NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579786 |
2mog   |
19942 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mog
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 202
_TA_constraint_stats_list.Viol_count 511
_TA_constraint_stats_list.Viol_total 18287.96
_TA_constraint_stats_list.Viol_max 7.89
_TA_constraint_stats_list.Viol_rms 0.83
_TA_constraint_stats_list.Viol_average_all_restraints 0.23
_TA_constraint_stats_list.Viol_average_violations_only 1.79
_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 3 ALA C 1 4 THR N 1 4 THR CA 1 4 THR C -138.80 -91.60 -121.49 -139.60 -90.24 1.36 6 0 "[ . 1 . 2]"
2 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 LEU N 121.30 163.50 161.26 163.23 162.71 1.32 13 0 "[ . 1 . 2]"
3 . 1 4 THR C 1 5 LEU N 1 5 LEU CA 1 5 LEU C -87.30 -47.30 -76.10 -88.04 -60.57 0.74 10 0 "[ . 1 . 2]"
4 . 1 5 LEU N 1 5 LEU CA 1 5 LEU C 1 6 SER N 104.80 144.80 112.73 103.97 125.92 0.83 18 0 "[ . 1 . 2]"
5 . 1 5 LEU C 1 6 SER N 1 6 SER CA 1 6 SER C -117.60 -77.20 -76.17 -85.77 -72.49 4.71 6 0 "[ . 1 . 2]"
6 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 SER N -59.80 -19.80 -44.69 -53.52 -36.13 . . 0 "[ . 1 . 2]"
7 . 1 6 SER C 1 7 SER N 1 7 SER CA 1 7 SER C 177.80 -142.20 -154.37 -148.09 -150.49 . . 0 "[ . 1 . 2]"
8 . 1 7 SER N 1 7 SER CA 1 7 SER C 1 8 ILE N 139.00 179.00 162.99 151.56 169.79 . . 0 "[ . 1 . 2]"
9 . 1 7 SER C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -152.90 -112.90 -121.40 -130.69 -112.45 0.45 8 0 "[ . 1 . 2]"
10 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 SER N 114.50 154.50 136.00 127.97 147.60 . . 0 "[ . 1 . 2]"
11 . 1 8 ILE C 1 9 SER N 1 9 SER CA 1 9 SER C -137.60 -97.60 -132.14 -139.12 -123.02 1.52 14 0 "[ . 1 . 2]"
12 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 ILE N 106.40 148.00 148.54 146.11 150.28 2.28 16 0 "[ . 1 . 2]"
13 . 1 9 SER C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -135.60 -95.60 -103.46 -105.75 -111.59 4.10 4 0 "[ . 1 . 2]"
14 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 SER N 107.30 147.30 136.82 139.20 137.27 0.36 16 0 "[ . 1 . 2]"
15 . 1 10 ILE C 1 11 SER N 1 11 SER CA 1 11 SER C -154.50 -101.90 -100.85 -99.64 -99.99 3.22 19 0 "[ . 1 . 2]"
16 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 PRO N 93.20 176.00 164.41 162.31 165.87 . . 0 "[ . 1 . 2]"
17 . 1 11 SER C 1 12 PRO N 1 12 PRO CA 1 12 PRO C -111.80 -31.80 -38.80 -39.51 -43.20 . . 0 "[ . 1 . 2]"
18 . 1 12 PRO N 1 12 PRO CA 1 12 PRO C 1 13 ILE N 126.60 169.20 163.90 155.67 172.48 3.28 3 0 "[ . 1 . 2]"
19 . 1 12 PRO C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -170.90 -90.90 -99.07 -86.63 -87.02 6.18 6 2 "[ .+ 1 . - 2]"
20 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 ASN N 110.70 158.50 131.69 108.13 163.75 5.25 9 1 "[ . +1 . 2]"
21 . 1 14 ASN C 1 15 THR N 1 15 THR CA 1 15 THR C -164.90 -84.90 -140.79 -165.89 -85.29 0.99 20 0 "[ . 1 . 2]"
22 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 ASN N 98.30 178.30 94.66 91.79 97.47 6.51 4 4 "[ +*- 1* . 2]"
23 . 1 15 THR C 1 16 ASN N 1 16 ASN CA 1 16 ASN C -155.20 -88.80 -155.34 -158.02 -150.30 2.82 16 0 "[ . 1 . 2]"
24 . 1 16 ASN N 1 16 ASN CA 1 16 ASN C 1 17 ILE N 117.20 160.40 149.58 129.02 162.00 1.60 16 0 "[ . 1 . 2]"
25 . 1 16 ASN C 1 17 ILE N 1 17 ILE CA 1 17 ILE C -154.10 -111.10 -135.20 -156.35 -116.92 2.25 10 0 "[ . 1 . 2]"
26 . 1 17 ILE N 1 17 ILE CA 1 17 ILE C 1 18 ASN N 127.50 167.50 135.88 129.88 160.53 . . 0 "[ . 1 . 2]"
27 . 1 17 ILE C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -128.50 -67.90 -95.34 -82.20 -82.35 . . 0 "[ . 1 . 2]"
28 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 THR N 90.80 164.60 161.48 166.44 166.06 2.78 12 0 "[ . 1 . 2]"
29 . 1 18 ASN C 1 19 THR N 1 19 THR CA 1 19 THR C -119.10 -39.10 -47.31 -37.47 -37.71 3.07 12 0 "[ . 1 . 2]"
30 . 1 20 THR C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -129.90 -49.90 -127.95 -128.54 -130.22 3.55 4 0 "[ . 1 . 2]"
31 . 1 21 VAL C 1 22 SER N 1 22 SER CA 1 22 SER C -112.10 -55.10 -98.09 -88.36 -88.93 0.67 4 0 "[ . 1 . 2]"
32 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 LYS N 113.70 162.30 137.65 118.98 152.27 . . 0 "[ . 1 . 2]"
33 . 1 22 SER C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -152.90 -112.90 -127.14 -134.89 -136.70 0.44 20 0 "[ . 1 . 2]"
34 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 GLN N 119.30 159.50 136.78 130.04 128.87 0.40 11 0 "[ . 1 . 2]"
35 . 1 23 LYS C 1 24 GLN N 1 24 GLN CA 1 24 GLN C -108.70 -68.70 -110.36 -109.84 -110.05 3.60 6 0 "[ . 1 . 2]"
36 . 1 24 GLN N 1 24 GLN CA 1 24 GLN C 1 25 PHE N 95.00 144.20 144.21 144.83 144.73 2.63 12 0 "[ . 1 . 2]"
37 . 1 24 GLN C 1 25 PHE N 1 25 PHE CA 1 25 PHE C -127.40 -87.40 -128.50 -128.38 -128.42 2.68 8 0 "[ . 1 . 2]"
38 . 1 25 PHE N 1 25 PHE CA 1 25 PHE C 1 26 PHE N 112.60 152.60 152.69 152.61 152.01 2.49 5 0 "[ . 1 . 2]"
39 . 1 25 PHE C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -151.70 -111.70 -112.69 -111.08 -111.41 2.52 5 0 "[ . 1 . 2]"
40 . 1 26 PHE N 1 26 PHE CA 1 26 PHE C 1 27 ALA N 122.70 171.70 148.29 148.79 147.86 . . 0 "[ . 1 . 2]"
41 . 1 26 PHE C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -145.80 -105.80 -116.44 -123.10 -108.19 . . 0 "[ . 1 . 2]"
42 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 VAL N 114.00 154.00 128.79 124.39 130.64 . . 0 "[ . 1 . 2]"
43 . 1 27 ALA C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -137.20 -97.20 -116.15 -121.85 -110.97 . . 0 "[ . 1 . 2]"
44 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 GLY N 107.90 147.90 130.43 133.51 132.96 . . 0 "[ . 1 . 2]"
45 . 1 28 VAL C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 179.80 -58.60 -121.02 -128.02 -105.91 . . 0 "[ . 1 . 2]"
46 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 THR N 92.90 -172.50 147.57 151.22 149.97 . . 0 "[ . 1 . 2]"
47 . 1 29 GLY C 1 30 THR N 1 30 THR CA 1 30 THR C -122.70 -82.70 -115.27 -120.12 -108.11 . . 0 "[ . 1 . 2]"
48 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 TYR N 100.50 140.50 126.80 127.44 126.67 . . 0 "[ . 1 . 2]"
49 . 1 30 THR C 1 31 TYR N 1 31 TYR CA 1 31 TYR C -106.80 -65.60 -84.69 -89.08 -80.69 . . 0 "[ . 1 . 2]"
50 . 1 31 TYR N 1 31 TYR CA 1 31 TYR C 1 32 SER N 139.50 179.50 148.30 150.59 149.75 . . 0 "[ . 1 . 2]"
51 . 1 31 TYR C 1 32 SER N 1 32 SER CA 1 32 SER C -82.10 -42.10 -54.11 -54.54 -54.94 . . 0 "[ . 1 . 2]"
52 . 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 ASP N -43.70 -3.70 -14.99 -14.59 -14.78 . . 0 "[ . 1 . 2]"
53 . 1 32 SER C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -105.00 -65.00 -80.97 -87.12 -74.85 . . 0 "[ . 1 . 2]"
54 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 GLY N -17.70 22.30 -2.40 0.76 -0.75 . . 0 "[ . 1 . 2]"
55 . 1 33 ASP C 1 34 GLY N 1 34 GLY CA 1 34 GLY C 72.40 112.40 86.98 77.59 93.22 . . 0 "[ . 1 . 2]"
56 . 1 34 GLY N 1 34 GLY CA 1 34 GLY C 1 35 THR N -29.70 10.30 1.45 2.70 2.27 . . 0 "[ . 1 . 2]"
57 . 1 34 GLY C 1 35 THR N 1 35 THR CA 1 35 THR C -92.40 -52.40 -84.66 -86.13 -86.30 . . 0 "[ . 1 . 2]"
58 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 LYS N 138.90 178.90 153.60 160.21 158.32 . . 0 "[ . 1 . 2]"
59 . 1 35 THR C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -151.70 -101.70 -125.88 -133.16 -110.99 . . 0 "[ . 1 . 2]"
60 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 ALA N 128.50 168.50 148.64 150.46 149.71 . . 0 "[ . 1 . 2]"
61 . 1 36 LYS C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -162.50 -107.30 -159.32 -163.12 -150.51 0.62 3 0 "[ . 1 . 2]"
62 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ASP N 122.80 171.60 155.59 150.21 164.71 . . 0 "[ . 1 . 2]"
63 . 1 37 ALA C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -101.60 -60.00 -83.45 -83.40 -84.77 . . 0 "[ . 1 . 2]"
64 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 LEU N 99.80 148.20 123.50 122.97 122.35 . . 0 "[ . 1 . 2]"
65 . 1 38 ASP C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -132.10 -92.10 -108.03 -113.70 -103.81 . . 0 "[ . 1 . 2]"
66 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 THR N -1.70 38.30 10.68 5.54 2.18 . . 0 "[ . 1 . 2]"
67 . 1 39 LEU C 1 40 THR N 1 40 THR CA 1 40 THR C -76.80 -36.80 -56.56 -61.43 -45.72 . . 0 "[ . 1 . 2]"
68 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 SER N -54.60 -14.60 -30.56 -34.88 -21.94 . . 0 "[ . 1 . 2]"
69 . 1 40 THR C 1 41 SER N 1 41 SER CA 1 41 SER C -92.80 -52.80 -89.74 -94.38 -86.63 1.58 18 0 "[ . 1 . 2]"
70 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 SER N -32.60 7.40 -10.46 -13.53 -18.33 . . 0 "[ . 1 . 2]"
71 . 1 41 SER C 1 42 SER N 1 42 SER CA 1 42 SER C -108.40 -68.40 -102.97 -109.03 -92.71 0.63 13 0 "[ . 1 . 2]"
72 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 VAL N -29.10 10.90 -26.75 -30.28 -21.75 1.18 16 0 "[ . 1 . 2]"
73 . 1 42 SER C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -139.30 -64.30 -90.91 -91.93 -93.05 . . 0 "[ . 1 . 2]"
74 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 THR N 109.00 174.00 148.09 147.93 144.46 . . 0 "[ . 1 . 2]"
75 . 1 43 VAL C 1 44 THR N 1 44 THR CA 1 44 THR C -128.60 -69.40 -106.22 -111.62 -99.09 . . 0 "[ . 1 . 2]"
76 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 TRP N 104.20 144.20 122.84 126.39 125.22 . . 0 "[ . 1 . 2]"
77 . 1 44 THR C 1 45 TRP N 1 45 TRP CA 1 45 TRP C -124.70 -79.10 -92.35 -97.30 -83.91 . . 0 "[ . 1 . 2]"
78 . 1 45 TRP N 1 45 TRP CA 1 45 TRP C 1 46 SER N 114.50 154.50 136.91 133.13 141.42 . . 0 "[ . 1 . 2]"
79 . 1 45 TRP C 1 46 SER N 1 46 SER CA 1 46 SER C -170.40 -119.80 -146.48 -145.67 -147.08 . . 0 "[ . 1 . 2]"
80 . 1 46 SER N 1 46 SER CA 1 46 SER C 1 47 SER N 140.00 -173.80 162.95 144.86 170.30 . . 0 "[ . 1 . 2]"
81 . 1 46 SER C 1 47 SER N 1 47 SER CA 1 47 SER C -147.10 -84.70 -134.74 -120.20 -132.13 . . 0 "[ . 1 . 2]"
82 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 SER N 121.50 -173.30 143.81 140.94 140.29 . . 0 "[ . 1 . 2]"
83 . 1 47 SER C 1 48 SER N 1 48 SER CA 1 48 SER C -76.70 -36.70 -65.29 -69.29 -59.97 . . 0 "[ . 1 . 2]"
84 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 ASN N -53.80 -13.80 -33.94 -36.42 -39.42 . . 0 "[ . 1 . 2]"
85 . 1 48 SER C 1 49 ASN N 1 49 ASN CA 1 49 ASN C -111.80 -31.80 -79.93 -84.90 -87.58 . . 0 "[ . 1 . 2]"
86 . 1 49 ASN C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -94.60 -43.40 -73.41 -74.45 -77.25 . . 0 "[ . 1 . 2]"
87 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 SER N -52.10 3.30 -39.58 -49.84 -22.45 . . 0 "[ . 1 . 2]"
88 . 1 50 GLN C 1 51 SER N 1 51 SER CA 1 51 SER C -93.50 -53.50 -70.64 -68.95 -69.43 . . 0 "[ . 1 . 2]"
89 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 GLN N -32.80 7.20 -33.82 -34.82 -32.19 2.02 2 0 "[ . 1 . 2]"
90 . 1 51 SER C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -122.80 -80.40 -102.31 -108.55 -93.65 . . 0 "[ . 1 . 2]"
91 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 ALA N -28.50 25.50 5.21 6.01 4.30 . . 0 "[ . 1 . 2]"
92 . 1 52 GLN C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -172.70 -96.30 -164.15 -159.57 -160.68 . . 0 "[ . 1 . 2]"
93 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 LYS N 115.00 170.60 150.35 144.44 159.07 . . 0 "[ . 1 . 2]"
94 . 1 53 ALA C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -158.30 -111.70 -132.09 -139.04 -127.23 . . 0 "[ . 1 . 2]"
95 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 VAL N 124.60 174.20 142.07 141.71 140.54 . . 0 "[ . 1 . 2]"
96 . 1 54 LYS C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -148.20 -108.20 -114.59 -125.88 -107.04 1.16 6 0 "[ . 1 . 2]"
97 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 SER N 118.80 168.60 113.79 114.06 113.68 7.61 8 12 "[* * .* + **- ***** 2]"
98 . 1 55 VAL C 1 56 SER N 1 56 SER CA 1 56 SER C -133.40 -47.40 -139.63 -140.43 -140.90 7.89 1 18 "[+*************-* **2]"
99 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 ASN N 106.40 146.40 108.01 103.10 117.05 3.30 12 0 "[ . 1 . 2]"
100 . 1 56 SER C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -176.30 -67.90 -141.11 -148.64 -152.29 . . 0 "[ . 1 . 2]"
101 . 1 57 ASN N 1 57 ASN CA 1 57 ASN C 1 58 ALA N 116.90 -178.70 129.70 121.73 134.40 . . 0 "[ . 1 . 2]"
102 . 1 57 ASN C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -106.40 -26.40 -74.72 -68.94 -69.97 . . 0 "[ . 1 . 2]"
103 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 SER N 103.00 -177.00 179.75 -177.67 -178.28 1.89 2 0 "[ . 1 . 2]"
104 . 1 58 ALA C 1 59 SER N 1 59 SER CA 1 59 SER C -78.30 -38.30 -58.23 -64.33 -54.30 . . 0 "[ . 1 . 2]"
105 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 GLU N -55.60 -15.60 -34.82 -44.95 -16.91 . . 0 "[ . 1 . 2]"
106 . 1 59 SER C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -87.00 -47.00 -83.48 -83.97 -85.58 2.08 20 0 "[ . 1 . 2]"
107 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 THR N -39.60 0.40 -19.30 -35.27 -7.07 . . 0 "[ . 1 . 2]"
108 . 1 60 GLU C 1 61 THR N 1 61 THR CA 1 61 THR C -130.20 -90.20 -111.48 -104.60 -109.58 1.34 12 0 "[ . 1 . 2]"
109 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 LYS N -9.90 30.10 13.49 2.18 0.76 2.11 18 0 "[ . 1 . 2]"
110 . 1 61 THR C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -82.80 -42.80 -43.10 -41.16 -41.31 2.63 4 0 "[ . 1 . 2]"
111 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 GLY N 113.20 153.20 116.38 114.20 114.16 2.00 4 0 "[ . 1 . 2]"
112 . 1 63 GLY C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -117.70 -54.10 -118.21 -115.30 -116.97 3.75 16 0 "[ . 1 . 2]"
113 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 VAL N 108.60 150.60 120.32 113.06 127.89 . . 0 "[ . 1 . 2]"
114 . 1 64 LEU C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -131.10 -85.10 -127.22 -128.55 -129.31 . . 0 "[ . 1 . 2]"
115 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 THR N 105.10 145.10 134.83 136.60 136.08 . . 0 "[ . 1 . 2]"
116 . 1 65 VAL C 1 66 THR N 1 66 THR CA 1 66 THR C -141.00 -90.40 -111.40 -119.05 -102.00 . . 0 "[ . 1 . 2]"
117 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 GLY N 103.80 159.60 127.19 127.03 126.44 . . 0 "[ . 1 . 2]"
118 . 1 66 THR C 1 67 GLY N 1 67 GLY CA 1 67 GLY C -140.20 -39.80 -107.00 -115.01 -122.96 . . 0 "[ . 1 . 2]"
119 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 ILE N 102.40 161.40 113.15 102.10 135.11 0.30 7 0 "[ . 1 . 2]"
120 . 1 67 GLY C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -136.60 -56.60 -68.87 -64.35 -64.53 . . 0 "[ . 1 . 2]"
121 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 ALA N -68.50 11.50 -46.09 -45.40 -45.89 . . 0 "[ . 1 . 2]"
122 . 1 68 ILE C 1 69 ALA N 1 69 ALA CA 1 69 ALA C 162.70 -117.30 179.34 167.75 161.89 0.81 1 0 "[ . 1 . 2]"
123 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 SER N 119.20 -160.80 125.12 128.99 122.41 1.35 14 0 "[ . 1 . 2]"
124 . 1 71 GLY C 1 72 ASN N 1 72 ASN CA 1 72 ASN C -156.40 -84.80 -138.56 -142.79 -149.31 0.89 18 0 "[ . 1 . 2]"
125 . 1 72 ASN N 1 72 ASN CA 1 72 ASN C 1 73 PRO N 85.20 176.00 81.51 82.17 81.87 4.70 8 0 "[ . 1 . 2]"
126 . 1 72 ASN C 1 73 PRO N 1 73 PRO CA 1 73 PRO C -96.10 -36.10 -77.16 -84.24 -64.18 . . 0 "[ . 1 . 2]"
127 . 1 73 PRO N 1 73 PRO CA 1 73 PRO C 1 74 THR N 118.40 158.40 154.12 150.37 148.80 1.12 17 0 "[ . 1 . 2]"
128 . 1 73 PRO C 1 74 THR N 1 74 THR CA 1 74 THR C -149.60 -83.20 -118.89 -126.81 -107.10 . . 0 "[ . 1 . 2]"
129 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 ILE N 107.00 154.60 122.43 121.31 120.33 . . 0 "[ . 1 . 2]"
130 . 1 74 THR C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -100.70 -57.50 -98.55 -102.78 -86.47 2.08 9 0 "[ . 1 . 2]"
131 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 ILE N 110.40 150.40 126.22 129.14 127.32 . . 0 "[ . 1 . 2]"
132 . 1 75 ILE C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -140.40 -99.00 -113.72 -120.86 -102.86 . . 0 "[ . 1 . 2]"
133 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 ALA N 112.00 152.00 125.91 128.09 127.43 . . 0 "[ . 1 . 2]"
134 . 1 76 ILE C 1 77 ALA N 1 77 ALA CA 1 77 ALA C -142.90 -97.50 -102.53 -101.04 -102.51 0.28 10 0 "[ . 1 . 2]"
135 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 THR N 108.60 157.00 129.64 131.18 129.73 . . 0 "[ . 1 . 2]"
136 . 1 77 ALA C 1 78 THR N 1 78 THR CA 1 78 THR C -139.70 -91.90 -117.37 -124.08 -108.65 . . 0 "[ . 1 . 2]"
137 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 TYR N 108.30 148.30 129.21 127.84 126.40 . . 0 "[ . 1 . 2]"
138 . 1 78 THR C 1 79 TYR N 1 79 TYR CA 1 79 TYR C -153.30 -89.70 -134.43 -139.80 -128.02 . . 0 "[ . 1 . 2]"
139 . 1 79 TYR N 1 79 TYR CA 1 79 TYR C 1 80 GLY N 87.50 131.30 102.15 106.70 105.04 1.09 13 0 "[ . 1 . 2]"
140 . 1 79 TYR C 1 80 GLY N 1 80 GLY CA 1 80 GLY C 46.20 86.20 58.95 48.87 71.05 . . 0 "[ . 1 . 2]"
141 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 SER N -141.00 -101.00 -124.29 -129.81 -119.80 . . 0 "[ . 1 . 2]"
142 . 1 80 GLY C 1 81 SER N 1 81 SER CA 1 81 SER C -116.50 -76.50 -92.30 -98.03 -87.18 . . 0 "[ . 1 . 2]"
143 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 VAL N -14.90 25.10 6.06 8.21 6.97 . . 0 "[ . 1 . 2]"
144 . 1 81 SER C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -148.10 -70.50 -124.75 -129.05 -121.71 . . 0 "[ . 1 . 2]"
145 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 SER N 109.80 167.40 133.03 129.73 136.55 . . 0 "[ . 1 . 2]"
146 . 1 82 VAL C 1 83 SER N 1 83 SER CA 1 83 SER C -157.60 -109.20 -138.78 -137.81 -139.79 . . 0 "[ . 1 . 2]"
147 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 GLY N 129.80 169.80 153.02 153.48 152.71 . . 0 "[ . 1 . 2]"
148 . 1 83 SER C 1 84 GLY N 1 84 GLY CA 1 84 GLY C 164.20 -97.20 -130.21 -129.74 -130.55 . . 0 "[ . 1 . 2]"
149 . 1 84 GLY N 1 84 GLY CA 1 84 GLY C 1 85 ASN N 143.50 -174.70 144.57 142.93 142.70 2.44 16 0 "[ . 1 . 2]"
150 . 1 84 GLY C 1 85 ASN N 1 85 ASN CA 1 85 ASN C -167.90 -108.90 -115.81 -131.99 -108.14 0.76 3 0 "[ . 1 . 2]"
151 . 1 85 ASN N 1 85 ASN CA 1 85 ASN C 1 86 THR N 130.40 170.40 141.12 142.77 142.29 . . 0 "[ . 1 . 2]"
152 . 1 85 ASN C 1 86 THR N 1 86 THR CA 1 86 THR C -169.40 -107.20 -137.84 -149.86 -131.54 . . 0 "[ . 1 . 2]"
153 . 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 ILE N 111.90 167.30 154.79 141.72 167.53 0.23 8 0 "[ . 1 . 2]"
154 . 1 86 THR C 1 87 ILE N 1 87 ILE CA 1 87 ILE C -121.50 -81.50 -102.09 -106.41 -108.18 . . 0 "[ . 1 . 2]"
155 . 1 87 ILE N 1 87 ILE CA 1 87 ILE C 1 88 LEU N 106.30 146.30 125.38 121.57 128.99 . . 0 "[ . 1 . 2]"
156 . 1 87 ILE C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -140.90 -99.50 -110.57 -118.82 -100.73 . . 0 "[ . 1 . 2]"
157 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 THR N 109.10 149.10 139.16 141.71 135.57 2.22 14 0 "[ . 1 . 2]"
158 . 1 88 LEU C 1 89 THR N 1 89 THR CA 1 89 THR C -136.80 -77.20 -116.85 -132.72 -97.00 . . 0 "[ . 1 . 2]"
159 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 VAL N 105.60 145.60 139.14 143.16 142.74 1.15 16 0 "[ . 1 . 2]"
160 . 1 89 THR C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -125.70 -85.70 -84.35 -88.10 -82.65 3.05 12 0 "[ . 1 . 2]"
161 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 ASN N 105.00 145.00 108.33 100.78 127.19 4.22 18 0 "[ . 1 . 2]"
162 . 1 90 VAL C 1 91 ASN N 1 91 ASN CA 1 91 ASN C -139.60 -65.60 -138.67 -144.38 -123.79 4.78 16 0 "[ . 1 . 2]"
163 . 1 91 ASN N 1 91 ASN CA 1 91 ASN C 1 92 LYS N 104.20 155.00 139.90 122.93 117.94 0.80 7 0 "[ . 1 . 2]"
164 . 1 91 ASN C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -92.90 -52.90 -86.29 -79.73 -84.97 2.18 8 0 "[ . 1 . 2]"
165 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 THR N 115.50 157.30 138.08 116.95 154.66 . . 0 "[ . 1 . 2]"
166 . 1 92 LYS C 1 93 THR N 1 93 THR CA 1 93 THR C -119.50 -39.50 -83.30 -120.69 -44.13 1.19 4 0 "[ . 1 . 2]"
167 . 1 7 SER N 1 7 SER CA 1 7 SER CB 1 7 SER OG 42.50 82.50 60.49 65.04 55.31 0.49 11 0 "[ . 1 . 2]"
168 . 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 -78.30 -38.30 -54.12 -49.15 -52.67 . . 0 "[ . 1 . 2]"
169 . 1 13 ILE N 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 -75.70 -35.70 -58.81 -44.22 -55.67 . . 0 "[ . 1 . 2]"
170 . 1 19 THR N 1 19 THR CA 1 19 THR CB 1 19 THR OG1 39.90 79.90 55.78 56.09 51.34 . . 0 "[ . 1 . 2]"
171 . 1 21 VAL N 1 21 VAL CA 1 21 VAL CB 1 21 VAL CG1 160.20 -159.80 176.62 -159.64 -169.18 1.23 5 0 "[ . 1 . 2]"
172 . 1 24 GLN N 1 24 GLN CA 1 24 GLN CB 1 24 GLN CG 159.80 -160.20 161.41 160.34 159.97 2.44 19 0 "[ . 1 . 2]"
173 . 1 28 VAL N 1 28 VAL CA 1 28 VAL CB 1 28 VAL CG1 161.90 -158.10 168.66 167.09 166.65 . . 0 "[ . 1 . 2]"
174 . 1 30 THR N 1 30 THR CA 1 30 THR CB 1 30 THR OG1 -80.30 -40.30 -65.81 -61.70 -63.33 . . 0 "[ . 1 . 2]"
175 . 1 31 TYR N 1 31 TYR CA 1 31 TYR CB 1 31 TYR CG -85.60 -45.60 -67.24 -66.50 -66.84 . . 0 "[ . 1 . 2]"
176 . 1 32 SER N 1 32 SER CA 1 32 SER CB 1 32 SER OG 39.70 79.70 63.14 68.41 68.29 . . 0 "[ . 1 . 2]"
177 . 1 36 LYS N 1 36 LYS CA 1 36 LYS CB 1 36 LYS CG -88.50 -48.50 -65.89 -66.09 -66.87 . . 0 "[ . 1 . 2]"
178 . 1 40 THR N 1 40 THR CA 1 40 THR CB 1 40 THR OG1 -75.50 -35.50 -56.24 -63.83 -47.29 . . 0 "[ . 1 . 2]"
179 . 1 41 SER N 1 41 SER CA 1 41 SER CB 1 41 SER OG 49.40 89.40 66.14 59.34 80.24 . . 0 "[ . 1 . 2]"
180 . 1 43 VAL N 1 43 VAL CA 1 43 VAL CB 1 43 VAL CG1 -75.80 -35.80 -50.56 -56.21 -45.52 . . 0 "[ . 1 . 2]"
181 . 1 44 THR N 1 44 THR CA 1 44 THR CB 1 44 THR OG1 -80.10 -40.10 -62.72 -66.53 -74.54 . . 0 "[ . 1 . 2]"
182 . 1 45 TRP N 1 45 TRP CA 1 45 TRP CB 1 45 TRP CG -87.80 -47.80 -49.97 -53.87 -47.54 0.26 1 0 "[ . 1 . 2]"
183 . 1 47 SER N 1 47 SER CA 1 47 SER CB 1 47 SER OG 137.70 -171.90 177.63 173.68 170.81 . . 0 "[ . 1 . 2]"
184 . 1 48 SER N 1 48 SER CA 1 48 SER CB 1 48 SER OG 41.60 81.60 60.03 54.25 66.77 . . 0 "[ . 1 . 2]"
185 . 1 50 GLN N 1 50 GLN CA 1 50 GLN CB 1 50 GLN CG -89.10 -49.10 -68.77 -72.88 -66.62 . . 0 "[ . 1 . 2]"
186 . 1 52 GLN N 1 52 GLN CA 1 52 GLN CB 1 52 GLN CG -78.90 -38.90 -68.26 -72.36 -56.99 . . 0 "[ . 1 . 2]"
187 . 1 60 GLU N 1 60 GLU CA 1 60 GLU CB 1 60 GLU CG -111.50 -12.30 -66.15 -70.45 -61.98 . . 0 "[ . 1 . 2]"
188 . 1 61 THR N 1 61 THR CA 1 61 THR CB 1 61 THR OG1 41.20 81.20 61.16 60.34 53.31 . . 0 "[ . 1 . 2]"
189 . 1 65 VAL N 1 65 VAL CA 1 65 VAL CB 1 65 VAL CG1 157.60 -162.40 166.90 163.06 170.36 . . 0 "[ . 1 . 2]"
190 . 1 68 ILE N 1 68 ILE CA 1 68 ILE CB 1 68 ILE CG1 -83.80 -43.80 -66.26 -65.66 -66.46 . . 0 "[ . 1 . 2]"
191 . 1 72 ASN N 1 72 ASN CA 1 72 ASN CB 1 72 ASN CG -90.20 -41.00 -61.33 -69.16 -70.91 0.76 9 0 "[ . 1 . 2]"
192 . 1 75 ILE N 1 75 ILE CA 1 75 ILE CB 1 75 ILE CG1 -77.70 -37.70 -55.61 -78.64 -42.47 0.94 12 0 "[ . 1 . 2]"
193 . 1 76 ILE N 1 76 ILE CA 1 76 ILE CB 1 76 ILE CG1 -76.60 -36.60 -60.20 -66.73 -50.92 . . 0 "[ . 1 . 2]"
194 . 1 78 THR N 1 78 THR CA 1 78 THR CB 1 78 THR OG1 -92.20 -36.60 -60.43 -60.37 -61.09 . . 0 "[ . 1 . 2]"
195 . 1 79 TYR N 1 79 TYR CA 1 79 TYR CB 1 79 TYR CG 167.20 -152.80 171.47 172.28 171.43 0.80 14 0 "[ . 1 . 2]"
196 . 1 81 SER N 1 81 SER CA 1 81 SER CB 1 81 SER OG 33.10 83.50 67.81 73.89 71.47 . . 0 "[ . 1 . 2]"
197 . 1 82 VAL N 1 82 VAL CA 1 82 VAL CB 1 82 VAL CG1 166.20 -153.80 168.62 170.46 170.26 . . 0 "[ . 1 . 2]"
198 . 1 83 SER N 1 83 SER CA 1 83 SER CB 1 83 SER OG 46.30 86.30 60.67 49.80 69.19 . . 0 "[ . 1 . 2]"
199 . 1 85 ASN N 1 85 ASN CA 1 85 ASN CB 1 85 ASN CG -91.50 -49.50 -57.48 -67.96 -48.31 1.19 6 0 "[ . 1 . 2]"
200 . 1 87 ILE N 1 87 ILE CA 1 87 ILE CB 1 87 ILE CG1 -81.00 -41.00 -56.57 -64.87 -44.81 . . 0 "[ . 1 . 2]"
201 . 1 89 THR N 1 89 THR CA 1 89 THR CB 1 89 THR OG1 -80.00 -40.00 -61.16 -71.70 -49.74 . . 0 "[ . 1 . 2]"
202 . 1 90 VAL N 1 90 VAL CA 1 90 VAL CB 1 90 VAL CG1 165.40 -154.60 173.62 164.54 179.01 0.86 8 0 "[ . 1 . 2]"
stop_
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