NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629765 |
6emq   |
34181 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6emq
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 180
_TA_constraint_stats_list.Viol_count 239
_TA_constraint_stats_list.Viol_total 13004.92
_TA_constraint_stats_list.Viol_max 5.02
_TA_constraint_stats_list.Viol_rms 0.41
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 1.36
_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 6 TRP C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -79.70 -48.90 -63.53 -79.64 -49.03 . . 0 "[ . 1 . 2 . 3 . 4]"
2 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 THR N -58.70 -17.90 -37.19 -49.89 -17.84 0.06 13 0 "[ . 1 . 2 . 3 . 4]"
3 . 1 7 GLU C 1 8 THR N 1 8 THR CA 1 8 THR C -85.80 -52.60 -66.33 -79.34 -59.75 . . 0 "[ . 1 . 2 . 3 . 4]"
4 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 SER N -70.40 9.40 -29.40 -30.69 -30.78 . . 0 "[ . 1 . 2 . 3 . 4]"
5 . 1 8 THR C 1 9 SER N 1 9 SER CA 1 9 SER C -94.00 -43.20 -75.31 -68.02 -69.18 0.18 6 0 "[ . 1 . 2 . 3 . 4]"
6 . 1 9 SER N 1 9 SER CA 1 9 SER C 1 10 MET N -85.60 21.60 -27.37 -40.34 -40.51 . . 0 "[ . 1 . 2 . 3 . 4]"
7 . 1 9 SER C 1 10 MET N 1 10 MET CA 1 10 MET C -103.30 -30.30 -68.62 -86.95 -48.38 . . 0 "[ . 1 . 2 . 3 . 4]"
8 . 1 10 MET N 1 10 MET CA 1 10 MET C 1 11 ASP N -62.40 -18.00 -40.98 -40.68 -41.16 . . 0 "[ . 1 . 2 . 3 . 4]"
9 . 1 10 MET C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -73.00 -47.60 -61.51 -68.74 -55.10 . . 0 "[ . 1 . 2 . 3 . 4]"
10 . 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 SER N -48.80 -28.80 -38.55 -37.57 -39.58 0.05 39 0 "[ . 1 . 2 . 3 . 4]"
11 . 1 11 ASP C 1 12 SER N 1 12 SER CA 1 12 SER C -79.30 -53.10 -66.08 -75.40 -57.27 . . 0 "[ . 1 . 2 . 3 . 4]"
12 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 ARG N -53.50 -26.70 -34.80 -41.96 -26.41 0.29 19 0 "[ . 1 . 2 . 3 . 4]"
13 . 1 12 SER C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -73.70 -53.70 -68.35 -78.72 -62.16 5.02 29 1 "[ . 1 . 2 . +3 . 4]"
14 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 LEU N -54.30 -34.30 -45.22 -48.83 -52.27 0.75 9 0 "[ . 1 . 2 . 3 . 4]"
15 . 1 13 ARG C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -71.80 -51.80 -62.12 -61.40 -61.61 . . 0 "[ . 1 . 2 . 3 . 4]"
16 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLN N -49.90 -27.90 -40.87 -40.58 -40.60 . . 0 "[ . 1 . 2 . 3 . 4]"
17 . 1 14 LEU C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -76.30 -53.30 -66.75 -71.93 -60.02 . . 0 "[ . 1 . 2 . 3 . 4]"
18 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 ARG N -50.50 -24.50 -39.37 -47.82 -28.61 . . 0 "[ . 1 . 2 . 3 . 4]"
19 . 1 15 GLN C 1 16 ARG N 1 16 ARG CA 1 16 ARG C -77.10 -57.10 -62.25 -63.38 -65.04 . . 0 "[ . 1 . 2 . 3 . 4]"
20 . 1 16 ARG N 1 16 ARG CA 1 16 ARG C 1 17 ILE N -54.90 -26.50 -45.51 -49.84 -40.13 . . 0 "[ . 1 . 2 . 3 . 4]"
21 . 1 16 ARG C 1 17 ILE N 1 17 ILE CA 1 17 ILE C -74.50 -51.70 -62.81 -62.32 -62.79 . . 0 "[ . 1 . 2 . 3 . 4]"
22 . 1 17 ILE N 1 17 ILE CA 1 17 ILE C 1 18 HIS N -53.20 -33.00 -43.13 -46.26 -40.94 . . 0 "[ . 1 . 2 . 3 . 4]"
23 . 1 17 ILE C 1 18 HIS N 1 18 HIS CA 1 18 HIS C -71.10 -49.70 -58.96 -61.38 -56.02 . . 0 "[ . 1 . 2 . 3 . 4]"
24 . 1 18 HIS N 1 18 HIS CA 1 18 HIS C 1 19 ALA N -52.70 -31.50 -40.65 -37.93 -38.98 . . 0 "[ . 1 . 2 . 3 . 4]"
25 . 1 18 HIS C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -71.20 -51.20 -67.80 -67.67 -67.99 0.02 16 0 "[ . 1 . 2 . 3 . 4]"
26 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 GLU N -50.70 -30.70 -41.75 -44.81 -36.61 . . 0 "[ . 1 . 2 . 3 . 4]"
27 . 1 19 ALA C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -74.10 -54.10 -62.07 -61.62 -61.75 . . 0 "[ . 1 . 2 . 3 . 4]"
28 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 ILE N -52.10 -32.10 -46.04 -52.04 -40.42 . . 0 "[ . 1 . 2 . 3 . 4]"
29 . 1 20 GLU C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -74.80 -54.80 -56.92 -60.04 -54.78 0.02 35 0 "[ . 1 . 2 . 3 . 4]"
30 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 LYS N -59.70 -30.30 -46.90 -50.35 -44.22 . . 0 "[ . 1 . 2 . 3 . 4]"
31 . 1 21 ILE C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -70.10 -50.10 -66.62 -67.95 -68.74 0.08 16 0 "[ . 1 . 2 . 3 . 4]"
32 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ASN N -52.40 -32.40 -42.33 -42.22 -42.59 . . 0 "[ . 1 . 2 . 3 . 4]"
33 . 1 22 LYS C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -75.20 -55.20 -68.91 -75.22 -62.78 0.02 29 0 "[ . 1 . 2 . 3 . 4]"
34 . 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 SER N -53.90 -21.50 -35.93 -35.87 -36.20 . . 0 "[ . 1 . 2 . 3 . 4]"
35 . 1 23 ASN C 1 24 SER N 1 24 SER CA 1 24 SER C -85.90 -51.30 -76.45 -74.63 -75.01 . . 0 "[ . 1 . 2 . 3 . 4]"
36 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 LEU N -44.10 -0.70 -19.49 -18.11 -19.17 . . 0 "[ . 1 . 2 . 3 . 4]"
37 . 1 24 SER C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -109.10 -86.90 -110.72 -113.99 -108.75 4.89 2 0 "[ . 1 . 2 . 3 . 4]"
38 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 LYS N -19.60 37.40 37.62 33.64 42.37 4.97 40 0 "[ . 1 . 2 . 3 . 4]"
39 . 1 26 LYS C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -70.20 -41.60 -61.54 -60.10 -60.46 . . 0 "[ . 1 . 2 . 3 . 4]"
40 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 ASP N -55.80 -16.40 -39.57 -39.71 -39.76 . . 0 "[ . 1 . 2 . 3 . 4]"
41 . 1 27 ILE C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -93.50 -49.30 -70.81 -81.23 -65.80 . . 0 "[ . 1 . 2 . 3 . 4]"
42 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 ASN N -55.70 13.30 -28.74 -29.76 -29.91 . . 0 "[ . 1 . 2 . 3 . 4]"
43 . 1 29 ASN C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -133.10 -37.90 -103.86 -115.23 -96.85 . . 0 "[ . 1 . 2 . 3 . 4]"
44 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ASP N 102.90 161.30 118.42 113.33 124.09 . . 0 "[ . 1 . 2 . 3 . 4]"
45 . 1 30 LEU C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -133.10 -37.90 -119.75 -119.20 -119.75 . . 0 "[ . 1 . 2 . 3 . 4]"
46 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 VAL N 67.70 -159.90 93.20 87.42 100.04 . . 0 "[ . 1 . 2 . 3 . 4]"
47 . 1 31 ASP C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -69.80 -48.60 -59.48 -60.76 -61.15 . . 0 "[ . 1 . 2 . 3 . 4]"
48 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 ASN N -65.10 -12.30 -41.98 -46.24 -38.03 . . 0 "[ . 1 . 2 . 3 . 4]"
49 . 1 32 VAL C 1 33 ASN N 1 33 ASN CA 1 33 ASN C -73.60 -53.60 -64.70 -64.29 -64.36 . . 0 "[ . 1 . 2 . 3 . 4]"
50 . 1 33 ASN N 1 33 ASN CA 1 33 ASN C 1 34 ARG N -53.10 -21.50 -45.09 -43.09 -43.49 . . 0 "[ . 1 . 2 . 3 . 4]"
51 . 1 33 ASN C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -74.50 -54.50 -62.39 -69.59 -57.87 . . 0 "[ . 1 . 2 . 3 . 4]"
52 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 CYS N -51.60 -27.80 -36.23 -40.44 -42.13 . . 0 "[ . 1 . 2 . 3 . 4]"
53 . 1 34 ARG C 1 35 CYS N 1 35 CYS CA 1 35 CYS C -75.60 -51.80 -65.91 -64.73 -65.00 . . 0 "[ . 1 . 2 . 3 . 4]"
54 . 1 35 CYS N 1 35 CYS CA 1 35 CYS C 1 36 ILE N -56.30 -27.70 -39.78 -43.21 -35.08 . . 0 "[ . 1 . 2 . 3 . 4]"
55 . 1 35 CYS C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -73.60 -53.60 -62.13 -59.85 -60.43 . . 0 "[ . 1 . 2 . 3 . 4]"
56 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 GLU N -54.50 -34.50 -45.44 -46.77 -47.12 . . 0 "[ . 1 . 2 . 3 . 4]"
57 . 1 36 ILE C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -75.60 -48.20 -63.21 -62.25 -62.80 . . 0 "[ . 1 . 2 . 3 . 4]"
58 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 ALA N -55.90 -26.50 -40.94 -46.23 -28.09 . . 0 "[ . 1 . 2 . 3 . 4]"
59 . 1 37 GLU C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -77.40 -55.00 -59.04 -63.27 -55.24 . . 0 "[ . 1 . 2 . 3 . 4]"
60 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 LEU N -51.80 -31.80 -43.83 -43.18 -43.68 . . 0 "[ . 1 . 2 . 3 . 4]"
61 . 1 38 ALA C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -73.40 -53.40 -68.18 -71.99 -63.13 . . 0 "[ . 1 . 2 . 3 . 4]"
62 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 ASP N -50.70 -29.50 -37.11 -42.84 -31.05 . . 0 "[ . 1 . 2 . 3 . 4]"
63 . 1 39 LEU C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -75.20 -55.20 -72.44 -69.98 -70.38 0.04 33 0 "[ . 1 . 2 . 3 . 4]"
64 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 GLU N -49.00 -29.00 -36.27 -43.72 -30.57 . . 0 "[ . 1 . 2 . 3 . 4]"
65 . 1 40 ASP C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -76.50 -56.30 -61.97 -66.72 -57.12 . . 0 "[ . 1 . 2 . 3 . 4]"
66 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 LEU N -50.10 -30.10 -42.55 -44.88 -45.68 . . 0 "[ . 1 . 2 . 3 . 4]"
67 . 1 41 GLU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -73.10 -53.10 -62.90 -66.74 -59.90 . . 0 "[ . 1 . 2 . 3 . 4]"
68 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 ALA N -54.60 -14.60 -34.23 -32.71 -32.90 . . 0 "[ . 1 . 2 . 3 . 4]"
69 . 1 42 LEU C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -80.50 -55.50 -68.93 -74.05 -64.71 . . 0 "[ . 1 . 2 . 3 . 4]"
70 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 SER N -53.60 9.40 -34.31 -34.28 -34.53 . . 0 "[ . 1 . 2 . 3 . 4]"
71 . 1 43 ALA C 1 44 SER N 1 44 SER CA 1 44 SER C -127.30 -65.30 -75.84 -74.46 -74.74 . . 0 "[ . 1 . 2 . 3 . 4]"
72 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 LEU N -37.30 25.50 -23.06 -36.01 -16.02 . . 0 "[ . 1 . 2 . 3 . 4]"
73 . 1 46 GLN C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -137.50 -66.30 -76.95 -73.00 -73.77 . . 0 "[ . 1 . 2 . 3 . 4]"
74 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 THR N 106.20 179.00 139.58 142.95 140.35 . . 0 "[ . 1 . 2 . 3 . 4]"
75 . 1 47 VAL C 1 48 THR N 1 48 THR CA 1 48 THR C -124.50 -59.50 -106.00 -121.06 -94.78 . . 0 "[ . 1 . 2 . 3 . 4]"
76 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 MET N 150.50 178.10 163.10 164.21 163.71 . . 0 "[ . 1 . 2 . 3 . 4]"
77 . 1 48 THR C 1 49 MET N 1 49 MET CA 1 49 MET C -70.90 -50.90 -54.69 -61.50 -51.46 . . 0 "[ . 1 . 2 . 3 . 4]"
78 . 1 49 MET N 1 49 MET CA 1 49 MET C 1 50 GLN N -49.60 -29.60 -39.92 -39.62 -39.84 . . 0 "[ . 1 . 2 . 3 . 4]"
79 . 1 49 MET C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -70.60 -50.60 -61.37 -64.88 -55.76 . . 0 "[ . 1 . 2 . 3 . 4]"
80 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 GLN N -58.10 -25.70 -37.89 -40.98 -42.04 . . 0 "[ . 1 . 2 . 3 . 4]"
81 . 1 50 GLN C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -75.30 -54.70 -74.71 -80.23 -65.73 4.93 37 0 "[ . 1 . 2 . 3 . 4]"
82 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 ALA N -57.10 -26.70 -37.83 -36.77 -36.99 . . 0 "[ . 1 . 2 . 3 . 4]"
83 . 1 51 GLN C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -78.20 -51.80 -61.96 -61.71 -62.08 . . 0 "[ . 1 . 2 . 3 . 4]"
84 . 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 GLN N -57.20 -23.60 -37.49 -43.27 -31.50 . . 0 "[ . 1 . 2 . 3 . 4]"
85 . 1 52 ALA C 1 53 GLN N 1 53 GLN CA 1 53 GLN C -84.50 -44.90 -61.50 -60.43 -60.75 . . 0 "[ . 1 . 2 . 3 . 4]"
86 . 1 53 GLN N 1 53 GLN CA 1 53 GLN C 1 54 LYS N -53.50 -24.30 -36.50 -47.21 -24.28 0.02 24 0 "[ . 1 . 2 . 3 . 4]"
87 . 1 53 GLN C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -130.20 -43.40 -72.38 -64.37 -65.44 . . 0 "[ . 1 . 2 . 3 . 4]"
88 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 HIS N -71.50 22.30 -35.42 -37.46 -40.26 . . 0 "[ . 1 . 2 . 3 . 4]"
89 . 1 54 LYS C 1 55 HIS N 1 55 HIS CA 1 55 HIS C -143.10 -37.30 -103.42 -126.08 -84.00 . . 0 "[ . 1 . 2 . 3 . 4]"
90 . 1 55 HIS N 1 55 HIS CA 1 55 HIS C 1 56 THR N -76.80 35.20 35.12 35.18 35.15 0.37 40 0 "[ . 1 . 2 . 3 . 4]"
91 . 1 55 HIS C 1 56 THR N 1 56 THR CA 1 56 THR C -71.40 -51.40 -59.14 -64.91 -56.24 . . 0 "[ . 1 . 2 . 3 . 4]"
92 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 GLU N -51.40 -27.80 -28.22 -27.83 -27.86 1.64 3 0 "[ . 1 . 2 . 3 . 4]"
93 . 1 56 THR C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -80.70 -55.50 -61.47 -59.26 -59.68 . . 0 "[ . 1 . 2 . 3 . 4]"
94 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 MET N -50.10 -28.70 -38.58 -46.54 -28.70 . . 0 "[ . 1 . 2 . 3 . 4]"
95 . 1 57 GLU C 1 58 MET N 1 58 MET CA 1 58 MET C -75.60 -54.80 -65.32 -66.10 -66.51 . . 0 "[ . 1 . 2 . 3 . 4]"
96 . 1 58 MET N 1 58 MET CA 1 58 MET C 1 59 ILE N -56.50 -24.50 -33.55 -37.66 -29.69 . . 0 "[ . 1 . 2 . 3 . 4]"
97 . 1 58 MET C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -69.90 -49.90 -69.15 -71.36 -66.72 1.46 5 0 "[ . 1 . 2 . 3 . 4]"
98 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 THR N -57.70 -29.70 -37.23 -36.41 -36.57 . . 0 "[ . 1 . 2 . 3 . 4]"
99 . 1 59 ILE C 1 60 THR N 1 60 THR CA 1 60 THR C -78.80 -51.80 -62.55 -62.92 -63.11 . . 0 "[ . 1 . 2 . 3 . 4]"
100 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 THR N -52.50 -18.70 -36.79 -36.10 -36.36 . . 0 "[ . 1 . 2 . 3 . 4]"
101 . 1 60 THR C 1 61 THR N 1 61 THR CA 1 61 THR C -74.60 -54.20 -61.96 -61.30 -61.80 . . 0 "[ . 1 . 2 . 3 . 4]"
102 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 LEU N -53.10 -33.10 -42.90 -40.67 -41.52 . . 0 "[ . 1 . 2 . 3 . 4]"
103 . 1 61 THR C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -75.30 -50.10 -58.53 -60.75 -55.74 . . 0 "[ . 1 . 2 . 3 . 4]"
104 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 LYS N -57.90 -34.30 -38.52 -42.54 -34.57 . . 0 "[ . 1 . 2 . 3 . 4]"
105 . 1 62 LEU C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -80.50 -48.50 -63.14 -62.94 -63.18 . . 0 "[ . 1 . 2 . 3 . 4]"
106 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 LYS N -55.80 -21.20 -38.72 -38.92 -39.28 . . 0 "[ . 1 . 2 . 3 . 4]"
107 . 1 63 LYS C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -105.60 -40.80 -69.98 -81.01 -62.21 . . 0 "[ . 1 . 2 . 3 . 4]"
108 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 ILE N -55.70 -23.50 -48.13 -46.96 -47.17 . . 0 "[ . 1 . 2 . 3 . 4]"
109 . 1 64 LYS C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -76.50 -54.10 -71.14 -75.29 -68.15 . . 0 "[ . 1 . 2 . 3 . 4]"
110 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 ARG N -60.60 -6.40 -8.55 -12.40 -5.03 1.37 40 0 "[ . 1 . 2 . 3 . 4]"
111 . 1 65 ILE C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -86.60 -46.00 -66.65 -68.53 -68.80 . . 0 "[ . 1 . 2 . 3 . 4]"
112 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ARG N -53.30 -8.10 -13.43 -27.41 -7.90 0.20 27 0 "[ . 1 . 2 . 3 . 4]"
113 . 1 66 ARG C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -129.60 -84.00 -104.81 -114.85 -89.79 . . 0 "[ . 1 . 2 . 3 . 4]"
114 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 PHE N -20.50 27.10 17.00 15.14 14.50 0.06 31 0 "[ . 1 . 2 . 3 . 4]"
115 . 1 68 PHE C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -94.60 -39.80 -62.00 -73.93 -56.49 . . 0 "[ . 1 . 2 . 3 . 4]"
116 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 VAL N -43.20 8.00 -23.59 -23.76 -24.10 . . 0 "[ . 1 . 2 . 3 . 4]"
117 . 1 69 LYS C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -106.00 -46.40 -65.87 -77.23 -60.97 . . 0 "[ . 1 . 2 . 3 . 4]"
118 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 SER N -67.80 10.40 -30.54 -29.45 -29.61 . . 0 "[ . 1 . 2 . 3 . 4]"
119 . 1 70 VAL C 1 71 SER N 1 71 SER CA 1 71 SER C -161.80 -25.00 -141.83 -146.56 -126.36 . . 0 "[ . 1 . 2 . 3 . 4]"
120 . 1 71 SER N 1 71 SER CA 1 71 SER C 1 72 GLN N 52.30 163.10 112.24 111.62 111.21 . . 0 "[ . 1 . 2 . 3 . 4]"
121 . 1 71 SER C 1 72 GLN N 1 72 GLN CA 1 72 GLN C -82.00 -35.40 -66.28 -69.90 -62.06 . . 0 "[ . 1 . 2 . 3 . 4]"
122 . 1 72 GLN N 1 72 GLN CA 1 72 GLN C 1 73 VAL N -62.50 -26.70 -29.96 -27.86 -28.43 1.61 40 0 "[ . 1 . 2 . 3 . 4]"
123 . 1 72 GLN C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -72.60 -50.20 -60.52 -66.87 -57.84 . . 0 "[ . 1 . 2 . 3 . 4]"
124 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 ILE N -51.60 -30.80 -40.78 -44.14 -36.86 . . 0 "[ . 1 . 2 . 3 . 4]"
125 . 1 73 VAL C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -78.30 -53.10 -66.55 -66.81 -67.05 . . 0 "[ . 1 . 2 . 3 . 4]"
126 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 MET N -54.00 -26.00 -42.23 -42.08 -42.11 . . 0 "[ . 1 . 2 . 3 . 4]"
127 . 1 74 ILE C 1 75 MET N 1 75 MET CA 1 75 MET C -72.20 -52.20 -58.77 -58.06 -58.30 . . 0 "[ . 1 . 2 . 3 . 4]"
128 . 1 75 MET N 1 75 MET CA 1 75 MET C 1 76 GLU N -53.40 -29.40 -45.89 -53.42 -38.31 0.02 35 0 "[ . 1 . 2 . 3 . 4]"
129 . 1 75 MET C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -77.60 -53.00 -65.48 -72.61 -60.81 . . 0 "[ . 1 . 2 . 3 . 4]"
130 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 LYS N -52.30 -31.30 -48.24 -47.01 -48.98 0.09 38 0 "[ . 1 . 2 . 3 . 4]"
131 . 1 76 GLU C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -71.60 -51.60 -63.00 -68.22 -57.48 . . 0 "[ . 1 . 2 . 3 . 4]"
132 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 SER N -50.40 -30.40 -40.25 -37.64 -38.18 . . 0 "[ . 1 . 2 . 3 . 4]"
133 . 1 77 LYS C 1 78 SER N 1 78 SER CA 1 78 SER C -79.50 -54.10 -67.09 -71.33 -63.35 . . 0 "[ . 1 . 2 . 3 . 4]"
134 . 1 78 SER N 1 78 SER CA 1 78 SER C 1 79 THR N -55.90 -15.50 -35.14 -33.14 -33.46 . . 0 "[ . 1 . 2 . 3 . 4]"
135 . 1 78 SER C 1 79 THR N 1 79 THR CA 1 79 THR C -84.50 -53.90 -67.48 -70.73 -63.65 . . 0 "[ . 1 . 2 . 3 . 4]"
136 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 MET N -59.30 -29.30 -42.23 -47.08 -39.44 . . 0 "[ . 1 . 2 . 3 . 4]"
137 . 1 79 THR C 1 80 MET N 1 80 MET CA 1 80 MET C -70.50 -50.50 -60.31 -59.11 -59.39 . . 0 "[ . 1 . 2 . 3 . 4]"
138 . 1 80 MET N 1 80 MET CA 1 80 MET C 1 81 LEU N -52.70 -31.90 -48.42 -44.37 -45.44 . . 0 "[ . 1 . 2 . 3 . 4]"
139 . 1 80 MET C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -74.50 -54.50 -64.87 -67.90 -61.84 . . 0 "[ . 1 . 2 . 3 . 4]"
140 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 TYR N -55.60 -31.40 -40.99 -40.97 -41.34 . . 0 "[ . 1 . 2 . 3 . 4]"
141 . 1 81 LEU C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -77.70 -41.90 -59.38 -63.07 -56.09 . . 0 "[ . 1 . 2 . 3 . 4]"
142 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 ASN N -62.30 -26.30 -42.85 -42.43 -42.61 . . 0 "[ . 1 . 2 . 3 . 4]"
143 . 1 82 TYR C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -72.50 -52.50 -68.98 -68.21 -68.39 0.03 36 0 "[ . 1 . 2 . 3 . 4]"
144 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 LYS N -52.50 -21.70 -36.85 -42.36 -29.60 . . 0 "[ . 1 . 2 . 3 . 4]"
145 . 1 83 ASN C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -73.60 -53.20 -57.86 -56.52 -56.67 . . 0 "[ . 1 . 2 . 3 . 4]"
146 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 PHE N -55.40 -31.80 -47.67 -54.91 -41.85 . . 0 "[ . 1 . 2 . 3 . 4]"
147 . 1 84 LYS C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -78.40 -53.60 -70.12 -71.92 -72.42 . . 0 "[ . 1 . 2 . 3 . 4]"
148 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 LYS N -51.40 -26.80 -40.68 -38.49 -39.28 0.06 25 0 "[ . 1 . 2 . 3 . 4]"
149 . 1 85 PHE C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -76.00 -42.80 -56.19 -63.48 -52.85 . . 0 "[ . 1 . 2 . 3 . 4]"
150 . 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 ASN N -60.50 -31.90 -45.90 -48.02 -48.39 . . 0 "[ . 1 . 2 . 3 . 4]"
151 . 1 86 LYS C 1 87 ASN N 1 87 ASN CA 1 87 ASN C -76.60 -56.60 -59.89 -64.55 -54.57 2.03 6 0 "[ . 1 . 2 . 3 . 4]"
152 . 1 87 ASN N 1 87 ASN CA 1 87 ASN C 1 88 MET N -52.20 -17.80 -31.57 -46.61 -20.47 . . 0 "[ . 1 . 2 . 3 . 4]"
153 . 1 87 ASN C 1 88 MET N 1 88 MET CA 1 88 MET C -79.50 -48.10 -64.10 -73.49 -53.76 . . 0 "[ . 1 . 2 . 3 . 4]"
154 . 1 88 MET N 1 88 MET CA 1 88 MET C 1 89 PHE N -65.70 -23.30 -32.11 -30.81 -32.43 . . 0 "[ . 1 . 2 . 3 . 4]"
155 . 1 88 MET C 1 89 PHE N 1 89 PHE CA 1 89 PHE C -83.40 -54.80 -84.96 -88.07 -88.15 4.95 32 0 "[ . 1 . 2 . 3 . 4]"
156 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 LEU N -71.70 11.30 -37.15 -48.16 -27.12 . . 0 "[ . 1 . 2 . 3 . 4]"
157 . 1 89 PHE C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -85.10 -49.70 -79.36 -81.66 -82.44 0.14 20 0 "[ . 1 . 2 . 3 . 4]"
158 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 VAL N -68.60 -3.40 -35.49 -49.43 -20.63 . . 0 "[ . 1 . 2 . 3 . 4]"
159 . 1 117 PHE C 1 118 ASP N 1 118 ASP CA 1 118 ASP C -167.50 -34.90 -104.91 -159.09 -67.12 . . 0 "[ . 1 . 2 . 3 . 4]"
160 . 1 118 ASP N 1 118 ASP CA 1 118 ASP C 1 119 ALA N 80.80 -169.00 144.35 175.83 171.27 3.56 19 0 "[ . 1 . 2 . 3 . 4]"
161 . 1 128 GLY C 1 129 THR N 1 129 THR CA 1 129 THR C -74.10 -46.90 -62.37 -56.51 -57.99 . . 0 "[ . 1 . 2 . 3 . 4]"
162 . 1 129 THR N 1 129 THR CA 1 129 THR C 1 130 ASN N -57.20 -25.60 -32.96 -46.74 -25.59 0.01 5 0 "[ . 1 . 2 . 3 . 4]"
163 . 1 129 THR C 1 130 ASN N 1 130 ASN CA 1 130 ASN C -74.00 -53.80 -63.55 -59.65 -60.42 . . 0 "[ . 1 . 2 . 3 . 4]"
164 . 1 130 ASN N 1 130 ASN CA 1 130 ASN C 1 131 LEU N -50.80 -30.80 -36.04 -46.90 -27.33 3.47 33 0 "[ . 1 . 2 . 3 . 4]"
165 . 1 130 ASN C 1 131 LEU N 1 131 LEU CA 1 131 LEU C -104.50 -36.90 -64.86 -70.46 -60.20 . . 0 "[ . 1 . 2 . 3 . 4]"
166 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C 1 132 ARG N -58.10 -16.10 -41.31 -38.23 -39.62 . . 0 "[ . 1 . 2 . 3 . 4]"
167 . 1 131 LEU C 1 132 ARG N 1 132 ARG CA 1 132 ARG C -76.30 -50.90 -65.03 -73.42 -57.22 . . 0 "[ . 1 . 2 . 3 . 4]"
168 . 1 132 ARG N 1 132 ARG CA 1 132 ARG C 1 133 ARG N -48.80 -28.80 -34.32 -36.06 -36.85 0.04 30 0 "[ . 1 . 2 . 3 . 4]"
169 . 1 132 ARG C 1 133 ARG N 1 133 ARG CA 1 133 ARG C -71.80 -51.80 -66.27 -71.83 -59.21 0.03 15 0 "[ . 1 . 2 . 3 . 4]"
170 . 1 133 ARG N 1 133 ARG CA 1 133 ARG C 1 134 PHE N -53.00 -33.00 -38.71 -45.26 -31.29 1.71 28 0 "[ . 1 . 2 . 3 . 4]"
171 . 1 133 ARG C 1 134 PHE N 1 134 PHE CA 1 134 PHE C -76.10 -51.70 -61.97 -58.44 -58.66 . . 0 "[ . 1 . 2 . 3 . 4]"
172 . 1 134 PHE N 1 134 PHE CA 1 134 PHE C 1 135 ARG N -55.10 -33.50 -42.23 -51.56 -30.11 3.39 34 0 "[ . 1 . 2 . 3 . 4]"
173 . 1 134 PHE C 1 135 ARG N 1 135 ARG CA 1 135 ARG C -73.20 -53.20 -64.54 -61.30 -61.69 4.71 29 0 "[ . 1 . 2 . 3 . 4]"
174 . 1 135 ARG N 1 135 ARG CA 1 135 ARG C 1 136 ALA N -55.40 -19.80 -27.82 -31.32 -31.95 4.91 28 0 "[ . 1 . 2 . 3 . 4]"
175 . 1 135 ARG C 1 136 ALA N 1 136 ALA CA 1 136 ALA C -73.90 -52.30 -66.56 -77.00 -58.05 3.10 3 0 "[ . 1 . 2 . 3 . 4]"
176 . 1 136 ALA N 1 136 ALA CA 1 136 ALA C 1 137 VAL N -58.10 -19.70 -44.42 -45.61 -45.91 . . 0 "[ . 1 . 2 . 3 . 4]"
177 . 1 136 ALA C 1 137 VAL N 1 137 VAL CA 1 137 VAL C -74.00 -54.00 -72.06 -75.23 -76.82 5.01 11 1 "[ . 1+ . 2 . 3 . 4]"
178 . 1 137 VAL N 1 137 VAL CA 1 137 VAL C 1 138 PHE N -59.20 -16.60 -32.66 -44.86 -15.68 0.92 40 0 "[ . 1 . 2 . 3 . 4]"
179 . 1 137 VAL C 1 138 PHE N 1 138 PHE CA 1 138 PHE C -117.30 -70.10 -94.16 -114.47 -74.76 . . 0 "[ . 1 . 2 . 3 . 4]"
180 . 1 138 PHE N 1 138 PHE CA 1 138 PHE C 1 139 GLY N -22.90 23.70 2.47 -17.39 -22.83 4.18 4 0 "[ . 1 . 2 . 3 . 4]"
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