NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
514457 |
2lf2   |
17736 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lf2
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 214
_TA_constraint_stats_list.Viol_count 108
_TA_constraint_stats_list.Viol_total 2075.75
_TA_constraint_stats_list.Viol_max 3.19
_TA_constraint_stats_list.Viol_rms 0.20
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 0.96
_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 5 LEU C 1 6 ALA N 1 6 ALA CA 1 6 ALA C -158.50 -18.50 -96.54 -128.16 -70.36 . . 0 "[ . 1 . 2]"
2 . 1 6 ALA N 1 6 ALA CA 1 6 ALA C 1 7 LEU N 69.90 -170.10 131.58 115.01 145.34 . . 0 "[ . 1 . 2]"
3 . 1 6 ALA C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -154.90 -80.50 -120.31 -123.47 -126.87 . . 0 "[ . 1 . 2]"
4 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 ASP N 112.60 152.60 124.38 124.46 122.59 . . 0 "[ . 1 . 2]"
5 . 1 7 LEU C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -162.30 -73.90 -146.35 -154.56 -134.92 . . 0 "[ . 1 . 2]"
6 . 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 PHE N 104.40 146.40 129.16 111.34 147.22 0.82 16 0 "[ . 1 . 2]"
7 . 1 8 ASP C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -144.60 -74.60 -129.65 -140.36 -142.19 0.47 1 0 "[ . 1 . 2]"
8 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 SER N 107.60 147.60 137.39 121.73 149.52 1.92 1 0 "[ . 1 . 2]"
9 . 1 9 PHE C 1 10 SER N 1 10 SER CA 1 10 SER C -146.90 -72.90 -139.95 -148.13 -128.83 1.23 2 0 "[ . 1 . 2]"
10 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 VAL N 103.90 143.90 138.41 140.75 139.50 2.09 10 0 "[ . 1 . 2]"
11 . 1 10 SER C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -135.00 -88.20 -121.19 -124.29 -125.13 . . 0 "[ . 1 . 2]"
12 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 ASN N 108.50 148.50 131.44 127.74 135.91 . . 0 "[ . 1 . 2]"
13 . 1 11 VAL C 1 12 ASN N 1 12 ASN CA 1 12 ASN C -132.80 -68.40 -110.18 -110.92 -111.66 . . 0 "[ . 1 . 2]"
14 . 1 12 ASN N 1 12 ASN CA 1 12 ASN C 1 13 LYS N 48.30 170.30 94.06 84.09 102.67 . . 0 "[ . 1 . 2]"
15 . 1 16 LYS C 1 17 THR N 1 17 THR CA 1 17 THR C -156.20 -83.40 -135.53 -150.57 -127.32 . . 0 "[ . 1 . 2]"
16 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 ILE N 127.40 -179.80 160.06 157.78 156.52 . . 0 "[ . 1 . 2]"
17 . 1 17 THR C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -168.70 -96.50 -117.88 -122.14 -125.33 . . 0 "[ . 1 . 2]"
18 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 THR N 103.50 147.70 128.10 128.41 127.71 . . 0 "[ . 1 . 2]"
19 . 1 18 ILE C 1 19 THR N 1 19 THR CA 1 19 THR C -140.50 -74.30 -118.26 -125.74 -109.27 . . 0 "[ . 1 . 2]"
20 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 ILE N 105.40 145.40 121.27 124.97 122.67 . . 0 "[ . 1 . 2]"
21 . 1 19 THR C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -139.60 -99.60 -123.21 -132.83 -114.32 . . 0 "[ . 1 . 2]"
22 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 LYS N 105.00 155.80 130.51 128.99 127.92 . . 0 "[ . 1 . 2]"
23 . 1 20 ILE C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -142.40 -94.00 -122.01 -114.87 -116.89 . . 0 "[ . 1 . 2]"
24 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ARG N 107.10 156.10 130.99 106.81 141.81 0.29 17 0 "[ . 1 . 2]"
25 . 1 21 LYS C 1 22 ARG N 1 22 ARG CA 1 22 ARG C -145.50 -101.10 -142.64 -146.35 -138.67 0.85 17 0 "[ . 1 . 2]"
26 . 1 22 ARG N 1 22 ARG CA 1 22 ARG C 1 23 GLU N 112.70 169.70 149.21 142.15 164.59 . . 0 "[ . 1 . 2]"
27 . 1 22 ARG C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -164.40 -97.60 -122.75 -123.33 -124.10 . . 0 "[ . 1 . 2]"
28 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 PHE N 104.90 -178.90 135.15 134.25 132.95 . . 0 "[ . 1 . 2]"
29 . 1 23 GLU C 1 24 PHE N 1 24 PHE CA 1 24 PHE C 157.20 -62.80 -128.59 -132.24 -125.32 . . 0 "[ . 1 . 2]"
30 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 ALA N 93.90 179.70 146.64 135.61 153.64 . . 0 "[ . 1 . 2]"
31 . 1 27 VAL C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -78.00 -38.00 -62.50 -65.95 -60.35 . . 0 "[ . 1 . 2]"
32 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 ALA N -63.40 -23.40 -34.26 -41.30 -20.89 2.51 12 0 "[ . 1 . 2]"
33 . 1 28 ARG C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -76.80 -36.80 -57.34 -56.71 -57.07 . . 0 "[ . 1 . 2]"
34 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 ILE N -63.10 -23.10 -50.08 -51.43 -52.03 . . 0 "[ . 1 . 2]"
35 . 1 29 ALA C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -87.40 -47.40 -65.08 -66.09 -66.29 . . 0 "[ . 1 . 2]"
36 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 VAL N -60.70 -20.70 -44.16 -49.15 -42.95 . . 0 "[ . 1 . 2]"
37 . 1 30 ILE C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -83.30 -43.30 -63.19 -65.40 -60.37 . . 0 "[ . 1 . 2]"
38 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 TRP N -65.20 -25.20 -45.77 -47.63 -44.15 . . 0 "[ . 1 . 2]"
39 . 1 31 VAL C 1 32 TRP N 1 32 TRP CA 1 32 TRP C -79.20 -39.20 -62.33 -69.14 -58.51 . . 0 "[ . 1 . 2]"
40 . 1 32 TRP N 1 32 TRP CA 1 32 TRP C 1 33 GLU N -60.50 -20.50 -41.40 -40.84 -41.17 . . 0 "[ . 1 . 2]"
41 . 1 32 TRP C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -85.70 -45.70 -63.33 -58.37 -59.86 . . 0 "[ . 1 . 2]"
42 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 ALA N -58.10 -18.10 -36.86 -41.99 -24.85 . . 0 "[ . 1 . 2]"
43 . 1 33 GLU C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -92.70 -51.70 -72.27 -82.86 -63.80 . . 0 "[ . 1 . 2]"
44 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 PHE N -54.90 -9.30 -21.86 -38.80 -9.17 0.13 17 0 "[ . 1 . 2]"
45 . 1 34 ALA C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -103.80 -50.40 -95.76 -83.74 -88.99 1.31 8 0 "[ . 1 . 2]"
46 . 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 THR N -58.10 -1.30 -12.70 -30.71 -1.87 . . 0 "[ . 1 . 2]"
47 . 1 37 ARG C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -78.10 -38.10 -64.34 -69.73 -55.19 . . 0 "[ . 1 . 2]"
48 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 GLU N -58.50 -13.70 -33.73 -37.17 -27.92 . . 0 "[ . 1 . 2]"
49 . 1 38 ALA C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -77.50 -37.50 -58.70 -58.15 -58.95 . . 0 "[ . 1 . 2]"
50 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 ILE N -65.70 -6.50 -52.49 -60.24 -46.58 . . 0 "[ . 1 . 2]"
51 . 1 39 GLU C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -89.20 -49.20 -64.49 -63.32 -63.77 . . 0 "[ . 1 . 2]"
52 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 LEU N -57.50 -17.50 -42.37 -41.91 -42.32 . . 0 "[ . 1 . 2]"
53 . 1 40 ILE C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -81.20 -41.20 -60.82 -61.04 -61.47 . . 0 "[ . 1 . 2]"
54 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ASP N -67.70 -27.70 -42.06 -50.46 -29.71 . . 0 "[ . 1 . 2]"
55 . 1 41 LEU C 1 42 ASP N 1 42 ASP CA 1 42 ASP C -84.00 -44.00 -67.78 -81.17 -58.33 . . 0 "[ . 1 . 2]"
56 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 GLN N -69.10 -1.50 -27.27 -38.69 -8.13 . . 0 "[ . 1 . 2]"
57 . 1 42 ASP C 1 43 GLN N 1 43 GLN CA 1 43 GLN C -94.00 -49.00 -60.37 -54.31 -54.52 1.35 20 0 "[ . 1 . 2]"
58 . 1 43 GLN N 1 43 GLN CA 1 43 GLN C 1 44 TRP N -49.00 -9.00 -33.81 -42.15 -43.28 0.86 12 0 "[ . 1 . 2]"
59 . 1 50 TRP C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -176.10 -85.50 -137.20 -129.94 -135.36 . . 0 "[ . 1 . 2]"
60 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 ALA N 113.90 153.90 128.74 138.78 134.96 0.01 20 0 "[ . 1 . 2]"
61 . 1 51 LYS C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -129.80 -78.00 -113.51 -129.90 -98.47 0.10 5 0 "[ . 1 . 2]"
62 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 LYS N 102.50 150.10 142.02 137.28 135.72 1.16 3 0 "[ . 1 . 2]"
63 . 1 52 ALA C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -152.80 -98.60 -134.59 -123.44 -131.24 . . 0 "[ . 1 . 2]"
64 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 THR N 107.50 147.50 111.44 106.17 126.01 1.33 19 0 "[ . 1 . 2]"
65 . 1 53 LYS C 1 54 THR N 1 54 THR CA 1 54 THR C -138.50 1.50 -78.65 -79.61 -80.88 . . 0 "[ . 1 . 2]"
66 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 LYS N 63.80 -157.20 121.35 120.20 118.64 . . 0 "[ . 1 . 2]"
67 . 1 55 LYS C 1 56 SER N 1 56 SER CA 1 56 SER C -172.90 -131.10 -161.48 -172.99 -135.16 0.09 5 0 "[ . 1 . 2]"
68 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 MET N 122.00 162.00 153.89 139.86 162.24 0.24 10 0 "[ . 1 . 2]"
69 . 1 56 SER C 1 57 MET N 1 57 MET CA 1 57 MET C -179.60 -79.40 -147.27 -114.22 -126.74 . . 0 "[ . 1 . 2]"
70 . 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 ASP N 106.90 146.90 123.03 133.09 126.13 0.32 1 0 "[ . 1 . 2]"
71 . 1 62 GLY C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -158.80 -41.20 -71.78 -69.02 -70.32 . . 0 "[ . 1 . 2]"
72 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 THR N 94.90 -152.70 161.33 151.83 177.67 . . 0 "[ . 1 . 2]"
73 . 1 63 GLY C 1 64 THR N 1 64 THR CA 1 64 THR C -151.00 -105.40 -136.42 -147.79 -129.80 . . 0 "[ . 1 . 2]"
74 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 TRP N 126.70 166.70 159.07 160.18 159.86 . . 0 "[ . 1 . 2]"
75 . 1 64 THR C 1 65 TRP N 1 65 TRP CA 1 65 TRP C -162.30 -85.90 -125.51 -122.38 -122.60 . . 0 "[ . 1 . 2]"
76 . 1 65 TRP N 1 65 TRP CA 1 65 TRP C 1 66 LEU N 96.80 147.00 112.10 103.23 125.16 . . 0 "[ . 1 . 2]"
77 . 1 65 TRP C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -140.20 -83.00 -108.95 -109.91 -110.09 . . 0 "[ . 1 . 2]"
78 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 TYR N 111.00 151.00 125.58 114.86 129.22 . . 0 "[ . 1 . 2]"
79 . 1 66 LEU C 1 67 TYR N 1 67 TYR CA 1 67 TYR C 174.60 -103.20 -141.69 -151.23 -116.11 . . 0 "[ . 1 . 2]"
80 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 ALA N 143.00 -177.00 153.49 141.71 160.88 1.29 11 0 "[ . 1 . 2]"
81 . 1 67 TYR C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -156.30 -74.30 -125.32 -132.01 -134.62 . . 0 "[ . 1 . 2]"
82 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 MET N 121.10 168.10 131.29 122.33 143.53 . . 0 "[ . 1 . 2]"
83 . 1 68 ALA C 1 69 MET N 1 69 MET CA 1 69 MET C -151.30 -73.50 -103.98 -141.94 -90.16 . . 0 "[ . 1 . 2]"
84 . 1 69 MET N 1 69 MET CA 1 69 MET C 1 70 VAL N 93.30 160.30 127.03 105.89 146.97 . . 0 "[ . 1 . 2]"
85 . 1 69 MET C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -142.00 -77.60 -111.95 -123.86 -81.84 . . 0 "[ . 1 . 2]"
86 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 GLY N 89.40 156.20 129.83 130.21 129.69 . . 0 "[ . 1 . 2]"
87 . 1 75 GLU C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -142.20 -100.40 -127.15 -123.59 -129.27 0.26 8 0 "[ . 1 . 2]"
88 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 HIS N 111.00 172.20 136.87 118.40 156.99 . . 0 "[ . 1 . 2]"
89 . 1 76 GLU C 1 77 HIS N 1 77 HIS CA 1 77 HIS C -141.30 -78.10 -123.20 -122.64 -130.88 0.90 8 0 "[ . 1 . 2]"
90 . 1 77 HIS N 1 77 HIS CA 1 77 HIS C 1 78 TRP N 103.60 151.40 127.58 112.92 148.64 . . 0 "[ . 1 . 2]"
91 . 1 77 HIS C 1 78 TRP N 1 78 TRP CA 1 78 TRP C -153.20 -81.20 -109.30 -109.77 -110.88 . . 0 "[ . 1 . 2]"
92 . 1 78 TRP N 1 78 TRP CA 1 78 TRP C 1 79 SER N 112.80 152.80 144.67 135.50 151.52 . . 0 "[ . 1 . 2]"
93 . 1 78 TRP C 1 79 SER N 1 79 SER CA 1 79 SER C -164.80 -83.20 -149.88 -157.97 -130.11 . . 0 "[ . 1 . 2]"
94 . 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 ILE N 136.10 176.10 152.97 154.72 153.31 . . 0 "[ . 1 . 2]"
95 . 1 79 SER C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -156.60 -114.00 -138.54 -144.97 -133.30 . . 0 "[ . 1 . 2]"
96 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 CYS N 122.40 162.40 141.28 142.98 142.74 . . 0 "[ . 1 . 2]"
97 . 1 80 ILE C 1 81 CYS N 1 81 CYS CA 1 81 CYS C -148.30 -90.90 -122.70 -132.06 -106.21 . . 0 "[ . 1 . 2]"
98 . 1 81 CYS N 1 81 CYS CA 1 81 CYS C 1 82 GLU N 104.30 144.30 131.34 108.98 145.11 0.81 7 0 "[ . 1 . 2]"
99 . 1 81 CYS C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -141.70 -85.70 -111.81 -114.08 -116.40 . . 0 "[ . 1 . 2]"
100 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 TYR N 108.80 153.40 123.97 123.43 122.06 . . 0 "[ . 1 . 2]"
101 . 1 82 GLU C 1 83 TYR N 1 83 TYR CA 1 83 TYR C -112.90 -61.10 -82.73 -82.29 -82.58 . . 0 "[ . 1 . 2]"
102 . 1 83 TYR N 1 83 TYR CA 1 83 TYR C 1 84 ALA N 106.70 146.70 134.13 125.72 140.43 . . 0 "[ . 1 . 2]"
103 . 1 90 GLU C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -161.20 -103.00 -148.11 -149.96 -150.91 1.73 11 0 "[ . 1 . 2]"
104 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 PHE N 102.10 162.90 145.26 125.61 161.03 . . 0 "[ . 1 . 2]"
105 . 1 91 ARG C 1 92 PHE N 1 92 PHE CA 1 92 PHE C -170.30 -102.30 -146.70 -135.18 -151.57 . . 0 "[ . 1 . 2]"
106 . 1 92 PHE N 1 92 PHE CA 1 92 PHE C 1 93 THR N 108.80 -178.00 156.14 140.71 172.56 . . 0 "[ . 1 . 2]"
107 . 1 92 PHE C 1 93 THR N 1 93 THR CA 1 93 THR C -166.00 -103.60 -134.25 -148.89 -107.05 . . 0 "[ . 1 . 2]"
108 . 1 93 THR N 1 93 THR CA 1 93 THR C 1 94 GLY N 120.70 -177.90 163.43 156.66 169.90 . . 0 "[ . 1 . 2]"
109 . 1 93 THR C 1 94 GLY N 1 94 GLY CA 1 94 GLY C 164.70 -145.10 -168.80 168.01 -147.87 . . 0 "[ . 1 . 2]"
110 . 1 94 GLY N 1 94 GLY CA 1 94 GLY C 1 95 LYS N 144.00 -155.40 -168.81 171.62 -155.58 . . 0 "[ . 1 . 2]"
111 . 1 94 GLY C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -159.40 -99.00 -132.67 -134.03 -135.02 . . 0 "[ . 1 . 2]"
112 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 ASP N 117.80 157.80 143.14 126.32 153.62 . . 0 "[ . 1 . 2]"
113 . 1 95 LYS C 1 96 ASP N 1 96 ASP CA 1 96 ASP C -164.40 -84.00 -122.19 -108.30 -112.29 . . 0 "[ . 1 . 2]"
114 . 1 96 ASP N 1 96 ASP CA 1 96 ASP C 1 97 GLY N 111.40 167.80 143.64 111.55 169.92 2.12 12 0 "[ . 1 . 2]"
115 . 1 96 ASP C 1 97 GLY N 1 97 GLY CA 1 97 GLY C 158.60 -118.00 -147.14 177.45 -114.81 3.19 6 0 "[ . 1 . 2]"
116 . 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 PHE N 140.40 -175.00 154.94 140.00 139.47 1.14 6 0 "[ . 1 . 2]"
117 . 1 97 GLY C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -145.00 -67.80 -84.73 -122.79 -71.92 . . 0 "[ . 1 . 2]"
118 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 THR N 114.70 174.10 147.05 125.58 157.69 . . 0 "[ . 1 . 2]"
119 . 1 98 PHE C 1 99 THR N 1 99 THR CA 1 99 THR C -169.70 -96.10 -131.12 -129.53 -130.35 . . 0 "[ . 1 . 2]"
120 . 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 ASP N 135.20 -178.80 156.80 140.92 172.53 . . 0 "[ . 1 . 2]"
121 . 1 111 ARG C 1 112 SER N 1 112 SER CA 1 112 SER C -178.20 -106.00 -140.86 -172.82 -123.57 . . 0 "[ . 1 . 2]"
122 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 ASN N 130.70 175.10 152.47 131.66 173.93 . . 0 "[ . 1 . 2]"
123 . 1 112 SER C 1 113 ASN N 1 113 ASN CA 1 113 ASN C -169.00 -71.80 -106.21 -96.07 -98.42 . . 0 "[ . 1 . 2]"
124 . 1 113 ASN N 1 113 ASN CA 1 113 ASN C 1 114 TRP N 96.80 175.60 137.73 110.85 155.46 . . 0 "[ . 1 . 2]"
125 . 1 113 ASN C 1 114 TRP N 1 114 TRP CA 1 114 TRP C -146.10 -68.90 -132.67 -108.16 -127.35 . . 0 "[ . 1 . 2]"
126 . 1 114 TRP N 1 114 TRP CA 1 114 TRP C 1 115 ASP N 101.10 163.70 108.12 133.71 115.30 1.13 4 0 "[ . 1 . 2]"
127 . 1 114 TRP C 1 115 ASP N 1 115 ASP CA 1 115 ASP C -141.90 -72.70 -106.86 -141.69 -83.22 . . 0 "[ . 1 . 2]"
128 . 1 115 ASP N 1 115 ASP CA 1 115 ASP C 1 116 MET N 99.50 139.50 125.98 106.85 138.88 . . 0 "[ . 1 . 2]"
129 . 1 115 ASP C 1 116 MET N 1 116 MET CA 1 116 MET C -154.80 -78.00 -105.52 -107.19 -108.34 . . 0 "[ . 1 . 2]"
130 . 1 116 MET N 1 116 MET CA 1 116 MET C 1 117 ARG N 96.70 -179.10 134.60 135.46 133.29 . . 0 "[ . 1 . 2]"
131 . 1 116 MET C 1 117 ARG N 1 117 ARG CA 1 117 ARG C -163.90 -97.10 -126.13 -122.77 -125.24 . . 0 "[ . 1 . 2]"
132 . 1 117 ARG N 1 117 ARG CA 1 117 ARG C 1 118 PHE N 117.60 178.80 131.75 120.77 144.78 . . 0 "[ . 1 . 2]"
133 . 1 117 ARG C 1 118 PHE N 1 118 PHE CA 1 118 PHE C -164.80 -82.20 -116.22 -111.04 -113.43 . . 0 "[ . 1 . 2]"
134 . 1 118 PHE N 1 118 PHE CA 1 118 PHE C 1 119 ILE N 99.40 140.00 124.59 124.10 121.07 . . 0 "[ . 1 . 2]"
135 . 1 118 PHE C 1 119 ILE N 1 119 ILE CA 1 119 ILE C -131.00 -91.00 -117.97 -127.91 -107.29 . . 0 "[ . 1 . 2]"
136 . 1 119 ILE N 1 119 ILE CA 1 119 ILE C 1 120 ASP N 101.20 145.80 126.13 127.08 126.44 . . 0 "[ . 1 . 2]"
137 . 1 119 ILE C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -131.60 -54.20 -90.75 -96.21 -98.67 . . 0 "[ . 1 . 2]"
138 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 LYS N 91.30 149.90 122.60 127.77 122.77 0.30 18 0 "[ . 1 . 2]"
139 . 1 120 ASP C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -156.70 -59.70 -120.33 -145.97 -88.76 . . 0 "[ . 1 . 2]"
140 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 GLY N 59.80 162.00 70.24 86.16 78.80 1.14 12 0 "[ . 1 . 2]"
141 . 1 123 GLU C 1 124 ILE N 1 124 ILE CA 1 124 ILE C 175.80 -88.00 -114.73 -114.63 -115.66 . . 0 "[ . 1 . 2]"
142 . 1 124 ILE N 1 124 ILE CA 1 124 ILE C 1 125 THR N 125.70 166.70 133.81 130.17 129.62 . . 0 "[ . 1 . 2]"
143 . 1 124 ILE C 1 125 THR N 1 125 THR CA 1 125 THR C -165.90 -75.70 -110.78 -102.20 -102.47 . . 0 "[ . 1 . 2]"
144 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 GLU N 93.80 170.20 135.63 130.10 160.97 . . 0 "[ . 1 . 2]"
145 . 1 125 THR C 1 126 GLU N 1 126 GLU CA 1 126 GLU C -162.90 -82.10 -115.57 -114.96 -116.76 . . 0 "[ . 1 . 2]"
146 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C 1 127 VAL N 106.90 148.10 131.36 114.22 141.21 . . 0 "[ . 1 . 2]"
147 . 1 126 GLU C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -143.20 -91.60 -116.50 -122.26 -123.30 . . 0 "[ . 1 . 2]"
148 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 GLN N 109.50 152.10 133.53 130.32 135.14 . . 0 "[ . 1 . 2]"
149 . 1 127 VAL C 1 128 GLN N 1 128 GLN CA 1 128 GLN C -136.60 -88.80 -120.02 -115.72 -116.57 . . 0 "[ . 1 . 2]"
150 . 1 128 GLN N 1 128 GLN CA 1 128 GLN C 1 129 TYR N 101.00 156.20 127.75 131.36 130.24 . . 0 "[ . 1 . 2]"
151 . 1 128 GLN C 1 129 TYR N 1 129 TYR CA 1 129 TYR C -132.90 -92.90 -107.78 -109.21 -111.84 . . 0 "[ . 1 . 2]"
152 . 1 129 TYR N 1 129 TYR CA 1 129 TYR C 1 130 HIS N 103.50 148.50 132.18 135.79 135.24 . . 0 "[ . 1 . 2]"
153 . 1 129 TYR C 1 130 HIS N 1 130 HIS CA 1 130 HIS C -139.70 -94.90 -122.26 -134.48 -110.11 . . 0 "[ . 1 . 2]"
154 . 1 130 HIS N 1 130 HIS CA 1 130 HIS C 1 131 ILE N 102.20 142.20 108.27 102.02 120.65 0.18 12 0 "[ . 1 . 2]"
155 . 1 130 HIS C 1 131 ILE N 1 131 ILE CA 1 131 ILE C -136.70 -96.70 -123.68 -133.17 -109.60 . . 0 "[ . 1 . 2]"
156 . 1 131 ILE N 1 131 ILE CA 1 131 ILE C 1 132 SER N 107.10 147.10 133.50 127.18 146.48 . . 0 "[ . 1 . 2]"
157 . 1 131 ILE C 1 132 SER N 1 132 SER CA 1 132 SER C -171.70 -84.10 -124.50 -88.69 -107.47 . . 0 "[ . 1 . 2]"
158 . 1 132 SER N 1 132 SER CA 1 132 SER C 1 133 TYR N 109.60 -177.00 145.63 160.25 154.57 . . 0 "[ . 1 . 2]"
159 . 1 135 ASP C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -85.20 -45.20 -65.64 -69.28 -61.89 . . 0 "[ . 1 . 2]"
160 . 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 ALA N -55.80 -15.80 -43.72 -42.54 -42.83 . . 0 "[ . 1 . 2]"
161 . 1 136 VAL C 1 137 ALA N 1 137 ALA CA 1 137 ALA C -79.90 -39.90 -57.36 -63.47 -52.42 . . 0 "[ . 1 . 2]"
162 . 1 137 ALA N 1 137 ALA CA 1 137 ALA C 1 138 GLN N -62.40 -22.40 -49.31 -47.02 -49.21 . . 0 "[ . 1 . 2]"
163 . 1 137 ALA C 1 138 GLN N 1 138 GLN CA 1 138 GLN C -86.10 -46.10 -67.90 -72.86 -65.70 . . 0 "[ . 1 . 2]"
164 . 1 138 GLN N 1 138 GLN CA 1 138 GLN C 1 139 LEU N -59.60 -19.60 -33.38 -30.14 -31.04 . . 0 "[ . 1 . 2]"
165 . 1 138 GLN C 1 139 LEU N 1 139 LEU CA 1 139 LEU C -85.70 -45.70 -62.55 -63.39 -61.36 . . 0 "[ . 1 . 2]"
166 . 1 139 LEU N 1 139 LEU CA 1 139 LEU C 1 140 GLU N -64.10 -24.10 -43.36 -43.33 -43.51 . . 0 "[ . 1 . 2]"
167 . 1 139 LEU C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -80.90 -40.90 -67.62 -65.44 -65.55 . . 0 "[ . 1 . 2]"
168 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 ALA N -62.10 -22.10 -45.35 -54.81 -34.10 . . 0 "[ . 1 . 2]"
169 . 1 140 GLU C 1 141 ALA N 1 141 ALA CA 1 141 ALA C -86.00 -46.00 -70.55 -73.48 -74.24 . . 0 "[ . 1 . 2]"
170 . 1 141 ALA N 1 141 ALA CA 1 141 ALA C 1 142 THR N -59.50 -10.10 -44.04 -49.86 -37.39 . . 0 "[ . 1 . 2]"
171 . 1 141 ALA C 1 142 THR N 1 142 THR CA 1 142 THR C -85.50 -45.50 -65.41 -68.35 -72.26 . . 0 "[ . 1 . 2]"
172 . 1 142 THR N 1 142 THR CA 1 142 THR C 1 143 ILE N -61.70 -21.70 -44.42 -50.11 -38.89 . . 0 "[ . 1 . 2]"
173 . 1 142 THR C 1 143 ILE N 1 143 ILE CA 1 143 ILE C -84.60 -44.60 -67.04 -66.77 -67.10 . . 0 "[ . 1 . 2]"
174 . 1 143 ILE N 1 143 ILE CA 1 143 ILE C 1 144 GLN N -62.60 -22.60 -41.91 -44.29 -38.48 . . 0 "[ . 1 . 2]"
175 . 1 143 ILE C 1 144 GLN N 1 144 GLN CA 1 144 GLN C -86.70 -46.70 -61.91 -63.96 -64.74 . . 0 "[ . 1 . 2]"
176 . 1 144 GLN N 1 144 GLN CA 1 144 GLN C 1 145 MET N -50.90 -10.90 -52.12 -51.48 -52.28 2.93 17 0 "[ . 1 . 2]"
177 . 1 144 GLN C 1 145 MET N 1 145 MET CA 1 145 MET C -100.80 -54.80 -75.59 -80.58 -68.99 . . 0 "[ . 1 . 2]"
178 . 1 145 MET N 1 145 MET CA 1 145 MET C 1 146 GLY N -44.70 15.10 -39.13 -42.98 -30.61 . . 0 "[ . 1 . 2]"
179 . 1 146 GLY C 1 147 PHE N 1 147 PHE CA 1 147 PHE C -81.60 -41.60 -66.15 -65.06 -65.37 1.49 8 0 "[ . 1 . 2]"
180 . 1 147 PHE N 1 147 PHE CA 1 147 PHE C 1 148 LYS N -65.20 -25.20 -47.08 -46.23 -46.78 . . 0 "[ . 1 . 2]"
181 . 1 147 PHE C 1 148 LYS N 1 148 LYS CA 1 148 LYS C -79.30 -39.30 -63.43 -72.68 -50.57 . . 0 "[ . 1 . 2]"
182 . 1 148 LYS N 1 148 LYS CA 1 148 LYS C 1 149 GLU N -62.60 -22.60 -52.26 -64.37 -45.48 1.77 18 0 "[ . 1 . 2]"
183 . 1 148 LYS C 1 149 GLU N 1 149 GLU CA 1 149 GLU C -84.70 -44.70 -74.36 -80.65 -69.07 . . 0 "[ . 1 . 2]"
184 . 1 149 GLU N 1 149 GLU CA 1 149 GLU C 1 150 GLY N -63.30 -23.30 -37.90 -35.09 -36.48 . . 0 "[ . 1 . 2]"
185 . 1 149 GLU C 1 150 GLY N 1 150 GLY CA 1 150 GLY C -85.00 -45.00 -64.08 -72.50 -56.58 . . 0 "[ . 1 . 2]"
186 . 1 150 GLY N 1 150 GLY CA 1 150 GLY C 1 151 ILE N -62.10 -22.10 -52.13 -57.90 -40.50 . . 0 "[ . 1 . 2]"
187 . 1 150 GLY C 1 151 ILE N 1 151 ILE CA 1 151 ILE C -103.40 -36.20 -65.78 -66.65 -68.19 . . 0 "[ . 1 . 2]"
188 . 1 151 ILE N 1 151 ILE CA 1 151 ILE C 1 152 THR N -57.60 -16.80 -43.26 -45.26 -40.80 . . 0 "[ . 1 . 2]"
189 . 1 151 ILE C 1 152 THR N 1 152 THR CA 1 152 THR C -81.20 -41.20 -62.90 -67.10 -57.51 . . 0 "[ . 1 . 2]"
190 . 1 152 THR N 1 152 THR CA 1 152 THR C 1 153 MET N -59.80 -19.80 -50.13 -50.56 -51.01 . . 0 "[ . 1 . 2]"
191 . 1 152 THR C 1 153 MET N 1 153 MET CA 1 153 MET C -83.80 -43.80 -72.82 -84.12 -67.64 0.32 4 0 "[ . 1 . 2]"
192 . 1 153 MET N 1 153 MET CA 1 153 MET C 1 154 ALA N -64.10 -24.10 -42.87 -62.19 -29.86 . . 0 "[ . 1 . 2]"
193 . 1 153 MET C 1 154 ALA N 1 154 ALA CA 1 154 ALA C -83.40 -43.40 -63.86 -68.08 -44.25 . . 0 "[ . 1 . 2]"
194 . 1 154 ALA N 1 154 ALA CA 1 154 ALA C 1 155 MET N -64.00 -24.00 -45.03 -43.01 -44.51 . . 0 "[ . 1 . 2]"
195 . 1 154 ALA C 1 155 MET N 1 155 MET CA 1 155 MET C -82.80 -42.80 -62.79 -66.15 -60.53 . . 0 "[ . 1 . 2]"
196 . 1 155 MET N 1 155 MET CA 1 155 MET C 1 156 GLU N -61.10 -21.10 -43.98 -46.64 -39.75 . . 0 "[ . 1 . 2]"
197 . 1 155 MET C 1 156 GLU N 1 156 GLU CA 1 156 GLU C -82.30 -42.30 -69.85 -73.39 -61.10 . . 0 "[ . 1 . 2]"
198 . 1 156 GLU N 1 156 GLU CA 1 156 GLU C 1 157 ASN N -61.60 -21.60 -50.44 -49.31 -50.49 . . 0 "[ . 1 . 2]"
199 . 1 156 GLU C 1 157 ASN N 1 157 ASN CA 1 157 ASN C -84.40 -44.40 -65.53 -67.29 -64.45 . . 0 "[ . 1 . 2]"
200 . 1 157 ASN N 1 157 ASN CA 1 157 ASN C 1 158 LEU N -58.80 -18.80 -42.34 -41.74 -42.02 . . 0 "[ . 1 . 2]"
201 . 1 157 ASN C 1 158 LEU N 1 158 LEU CA 1 158 LEU C -84.10 -44.10 -64.27 -63.48 -63.76 . . 0 "[ . 1 . 2]"
202 . 1 158 LEU N 1 158 LEU CA 1 158 LEU C 1 159 ASP N -62.00 -22.00 -42.30 -44.20 -40.26 . . 0 "[ . 1 . 2]"
203 . 1 158 LEU C 1 159 ASP N 1 159 ASP CA 1 159 ASP C -82.70 -42.70 -61.11 -64.42 -57.62 . . 0 "[ . 1 . 2]"
204 . 1 159 ASP N 1 159 ASP CA 1 159 ASP C 1 160 GLU N -57.50 -17.50 -45.37 -49.34 -49.42 . . 0 "[ . 1 . 2]"
205 . 1 159 ASP C 1 160 GLU N 1 160 GLU CA 1 160 GLU C -83.10 -43.10 -68.06 -71.22 -61.23 . . 0 "[ . 1 . 2]"
206 . 1 160 GLU N 1 160 GLU CA 1 160 GLU C 1 161 LEU N -62.20 -22.20 -38.29 -36.42 -36.94 . . 0 "[ . 1 . 2]"
207 . 1 160 GLU C 1 161 LEU N 1 161 LEU CA 1 161 LEU C -85.80 -45.80 -63.44 -63.37 -63.48 . . 0 "[ . 1 . 2]"
208 . 1 161 LEU N 1 161 LEU CA 1 161 LEU C 1 162 LEU N -63.40 -23.40 -43.71 -42.82 -43.22 . . 0 "[ . 1 . 2]"
209 . 1 161 LEU C 1 162 LEU N 1 162 LEU CA 1 162 LEU C -82.90 -42.90 -64.00 -66.97 -61.83 . . 0 "[ . 1 . 2]"
210 . 1 162 LEU N 1 162 LEU CA 1 162 LEU C 1 163 VAL N -53.70 -10.10 -42.03 -41.32 -41.39 . . 0 "[ . 1 . 2]"
211 . 1 162 LEU C 1 163 VAL N 1 163 VAL CA 1 163 VAL C -88.10 -45.70 -64.17 -67.22 -60.78 . . 0 "[ . 1 . 2]"
212 . 1 163 VAL N 1 163 VAL CA 1 163 VAL C 1 164 SER N -63.50 -7.70 -44.95 -46.79 -42.79 . . 0 "[ . 1 . 2]"
213 . 1 163 VAL C 1 164 SER N 1 164 SER CA 1 164 SER C -105.90 -37.30 -70.90 -83.51 -58.51 . . 0 "[ . 1 . 2]"
214 . 1 164 SER N 1 164 SER CA 1 164 SER C 1 165 GLY N -60.30 -1.70 -27.09 -21.50 -33.16 . . 0 "[ . 1 . 2]"
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