NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
464283 |
2kvr   |
16789 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kvr
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 188
_TA_constraint_stats_list.Viol_count 463
_TA_constraint_stats_list.Viol_total 24352.02
_TA_constraint_stats_list.Viol_max 25.61
_TA_constraint_stats_list.Viol_rms 1.73
_TA_constraint_stats_list.Viol_average_all_restraints 0.32
_TA_constraint_stats_list.Viol_average_violations_only 2.63
_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 PRO C 1 4 GLN N 1 4 GLN CA 1 4 GLN C -87.00 -47.30 -72.27 -74.96 -77.85 0.58 16 0 "[ . 1 . 2]"
2 . 1 3 PRO C 1 4 GLN N 1 4 GLN CA 1 4 GLN C -87.30 -47.30 -72.27 -74.96 -77.85 0.28 16 0 "[ . 1 . 2]"
3 . 1 4 GLN N 1 4 GLN CA 1 4 GLN C 1 5 GLN N -60.90 3.20 -22.65 -52.67 0.49 . . 0 "[ . 1 . 2]"
4 . 1 4 GLN C 1 5 GLN N 1 5 GLN CA 1 5 GLN C -88.00 -46.00 -60.00 -54.62 -56.50 . . 0 "[ . 1 . 2]"
5 . 1 5 GLN N 1 5 GLN CA 1 5 GLN C 1 6 LEU N -56.90 -16.90 -34.35 -52.05 -25.88 . . 0 "[ . 1 . 2]"
6 . 1 5 GLN C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -92.30 -47.50 -67.26 -82.17 -59.44 . . 0 "[ . 1 . 2]"
7 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 VAL N -81.20 11.90 -45.83 -60.28 -24.28 . . 0 "[ . 1 . 2]"
8 . 1 6 LEU C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -81.60 -41.60 -77.41 -73.07 -75.02 1.93 7 0 "[ . 1 . 2]"
9 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 GLU N -65.40 -25.40 -30.38 -42.33 -22.95 2.45 4 0 "[ . 1 . 2]"
10 . 1 7 VAL C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -83.10 -43.10 -64.93 -76.09 -59.99 . . 0 "[ . 1 . 2]"
11 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 ARG N -58.80 -18.80 -52.02 -48.38 -50.36 1.67 5 0 "[ . 1 . 2]"
12 . 1 8 GLU C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -106.40 -34.10 -64.09 -73.12 -56.38 . . 0 "[ . 1 . 2]"
13 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 LEU N -63.90 -16.90 -34.28 -35.49 -36.35 . . 0 "[ . 1 . 2]"
14 . 1 9 ARG C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -110.30 -31.50 -61.53 -67.54 -52.44 . . 0 "[ . 1 . 2]"
15 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 GLN N -63.30 -23.30 -46.12 -36.03 -39.20 . . 0 "[ . 1 . 2]"
16 . 1 11 GLN C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -81.50 -41.50 -62.92 -72.25 -55.66 . . 0 "[ . 1 . 2]"
17 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 GLU N -61.90 -21.90 -30.35 -30.37 -32.74 0.48 6 0 "[ . 1 . 2]"
18 . 1 12 GLU C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -87.90 -44.00 -85.21 -78.87 -82.19 1.71 11 0 "[ . 1 . 2]"
19 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 LYS N -63.00 -18.40 -47.24 -56.19 -56.59 0.48 14 0 "[ . 1 . 2]"
20 . 1 13 GLU C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -83.60 -43.60 -66.75 -79.83 -45.45 . . 0 "[ . 1 . 2]"
21 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 ARG N -59.90 -19.90 -19.79 -15.41 -15.81 6.21 3 3 "[ + . 1 *. - 2]"
22 . 1 14 LYS C 1 15 ARG N 1 15 ARG CA 1 15 ARG C -105.00 -37.30 -52.67 -49.20 -49.44 . . 0 "[ . 1 . 2]"
23 . 1 15 ARG N 1 15 ARG CA 1 15 ARG C 1 16 ILE N -60.70 -12.90 -19.44 -32.04 -10.10 2.80 19 0 "[ . 1 . 2]"
24 . 1 15 ARG C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -92.20 -44.90 -68.36 -70.34 -72.02 . . 0 "[ . 1 . 2]"
25 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 GLU N -77.40 13.50 -15.65 -29.70 -2.72 . . 0 "[ . 1 . 2]"
26 . 1 16 ILE C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -125.80 -21.50 -58.54 -59.27 -61.09 . . 0 "[ . 1 . 2]"
27 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ALA N -61.50 2.10 -22.69 -25.14 -26.10 . . 0 "[ . 1 . 2]"
28 . 1 19 GLN C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -84.80 -44.80 -78.78 -80.57 -82.61 4.31 20 0 "[ . 1 . 2]"
29 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 ARG N -81.10 27.50 -31.16 3.21 -13.26 . . 0 "[ . 1 . 2]"
30 . 1 20 LYS C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -121.30 -36.00 -75.94 -66.31 -70.95 . . 0 "[ . 1 . 2]"
31 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 LYS N -64.80 9.60 -3.18 -24.89 14.05 4.45 20 0 "[ . 1 . 2]"
32 . 1 25 GLN C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -136.70 -44.90 -78.25 -67.20 -68.18 2.96 10 0 "[ . 1 . 2]"
33 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 ALA N 106.70 161.70 111.66 101.96 137.83 4.74 15 0 "[ . 1 . 2]"
34 . 1 26 GLU C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -152.20 -12.20 -150.72 -153.59 -154.55 3.65 12 0 "[ . 1 . 2]"
35 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 HIS N 67.00 -153.00 -155.26 -166.74 -148.63 4.37 12 0 "[ . 1 . 2]"
36 . 1 29 LEU C 1 30 TYR N 1 30 TYR CA 1 30 TYR C -102.20 -59.00 -63.18 -74.73 -57.84 1.16 10 0 "[ . 1 . 2]"
37 . 1 30 TYR N 1 30 TYR CA 1 30 TYR C 1 31 MET N -58.40 5.50 27.06 24.07 31.11 25.61 17 20 [****************+-**]
38 . 1 30 TYR C 1 31 MET N 1 31 MET CA 1 31 MET C -165.20 -25.20 -36.18 -29.68 -31.93 1.24 17 0 "[ . 1 . 2]"
39 . 1 31 MET N 1 31 MET CA 1 31 MET C 1 32 GLN N 86.50 -155.90 131.05 120.56 139.53 . . 0 "[ . 1 . 2]"
40 . 1 31 MET C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -145.30 -89.60 -85.63 -87.66 -83.81 5.79 14 3 "[ . *1 +- 2]"
41 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 VAL N 112.20 155.80 138.27 108.59 150.24 3.61 13 0 "[ . 1 . 2]"
42 . 1 32 GLN C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -134.20 -92.10 -127.13 -132.97 -133.95 2.56 9 0 "[ . 1 . 2]"
43 . 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 GLN N 105.20 145.20 122.60 117.32 126.68 . . 0 "[ . 1 . 2]"
44 . 1 33 VAL C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -151.20 -84.10 -84.06 -83.44 -83.60 2.97 19 0 "[ . 1 . 2]"
45 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 ILE N 96.70 171.30 108.53 95.31 121.04 1.39 7 0 "[ . 1 . 2]"
46 . 1 34 GLN C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -142.60 -77.30 -110.50 -107.00 -111.15 . . 0 "[ . 1 . 2]"
47 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 VAL N 100.30 140.30 140.82 134.17 144.76 4.46 11 0 "[ . 1 . 2]"
48 . 1 35 ILE C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -139.20 -82.40 -133.90 -135.52 -136.11 . . 0 "[ . 1 . 2]"
49 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 ALA N 101.10 141.10 132.38 112.87 142.36 1.26 4 0 "[ . 1 . 2]"
50 . 1 36 VAL C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -167.40 -47.20 -134.00 -167.27 -94.22 . . 0 "[ . 1 . 2]"
51 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 GLU N 87.90 175.50 145.91 175.45 170.62 2.47 2 0 "[ . 1 . 2]"
52 . 1 38 GLU C 1 39 ASP N 1 39 ASP CA 1 39 ASP C -88.30 -43.30 -75.72 -58.25 -67.60 2.24 5 0 "[ . 1 . 2]"
53 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 GLN N -76.20 8.80 -10.99 -39.61 10.97 2.17 10 0 "[ . 1 . 2]"
54 . 1 39 ASP C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -92.50 -46.80 -59.02 -49.22 -51.74 . . 0 "[ . 1 . 2]"
55 . 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 PHE N -76.40 13.20 -39.99 -60.99 -16.97 . . 0 "[ . 1 . 2]"
56 . 1 40 GLN C 1 41 PHE N 1 41 PHE CA 1 41 PHE C -137.20 -43.00 -73.54 -128.12 -48.72 . . 0 "[ . 1 . 2]"
57 . 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 CYS N -73.00 28.20 -30.69 -73.84 13.07 0.84 16 0 "[ . 1 . 2]"
58 . 1 50 TYR C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -157.20 -17.20 -86.77 -76.31 -78.32 . . 0 "[ . 1 . 2]"
59 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 GLU N 65.90 -154.10 99.40 80.52 115.01 . . 0 "[ . 1 . 2]"
60 . 1 51 ASP C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -100.80 -35.10 -66.05 -73.25 -60.39 . . 0 "[ . 1 . 2]"
61 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 GLU N -59.50 11.40 -14.68 -12.43 -12.96 . . 0 "[ . 1 . 2]"
62 . 1 52 GLU C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -99.90 -47.90 -82.58 -100.41 -68.44 0.51 18 0 "[ . 1 . 2]"
63 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 LYS N -74.30 21.60 -22.72 -36.12 -46.12 0.46 18 0 "[ . 1 . 2]"
64 . 1 53 GLU C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -136.00 -71.40 -131.68 -140.97 -103.92 4.97 18 0 "[ . 1 . 2]"
65 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 VAL N -64.60 39.70 22.32 -32.85 42.19 2.49 3 0 "[ . 1 . 2]"
66 . 1 54 LYS C 1 55 VAL N 1 55 VAL CA 1 55 VAL C 167.80 -52.20 -67.79 -75.85 -59.05 . . 0 "[ . 1 . 2]"
67 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 LYS N 86.70 177.20 168.32 148.79 179.87 2.67 3 0 "[ . 1 . 2]"
68 . 1 55 VAL C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -174.10 -34.10 -68.34 -85.21 -51.96 . . 0 "[ . 1 . 2]"
69 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 TYR N 67.30 -152.70 -174.11 170.66 161.98 2.64 16 0 "[ . 1 . 2]"
70 . 1 56 LYS C 1 57 TYR N 1 57 TYR CA 1 57 TYR C -129.80 -43.70 -52.78 -49.91 -50.47 1.51 14 0 "[ . 1 . 2]"
71 . 1 57 TYR N 1 57 TYR CA 1 57 TYR C 1 58 THR N 91.50 165.30 103.33 102.56 101.30 . . 0 "[ . 1 . 2]"
72 . 1 57 TYR C 1 58 THR N 1 58 THR CA 1 58 THR C -129.80 -75.50 -76.88 -89.22 -71.20 4.30 9 0 "[ . 1 . 2]"
73 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 VAL N 108.50 148.50 124.46 112.77 111.34 0.19 1 0 "[ . 1 . 2]"
74 . 1 58 THR C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -135.90 -92.60 -105.15 -90.62 -91.91 3.01 7 0 "[ . 1 . 2]"
75 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 PHE N 100.70 168.90 109.75 107.95 106.69 1.02 14 0 "[ . 1 . 2]"
76 . 1 59 VAL C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -131.50 -86.60 -103.40 -126.48 -92.28 . . 0 "[ . 1 . 2]"
77 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 LYS N 93.40 155.70 124.54 118.32 115.91 . . 0 "[ . 1 . 2]"
78 . 1 60 PHE C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -114.90 -74.90 -93.73 -96.09 -98.18 0.63 19 0 "[ . 1 . 2]"
79 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 VAL N 110.00 150.00 108.55 107.51 106.76 4.58 1 0 "[ . 1 . 2]"
80 . 1 61 LYS C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -154.70 -98.10 -134.29 -137.66 -140.42 . . 0 "[ . 1 . 2]"
81 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 LEU N 104.40 178.20 155.49 144.11 169.08 . . 0 "[ . 1 . 2]"
82 . 1 62 VAL C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -104.10 -54.10 -72.41 -81.12 -64.48 . . 0 "[ . 1 . 2]"
83 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 LYS N 98.50 157.30 112.70 109.65 108.60 . . 0 "[ . 1 . 2]"
84 . 1 63 LEU C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -74.10 -34.10 -62.16 -67.99 -53.51 . . 0 "[ . 1 . 2]"
85 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 ASN N -53.30 -13.30 -30.35 -29.12 -31.33 . . 0 "[ . 1 . 2]"
86 . 1 64 LYS C 1 65 ASN N 1 65 ASN CA 1 65 ASN C -112.30 -53.00 -82.45 -93.64 -74.68 . . 0 "[ . 1 . 2]"
87 . 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 SER N -25.10 14.90 -5.11 -3.99 -7.36 0.58 17 0 "[ . 1 . 2]"
88 . 1 65 ASN C 1 66 SER N 1 66 SER CA 1 66 SER C -132.50 -40.20 -92.23 -99.79 -103.51 . . 0 "[ . 1 . 2]"
89 . 1 66 SER N 1 66 SER CA 1 66 SER C 1 67 SER N 85.20 -134.80 161.89 145.77 171.05 . . 0 "[ . 1 . 2]"
90 . 1 66 SER C 1 67 SER N 1 67 SER CA 1 67 SER C -102.60 -61.10 -68.62 -77.10 -60.73 0.37 10 0 "[ . 1 . 2]"
91 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 LEU N 141.10 -177.10 153.18 154.91 153.17 . . 0 "[ . 1 . 2]"
92 . 1 67 SER C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -107.10 -22.50 -67.05 -74.03 -61.88 . . 0 "[ . 1 . 2]"
93 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ALA N -74.30 5.20 -28.53 -34.36 -23.40 . . 0 "[ . 1 . 2]"
94 . 1 68 LEU C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -83.50 -43.50 -55.66 -61.80 -46.20 . . 0 "[ . 1 . 2]"
95 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 GLU N -62.70 -22.70 -33.76 -36.89 -38.27 . . 0 "[ . 1 . 2]"
96 . 1 69 ALA C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -85.20 -45.20 -70.48 -75.47 -66.39 . . 0 "[ . 1 . 2]"
97 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 PHE N -58.00 -18.00 -39.51 -45.95 -35.49 . . 0 "[ . 1 . 2]"
98 . 1 70 GLU C 1 71 PHE N 1 71 PHE CA 1 71 PHE C -90.50 -50.50 -64.36 -64.59 -66.15 . . 0 "[ . 1 . 2]"
99 . 1 71 PHE N 1 71 PHE CA 1 71 PHE C 1 72 VAL N -62.40 -22.40 -41.72 -50.67 -34.87 . . 0 "[ . 1 . 2]"
100 . 1 71 PHE C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -82.10 -42.10 -63.68 -67.94 -61.19 . . 0 "[ . 1 . 2]"
101 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 GLN N -62.00 -22.00 -50.37 -51.11 -52.06 . . 0 "[ . 1 . 2]"
102 . 1 72 VAL C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -81.00 -41.00 -64.72 -63.34 -63.96 . . 0 "[ . 1 . 2]"
103 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 SER N -59.70 -19.70 -34.22 -40.05 -27.48 . . 0 "[ . 1 . 2]"
104 . 1 73 GLN C 1 74 SER N 1 74 SER CA 1 74 SER C -84.90 -44.90 -63.95 -65.87 -66.34 . . 0 "[ . 1 . 2]"
105 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 LEU N -57.80 -17.80 -47.79 -44.90 -45.35 0.22 7 0 "[ . 1 . 2]"
106 . 1 74 SER C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -83.70 -43.70 -67.76 -69.21 -69.83 . . 0 "[ . 1 . 2]"
107 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 SER N -61.10 -21.10 -29.24 -29.75 -30.15 . . 0 "[ . 1 . 2]"
108 . 1 75 LEU C 1 76 SER N 1 76 SER CA 1 76 SER C -85.30 -45.30 -68.48 -79.93 -61.74 . . 0 "[ . 1 . 2]"
109 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 GLN N -56.60 -13.50 -41.92 -44.48 -45.63 . . 0 "[ . 1 . 2]"
110 . 1 76 SER C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -87.10 -47.10 -80.75 -87.72 -73.15 0.62 14 0 "[ . 1 . 2]"
111 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 THR N -56.80 -14.40 -29.07 -32.23 -33.48 . . 0 "[ . 1 . 2]"
112 . 1 77 GLN C 1 78 THR N 1 78 THR CA 1 78 THR C -93.80 -47.70 -81.65 -94.68 -67.06 0.88 19 0 "[ . 1 . 2]"
113 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 MET N -61.70 -21.70 -32.69 -24.84 -27.30 0.48 4 0 "[ . 1 . 2]"
114 . 1 78 THR C 1 79 MET N 1 79 MET CA 1 79 MET C -128.90 -46.40 -109.10 -123.95 -94.97 . . 0 "[ . 1 . 2]"
115 . 1 79 MET N 1 79 MET CA 1 79 MET C 1 80 GLY N -57.80 24.10 -25.47 -10.85 -13.37 . . 0 "[ . 1 . 2]"
116 . 1 80 GLY C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -173.20 -33.20 -77.51 -76.40 -78.29 . . 0 "[ . 1 . 2]"
117 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 PRO N 51.60 -168.40 134.57 138.25 136.16 . . 0 "[ . 1 . 2]"
118 . 1 82 PRO N 1 82 PRO CA 1 82 PRO C 1 83 GLN N 126.20 166.20 125.06 121.89 129.57 4.31 14 0 "[ . 1 . 2]"
119 . 1 82 PRO C 1 83 GLN N 1 83 GLN CA 1 83 GLN C -79.50 -30.90 -61.82 -60.00 -60.97 . . 0 "[ . 1 . 2]"
120 . 1 83 GLN N 1 83 GLN CA 1 83 GLN C 1 84 ASP N -60.30 -9.40 -29.03 -28.83 -29.57 . . 0 "[ . 1 . 2]"
121 . 1 83 GLN C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -101.50 -52.00 -68.14 -80.22 -58.07 . . 0 "[ . 1 . 2]"
122 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 GLN N -28.90 15.40 -27.65 -32.04 -7.67 3.14 16 0 "[ . 1 . 2]"
123 . 1 84 ASP C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -127.10 -67.60 -113.16 -127.92 -88.57 0.82 19 0 "[ . 1 . 2]"
124 . 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 ILE N -40.50 28.80 4.78 12.21 9.80 . . 0 "[ . 1 . 2]"
125 . 1 85 GLN C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -147.90 -32.50 -65.80 -71.46 -73.55 . . 0 "[ . 1 . 2]"
126 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 ARG N 78.00 159.50 103.85 91.56 121.05 . . 0 "[ . 1 . 2]"
127 . 1 86 ILE C 1 87 ARG N 1 87 ARG CA 1 87 ARG C -142.90 -65.30 -100.80 -94.93 -96.49 . . 0 "[ . 1 . 2]"
128 . 1 87 ARG N 1 87 ARG CA 1 87 ARG C 1 88 LEU N 99.70 172.80 134.85 100.24 162.84 . . 0 "[ . 1 . 2]"
129 . 1 87 ARG C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -149.60 -91.30 -108.61 -141.68 -88.99 2.31 16 0 "[ . 1 . 2]"
130 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 TRP N 109.90 171.90 135.94 136.96 136.47 . . 0 "[ . 1 . 2]"
131 . 1 88 LEU C 1 89 TRP N 1 89 TRP CA 1 89 TRP C -155.20 -58.80 -125.45 -137.63 -115.37 . . 0 "[ . 1 . 2]"
132 . 1 89 TRP N 1 89 TRP CA 1 89 TRP C 1 90 PRO N 111.70 164.20 112.26 107.42 119.92 4.28 16 0 "[ . 1 . 2]"
133 . 1 90 PRO C 1 91 MET N 1 91 MET CA 1 91 MET C -167.90 -27.90 -61.50 -66.21 -70.05 . . 0 "[ . 1 . 2]"
134 . 1 91 MET N 1 91 MET CA 1 91 MET C 1 92 GLN N 60.50 -159.50 104.11 59.97 151.51 0.53 16 0 "[ . 1 . 2]"
135 . 1 91 MET C 1 92 GLN N 1 92 GLN CA 1 92 GLN C -161.10 -49.50 -119.85 -110.55 -123.94 . . 0 "[ . 1 . 2]"
136 . 1 92 GLN N 1 92 GLN CA 1 92 GLN C 1 93 ALA N 76.50 -174.10 124.12 77.30 -173.44 0.66 1 0 "[ . 1 . 2]"
137 . 1 94 ARG C 1 95 SER N 1 95 SER CA 1 95 SER C -169.30 -33.80 -93.69 -91.07 -112.11 . . 0 "[ . 1 . 2]"
138 . 1 95 SER N 1 95 SER CA 1 95 SER C 1 96 ASN N 51.40 -168.60 128.08 45.62 -166.14 5.78 10 1 "[ . + . 2]"
139 . 1 95 SER C 1 96 ASN N 1 96 ASN CA 1 96 ASN C -147.80 -7.80 -94.53 -153.10 -52.52 5.30 7 1 "[ . + 1 . 2]"
140 . 1 96 ASN N 1 96 ASN CA 1 96 ASN C 1 97 GLY N 111.10 160.40 126.28 116.41 112.11 4.47 5 0 "[ . 1 . 2]"
141 . 1 101 PRO N 1 101 PRO CA 1 101 PRO C 1 102 ALA N 125.80 173.20 145.39 150.93 139.04 2.77 19 0 "[ . 1 . 2]"
142 . 1 101 PRO C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -150.50 -75.50 -136.53 -148.52 -150.94 1.60 10 0 "[ . 1 . 2]"
143 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 MET N 89.40 169.50 156.23 143.02 171.41 1.91 17 0 "[ . 1 . 2]"
144 . 1 102 ALA C 1 103 MET N 1 103 MET CA 1 103 MET C -177.90 -37.90 -77.27 -81.29 -83.84 . . 0 "[ . 1 . 2]"
145 . 1 103 MET N 1 103 MET CA 1 103 MET C 1 104 LEU N 101.50 175.70 165.73 160.42 158.58 0.01 18 0 "[ . 1 . 2]"
146 . 1 103 MET C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -154.90 -14.90 -71.95 -72.77 -73.75 . . 0 "[ . 1 . 2]"
147 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 ASP N 102.30 158.00 145.73 150.95 149.17 0.76 5 0 "[ . 1 . 2]"
148 . 1 104 LEU C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -127.20 -64.30 -66.93 -91.42 -61.95 2.35 5 0 "[ . 1 . 2]"
149 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 ASN N 65.70 170.40 108.59 88.35 135.24 . . 0 "[ . 1 . 2]"
150 . 1 106 ASN C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -78.80 -38.80 -71.88 -80.30 -61.61 1.50 16 0 "[ . 1 . 2]"
151 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 ALA N -60.10 -20.10 -46.71 -62.38 -27.93 2.28 18 0 "[ . 1 . 2]"
152 . 1 107 GLU C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -85.90 -45.90 -70.45 -72.53 -73.55 0.98 19 0 "[ . 1 . 2]"
153 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 ASP N -61.70 -15.40 -56.58 -62.70 -45.07 1.00 7 0 "[ . 1 . 2]"
154 . 1 108 ALA C 1 109 ASP N 1 109 ASP CA 1 109 ASP C -126.90 -61.00 -77.28 -84.27 -87.86 . . 0 "[ . 1 . 2]"
155 . 1 109 ASP N 1 109 ASP CA 1 109 ASP C 1 110 GLY N -57.80 35.90 -3.35 35.81 34.79 3.02 8 0 "[ . 1 . 2]"
156 . 1 110 GLY C 1 111 ASN N 1 111 ASN CA 1 111 ASN C -118.80 -72.30 -111.63 -120.60 -120.95 5.26 6 1 "[ .+ 1 . 2]"
157 . 1 111 ASN N 1 111 ASN CA 1 111 ASN C 1 112 LYS N -31.10 21.60 -28.00 -36.92 -37.43 6.33 1 6 "[+** -* 1 . * 2]"
158 . 1 111 ASN C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -141.10 -1.10 -117.38 -94.37 -97.99 2.21 19 0 "[ . 1 . 2]"
159 . 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 THR N 87.70 -174.10 -176.48 174.37 -172.69 1.41 4 0 "[ . 1 . 2]"
160 . 1 112 LYS C 1 113 THR N 1 113 THR CA 1 113 THR C -121.70 -60.40 -76.28 -73.46 -74.21 . . 0 "[ . 1 . 2]"
161 . 1 113 THR N 1 113 THR CA 1 113 THR C 1 114 MET N 144.00 -176.00 155.49 153.41 153.29 . . 0 "[ . 1 . 2]"
162 . 1 113 THR C 1 114 MET N 1 114 MET CA 1 114 MET C -84.60 -44.60 -83.58 -86.42 -78.60 1.82 3 0 "[ . 1 . 2]"
163 . 1 114 MET N 1 114 MET CA 1 114 MET C 1 115 ILE N -39.90 0.10 -5.70 -2.72 -4.13 0.37 18 0 "[ . 1 . 2]"
164 . 1 114 MET C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -123.10 -57.20 -67.11 -72.19 -62.79 . . 0 "[ . 1 . 2]"
165 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 GLU N -47.50 32.10 -30.47 -29.45 -29.96 . . 0 "[ . 1 . 2]"
166 . 1 115 ILE C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -93.10 -38.60 -70.08 -75.24 -66.29 . . 0 "[ . 1 . 2]"
167 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 LEU N -73.60 20.20 -33.89 -29.84 -30.46 . . 0 "[ . 1 . 2]"
168 . 1 116 GLU C 1 117 LEU N 1 117 LEU CA 1 117 LEU C -88.10 -48.10 -83.79 -90.68 -70.03 2.58 16 0 "[ . 1 . 2]"
169 . 1 117 LEU N 1 117 LEU CA 1 117 LEU C 1 118 SER N -63.40 -18.80 -43.03 -50.38 -37.58 . . 0 "[ . 1 . 2]"
170 . 1 117 LEU C 1 118 SER N 1 118 SER CA 1 118 SER C -106.60 -49.00 -69.57 -68.31 -68.80 . . 0 "[ . 1 . 2]"
171 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 ASP N -44.80 7.20 -30.13 -23.60 -25.99 . . 0 "[ . 1 . 2]"
172 . 1 119 ASP C 1 120 ASN N 1 120 ASN CA 1 120 ASN C 36.30 86.20 68.93 73.41 72.75 . . 0 "[ . 1 . 2]"
173 . 1 120 ASN N 1 120 ASN CA 1 120 ASN C 1 121 GLU N -10.40 57.70 18.39 25.42 22.43 . . 0 "[ . 1 . 2]"
174 . 1 121 GLU C 1 122 ASN N 1 122 ASN CA 1 122 ASN C -159.20 -69.70 -156.42 -160.82 -142.47 1.62 19 0 "[ . 1 . 2]"
175 . 1 122 ASN N 1 122 ASN CA 1 122 ASN C 1 123 PRO N 75.00 -166.50 133.86 138.79 138.41 . . 0 "[ . 1 . 2]"
176 . 1 123 PRO N 1 123 PRO CA 1 123 PRO C 1 124 TRP N 128.40 172.80 132.03 127.58 127.10 3.66 18 0 "[ . 1 . 2]"
177 . 1 123 PRO C 1 124 TRP N 1 124 TRP CA 1 124 TRP C -174.20 -60.40 -89.37 -119.34 -75.81 . . 0 "[ . 1 . 2]"
178 . 1 124 TRP N 1 124 TRP CA 1 124 TRP C 1 125 THR N 97.00 157.90 115.30 116.99 116.61 . . 0 "[ . 1 . 2]"
179 . 1 124 TRP C 1 125 THR N 1 125 THR CA 1 125 THR C -127.80 -79.00 -83.00 -99.89 -77.13 1.87 7 0 "[ . 1 . 2]"
180 . 1 125 THR N 1 125 THR CA 1 125 THR C 1 126 ILE N 109.50 149.50 130.08 134.06 133.15 . . 0 "[ . 1 . 2]"
181 . 1 125 THR C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -152.70 -92.70 -148.45 -150.21 -151.28 1.74 13 0 "[ . 1 . 2]"
182 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 PHE N 119.60 159.60 151.91 157.34 153.12 1.33 9 0 "[ . 1 . 2]"
183 . 1 126 ILE C 1 127 PHE N 1 127 PHE CA 1 127 PHE C -145.40 -59.40 -104.22 -119.63 -81.44 . . 0 "[ . 1 . 2]"
184 . 1 127 PHE N 1 127 PHE CA 1 127 PHE C 1 128 LEU N 82.50 149.90 135.58 122.54 143.06 . . 0 "[ . 1 . 2]"
185 . 1 127 PHE C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -133.70 -73.20 -90.84 -95.45 -97.71 . . 0 "[ . 1 . 2]"
186 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 GLU N 108.10 148.10 128.28 114.00 140.16 . . 0 "[ . 1 . 2]"
187 . 1 128 LEU C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -149.80 -74.80 -120.16 -137.83 -101.81 . . 0 "[ . 1 . 2]"
188 . 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 THR N 97.10 155.70 148.28 150.85 149.27 0.68 15 0 "[ . 1 . 2]"
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