81 128.88 120.63 0.25 30 0 "[ . 1 . 2 . 3 .]"
79 . 1 53 ASP C 1 54 ARG N 1 54 ARG CA 1 54 ARG C -101.60 -42.90 -69.61 -101.73 -53.05 0.13 25 0 "[ . 1 . 2 . 3 .]"
80 . 1 54 ARG N 1 54 ARG CA 1 54 ARG C 1 55 SER N -77.60 14.30 -18.86 -11.20 -14.48 0.08 16 0 "[ . 1 . 2 . 3 .]"
81 . 1 55 SER C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -135.80 -48.40 -99.27 -77.61 -83.35 0.07 12 0 "[ . 1 . 2 . 3 .]"
82 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 PRO N 74.60 -163.30 153.09 158.77 157.06 . . 0 "[ . 1 . 2 . 3 .]"
83 . 1 59 GLN C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -142.90 -53.90 -106.81 -143.05 -67.51 0.15 9 0 "[ . 1 . 2 . 3 .]"
84 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 SER N 55.50 176.80 135.68 126.81 118.61 0.10 3 0 "[ . 1 . 2 . 3 .]"
85 . 1 60 ASP C 1 61 SER N 1 61 SER CA 1 61 SER C -121.90 -45.20 -75.80 -118.10 -59.66 . . 0 "[ . 1 . 2 . 3 .]"
86 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 ARG N -72.10 17.20 -11.46 -9.48 -11.95 . . 0 "[ . 1 . 2 . 3 .]"
87 . 1 62 ARG C 1 63 PHE N 1 63 PHE CA 1 63 PHE C -171.90 -45.20 -92.91 -118.30 -65.03 . . 0 "[ . 1 . 2 . 3 .]"
88 . 1 63 PHE N 1 63 PHE CA 1 63 PHE C 1 64 ARG N 100.80 -165.70 130.76 119.71 117.74 . . 0 "[ . 1 . 2 . 3 .]"
89 . 1 63 PHE C 1 64 ARG N 1 64 ARG CA 1 64 ARG C -144.40 -89.90 -139.85 -144.54 -120.50 0.14 10 0 "[ . 1 . 2 . 3 .]"
90 . 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1 65 VAL N 103.50 161.30 147.14 143.12 141.31 . . 0 "[ . 1 . 2 . 3 .]"
91 . 1 64 ARG C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -126.50 -86.50 -123.02 -126.62 -107.30 0.12 19 0 "[ . 1 . 2 . 3 .]"
92 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 THR N 102.50 142.50 130.29 123.21 140.39 . . 0 "[ . 1 . 2 . 3 .]"
93 . 1 65 VAL C 1 66 THR N 1 66 THR CA 1 66 THR C -130.50 -90.50 -127.96 -130.63 -114.54 0.13 12 0 "[ . 1 . 2 . 3 .]"
94 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 GLN N 107.20 147.20 132.23 126.06 138.76 . . 0 "[ . 1 . 2 . 3 .]"
95 . 1 66 THR C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -129.60 -76.30 -83.11 -88.17 -92.70 0.12 9 0 "[ . 1 . 2 . 3 .]"
96 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 LEU N 100.50 141.70 137.94 133.97 126.97 0.23 25 0 "[ . 1 . 2 . 3 .]"
97 . 1 67 GLN C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -148.20 -28.70 -89.56 -85.48 -86.63 . . 0 "[ . 1 . 2 . 3 .]"
98 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 PRO N 89.50 -165.60 158.90 158.92 158.72 . . 0 "[ . 1 . 2 . 3 .]"
99 . 1 69 PRO C 1 70 ASN N 1 70 ASN CA 1 70 ASN C -118.30 -49.90 -65.57 -63.52 -64.31 . . 0 "[ . 1 . 2 . 3 .]"
100 . 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 GLY N -26.00 18.70 -19.60 -26.16 -6.00 0.16 9 0 "[ . 1 . 2 . 3 .]"
101 . 1 70 ASN C 1 71 GLY N 1 71 GLY CA 1 71 GLY C 67.00 108.00 91.35 78.25 108.03 0.03 8 0 "[ . 1 . 2 . 3 .]"
102 . 1 71 GLY N 1 71 GLY CA 1 71 GLY C 1 72 ARG N -34.00 44.40 -27.36 -27.27 -31.92 0.33 24 0 "[ . 1 . 2 . 3 .]"
103 . 1 71 GLY C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -154.50 -53.60 -142.63 -154.63 -111.53 0.13 11 0 "[ . 1 . 2 . 3 .]"
104 . 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 ASP N 73.80 -146.20 73.58 73.28 73.76 0.52 8 0 "[ . 1 . 2 . 3 .]"
105 . 1 72 ARG C 1 73 ASP N 1 73 ASP CA 1 73 ASP C 167.50 -58.50 -171.10 174.12 -151.83 . . 0 "[ . 1 . 2 . 3 .]"
106 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 PHE N 133.80 173.80 141.68 140.60 140.38 . . 0 "[ . 1 . 2 . 3 .]"
107 . 1 73 ASP C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -150.10 -91.60 -144.94 -141.58 -142.33 . . 0 "[ . 1 . 2 . 3 .]"
108 . 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 HIS N 100.10 171.20 146.55 136.83 135.17 . . 0 "[ . 1 . 2 . 3 .]"
109 . 1 74 PHE C 1 75 HIS N 1 75 HIS CA 1 75 HIS C -148.30 -83.80 -105.01 -118.98 -90.99 . . 0 "[ . 1 . 2 . 3 .]"
110 . 1 75 HIS N 1 75 HIS CA 1 75 HIS C 1 76 MET N 106.60 149.50 130.97 121.22 117.60 . . 0 "[ . 1 . 2 . 3 .]"
111 . 1 75 HIS C 1 76 MET N 1 76 MET CA 1 76 MET C -141.30 -35.40 -113.96 -132.94 -84.23 . . 0 "[ . 1 . 2 . 3 .]"
112 . 1 76 MET N 1 76 MET CA 1 76 MET C 1 77 SER N 79.10 167.20 114.09 101.82 144.04 . . 0 "[ . 1 . 2 . 3 .]"
113 . 1 76 MET C 1 77 SER N 1 77 SER CA 1 77 SER C -151.30 -84.70 -121.27 -110.98 -112.83 0.06 3 0 "[ . 1 . 2 . 3 .]"
114 . 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 VAL N 106.40 160.80 132.67 121.88 151.77 . . 0 "[ . 1 . 2 . 3 .]"
115 . 1 77 SER C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -141.00 -73.60 -99.59 -125.09 -87.93 . . 0 "[ . 1 . 2 . 3 .]"
116 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 VAL N 82.00 173.40 108.41 98.88 93.57 . . 0 "[ . 1 . 2 . 3 .]"
117 . 1 78 VAL C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -168.80 -36.80 -76.49 -96.57 -64.84 . . 0 "[ . 1 . 2 . 3 .]"
118 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 ARG N 112.50 -176.80 126.23 123.44 121.48 0.02 28 0 "[ . 1 . 2 . 3 .]"
119 . 1 79 VAL C 1 80 ARG N 1 80 ARG CA 1 80 ARG C 33.70 73.70 54.52 39.70 63.07 . . 0 "[ . 1 . 2 . 3 .]"
120 . 1 80 ARG N 1 80 ARG CA 1 80 ARG C 1 81 ALA N -10.40 95.10 64.31 45.78 84.96 . . 0 "[ . 1 . 2 . 3 .]"
121 . 1 80 ARG C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -151.90 -11.90 -68.78 -74.35 -79.97 . . 0 "[ . 1 . 2 . 3 .]"
122 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 ARG N 95.70 177.30 138.05 118.23 158.96 . . 0 "[ . 1 . 2 . 3 .]"
123 . 1 81 ALA C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -151.60 -61.60 -112.19 -111.49 -111.98 . . 0 "[ . 1 . 2 . 3 .]"
124 . 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 ARG N 144.70 -175.30 163.48 151.83 170.05 . . 0 "[ . 1 . 2 . 3 .]"
125 . 1 82 ARG C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -79.40 -39.40 -54.93 -61.84 -47.48 . . 0 "[ . 1 . 2 . 3 .]"
126 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 ASN N -54.40 -13.60 -30.00 -32.99 -33.88 . . 0 "[ . 1 . 2 . 3 .]"
127 . 1 83 ARG C 1 84 ASN N 1 84 ASN CA 1 84 ASN C -88.40 -48.40 -62.20 -71.72 -48.43 . . 0 "[ . 1 . 2 . 3 .]"
128 . 1 84 ASN N 1 84 ASN CA 1 84 ASN C 1 85 ASP N -50.80 2.20 -23.09 -16.72 -18.54 . . 0 "[ . 1 . 2 . 3 .]"
129 . 1 84 ASN C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -119.50 -55.30 -82.22 -79.73 -80.28 . . 0 "[ . 1 . 2 . 3 .]"
130 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 SER N -56.10 46.90 -14.66 -27.37 -1.22 . . 0 "[ . 1 . 2 . 3 .]"
131 . 1 86 SER C 1 87 GLY N 1 87 GLY CA 1 87 GLY C 121.30 -98.70 154.58 143.42 165.96 . . 0 "[ . 1 . 2 . 3 .]"
132 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 THR N 96.60 -137.30 -166.71 -169.12 -169.20 . . 0 "[ . 1 . 2 . 3 .]"
133 . 1 87 GLY C 1 88 THR N 1 88 THR CA 1 88 THR C -139.60 -54.60 -93.98 -107.87 -88.90 . . 0 "[ . 1 . 2 . 3 .]"
134 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 TYR N 112.00 152.00 142.54 143.01 142.71 . . 0 "[ . 1 . 2 . 3 .]"
135 . 1 88 THR C 1 89 TYR N 1 89 TYR CA 1 89 TYR C -163.40 -80.50 -139.42 -147.41 -132.15 . . 0 "[ . 1 . 2 . 3 .]"
136 . 1 89 TYR N 1 89 TYR CA 1 89 TYR C 1 90 LEU N 137.30 -165.10 158.77 157.19 156.92 . . 0 "[ . 1 . 2 . 3 .]"
137 . 1 90 LEU C 1 91 CYS N 1 91 CYS CA 1 91 CYS C 160.50 -84.20 -104.44 -104.68 -107.06 0.04 15 0 "[ . 1 . 2 . 3 .]"
138 . 1 91 CYS N 1 91 CYS CA 1 91 CYS C 1 92 GLY N 125.20 -162.10 155.16 135.89 170.76 . . 0 "[ . 1 . 2 . 3 .]"
139 . 1 91 CYS C 1 92 GLY N 1 92 GLY CA 1 92 GLY C 169.60 -102.90 -152.68 -150.66 -151.77 . . 0 "[ . 1 . 2 . 3 .]"
140 . 1 92 GLY N 1 92 GLY CA 1 92 GLY C 1 93 ALA N 77.20 -149.20 141.82 115.60 175.26 . . 0 "[ . 1 . 2 . 3 .]"
141 . 1 92 GLY C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -158.50 -85.40 -117.27 -138.13 -143.90 0.04 6 0 "[ . 1 . 2 . 3 .]"
142 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 ILE N 119.20 159.20 154.19 126.78 159.26 0.06 9 0 "[ . 1 . 2 . 3 .]"
143 . 1 93 ALA C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -161.30 -83.10 -148.36 -154.43 -155.68 . . 0 "[ . 1 . 2 . 3 .]"
144 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 SER N 100.70 150.40 135.64 130.19 147.97 . . 0 "[ . 1 . 2 . 3 .]"
145 . 1 94 ILE C 1 95 SER N 1 95 SER CA 1 95 SER C -111.20 -60.70 -68.96 -81.11 -61.22 . . 0 "[ . 1 . 2 . 3 .]"
146 . 1 95 SER N 1 95 SER CA 1 95 SER C 1 96 LEU N 81.80 161.50 159.74 150.73 161.64 0.14 13 0 "[ . 1 . 2 . 3 .]"
147 . 1 96 LEU C 1 97 ALA N 1 97 ALA CA 1 97 ALA C -110.10 -32.90 -71.93 -81.73 -61.81 . . 0 "[ . 1 . 2 . 3 .]"
148 . 1 97 ALA N 1 97 ALA CA 1 97 ALA C 1 98 PRO N 110.40 167.70 146.34 127.88 157.23 . . 0 "[ . 1 . 2 . 3 .]"
149 . 1 98 PRO C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -101.40 -47.80 -82.46 -77.37 -78.30 . . 0 "[ . 1 . 2 . 3 .]"
150 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 ALA N -39.20 13.30 -0.34 -16.14 13.36 0.06 26 0 "[ . 1 . 2 . 3 .]"
151 . 1 100 ALA C 1 101 GLN N 1 101 GLN CA 1 101 GLN C -163.90 -64.60 -144.02 -145.34 -145.77 . . 0 "[ . 1 . 2 . 3 .]"
152 . 1 101 GLN N 1 101 GLN CA 1 101 GLN C 1 102 ILE N 122.20 179.90 155.25 161.30 159.15 . . 0 "[ . 1 . 2 . 3 .]"
153 . 1 101 GLN C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -155.30 -39.50 -75.27 -79.27 -80.68 . . 0 "[ . 1 . 2 . 3 .]"
154 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 LYS N 85.70 168.70 123.29 107.60 140.50 . . 0 "[ . 1 . 2 . 3 .]"
155 . 1 102 ILE C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -161.70 -51.60 -92.14 -91.41 -92.72 . . 0 "[ . 1 . 2 . 3 .]"
156 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 GLU N 88.50 -179.70 119.19 126.93 124.73 0.13 15 0 "[ . 1 . 2 . 3 .]"
157 . 1 103 LYS C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -147.70 -54.20 -105.18 -147.74 -69.97 0.04 4 0 "[ . 1 . 2 . 3 .]"
158 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 SER N 117.30 158.70 149.42 151.81 151.01 0.19 11 0 "[ . 1 . 2 . 3 .]"
159 . 1 104 GLU C 1 105 SER N 1 105 SER CA 1 105 SER C -173.40 -55.50 -108.67 -173.35 -81.42 . . 0 "[ . 1 . 2 . 3 .]"
160 . 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 LEU N 143.50 -163.90 178.23 143.51 -163.88 0.02 17 0 "[ . 1 . 2 . 3 .]"
161 . 1 107 ARG C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -155.90 -115.90 -128.43 -147.79 -115.84 0.06 18 0 "[ . 1 . 2 . 3 .]"
162 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 GLU N 129.60 169.60 164.14 168.21 167.16 0.08 27 0 "[ . 1 . 2 . 3 .]"
163 . 1 108 ALA C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -154.20 -90.10 -119.00 -136.51 -93.00 . . 0 "[ . 1 . 2 . 3 .]"
164 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 LEU N 113.10 153.10 142.43 141.39 140.35 . . 0 "[ . 1 . 2 . 3 .]"
165 . 1 109 GLU C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -131.10 -89.00 -110.27 -103.66 -106.14 . . 0 "[ . 1 . 2 . 3 .]"
166 . 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 ARG N 103.10 143.40 132.98 135.91 135.11 . . 0 "[ . 1 . 2 . 3 .]"
167 . 1 110 LEU C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -164.90 -101.70 -124.73 -132.02 -133.78 . . 0 "[ . 1 . 2 . 3 .]"
168 . 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 VAL N 91.20 165.80 118.43 115.92 113.23 . . 0 "[ . 1 . 2 . 3 .]"
169 . 1 111 ARG C 1 112 VAL N 1 112 VAL CA 1 112 VAL C -145.20 -82.10 -103.27 -106.46 -106.85 . . 0 "[ . 1 . 2 . 3 .]"
170 . 1 112 VAL N 1 112 VAL CA 1 112 VAL C 1 113 THR N 87.60 158.80 117.00 113.09 112.81 . . 0 "[ . 1 . 2 . 3 .]"
171 . 1 112 VAL C 1 113 THR N 1 113 THR CA 1 113 THR C -165.70 -60.40 -95.72 -101.98 -86.69 . . 0 "[ . 1 . 2 . 3 .]"
172 . 1 113 THR N 1 113 THR CA 1 113 THR C 1 114 GLU N 119.40 -173.60 151.56 160.69 160.43 . . 0 "[ . 1 . 2 . 3 .]"
173 . 1 113 THR C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -137.60 -43.50 -61.47 -60.02 -61.96 . . 0 "[ . 1 . 2 . 3 .]"
174 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 ARG N 101.80 -179.40 146.63 144.32 142.91 . . 0 "[ . 1 . 2 . 3 .]"
175 . 1 114 GLU C 1 115 ARG N 1 115 ARG CA 1 115 ARG C -126.60 -46.90 -73.55 -94.26 -58.27 . . 0 "[ . 1 . 2 . 3 .]"
176 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C 1 116 ARG N 97.20 166.90 119.23 118.12 117.35 . . 0 "[ . 1 . 2 . 3 .]"
177 . 1 115 ARG C 1 116 ARG N 1 116 ARG CA 1 116 ARG C -143.20 -43.40 -78.69 -143.22 -62.39 0.02 11 0 "[ . 1 . 2 . 3 .]"
178 . 1 116 ARG N 1 116 ARG CA 1 116 ARG C 1 117 ALA N 90.20 167.60 153.20 138.85 167.61 0.01 7 0 "[ . 1 . 2 . 3 .]"
179 . 1 116 ARG C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -105.40 -50.30 -72.06 -76.32 -79.21 . . 0 "[ . 1 . 2 . 3 .]"
180 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 GLU N 95.80 154.30 150.65 149.42 145.41 0.11 32 0 "[ . 1 . 2 . 3 .]"
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