NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
513791 |
2l8k   |
16977 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l8k
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 200
_TA_constraint_stats_list.Viol_count 852
_TA_constraint_stats_list.Viol_total 4919.62
_TA_constraint_stats_list.Viol_max 2.21
_TA_constraint_stats_list.Viol_rms 0.19
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 0.29
_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 8 ALA C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -134.40 -37.60 -102.76 -62.97 -73.45 0.13 5 0 "[ . 1 . 2]"
2 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 THR N 110.60 175.20 147.53 128.92 175.26 0.06 11 0 "[ . 1 . 2]"
3 . 1 9 LEU C 1 10 THR N 1 10 THR CA 1 10 THR C -122.10 -57.50 -84.84 -81.87 -87.40 . . 0 "[ . 1 . 2]"
4 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 ASP N 150.30 -179.10 176.79 165.61 -178.90 0.20 6 0 "[ . 1 . 2]"
5 . 1 10 THR C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -68.80 -50.20 -58.14 -63.82 -52.04 . . 0 "[ . 1 . 2]"
6 . 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 ASP N -51.50 -24.90 -28.97 -36.81 -24.71 0.19 15 0 "[ . 1 . 2]"
7 . 1 11 ASP C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -80.30 -57.90 -59.47 -60.49 -61.73 0.19 19 0 "[ . 1 . 2]"
8 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 ASP N -45.50 -31.30 -38.02 -45.55 -45.58 0.08 1 0 "[ . 1 . 2]"
9 . 1 12 ASP C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -71.70 -57.50 -62.81 -67.24 -70.63 . . 0 "[ . 1 . 2]"
10 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 PHE N -52.10 -40.10 -50.14 -52.85 -40.09 0.75 15 0 "[ . 1 . 2]"
11 . 1 13 ASP C 1 14 PHE N 1 14 PHE CA 1 14 PHE C -72.80 -57.40 -67.42 -73.30 -58.70 0.50 15 0 "[ . 1 . 2]"
12 . 1 14 PHE N 1 14 PHE CA 1 14 PHE C 1 15 GLN N -47.20 -27.00 -27.25 -30.06 -26.39 0.61 1 0 "[ . 1 . 2]"
13 . 1 14 PHE C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -83.40 -55.40 -74.05 -81.28 -65.56 . . 0 "[ . 1 . 2]"
14 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 PHE N -55.80 -21.40 -33.51 -38.17 -28.66 . . 0 "[ . 1 . 2]"
15 . 1 15 GLN C 1 16 PHE N 1 16 PHE CA 1 16 PHE C -73.70 -53.30 -65.73 -64.98 -68.63 0.17 13 0 "[ . 1 . 2]"
16 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 LEU N -54.00 -36.80 -43.64 -36.80 -36.86 0.29 14 0 "[ . 1 . 2]"
17 . 1 16 PHE C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -75.40 -51.20 -63.74 -69.96 -57.85 . . 0 "[ . 1 . 2]"
18 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 SER N -50.20 -33.60 -36.85 -37.93 -39.66 0.12 2 0 "[ . 1 . 2]"
19 . 1 17 LEU C 1 18 SER N 1 18 SER CA 1 18 SER C -65.60 -54.80 -57.20 -64.38 -54.64 0.16 12 0 "[ . 1 . 2]"
20 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 ASP N -49.00 -30.20 -35.68 -45.36 -30.75 . . 0 "[ . 1 . 2]"
21 . 1 18 SER C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -77.00 -55.80 -77.27 -77.67 -75.46 0.67 4 0 "[ . 1 . 2]"
22 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 VAL N -57.70 -10.70 -36.36 -49.24 -14.37 . . 0 "[ . 1 . 2]"
23 . 1 19 ASP C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -87.20 -44.20 -64.29 -61.11 -61.16 . . 0 "[ . 1 . 2]"
24 . 1 20 VAL N 1 20 VAL CA 1 20 VAL C 1 21 LEU N -59.70 -20.90 -43.17 -48.73 -52.08 . . 0 "[ . 1 . 2]"
25 . 1 20 VAL C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -85.30 -57.30 -67.05 -85.46 -57.23 0.16 4 0 "[ . 1 . 2]"
26 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 ASP N -48.60 0.80 -22.70 -23.91 -25.00 . . 0 "[ . 1 . 2]"
27 . 1 21 LEU C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -113.10 -53.90 -77.00 -93.42 -60.55 . . 0 "[ . 1 . 2]"
28 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 CYS N -56.90 6.50 -27.47 -36.69 -18.90 . . 0 "[ . 1 . 2]"
29 . 1 24 ARG C 1 25 ALA N 1 25 ALA CA 1 25 ALA C 170.80 -116.40 -138.58 -116.37 -118.03 0.24 18 0 "[ . 1 . 2]"
30 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 VAL N 140.30 175.50 142.09 140.64 140.35 0.24 7 0 "[ . 1 . 2]"
31 . 1 25 ALA C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -147.40 -101.40 -125.58 -126.71 -129.29 . . 0 "[ . 1 . 2]"
32 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 ARG N 107.40 171.00 114.68 107.20 137.65 0.20 17 0 "[ . 1 . 2]"
33 . 1 26 VAL C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -161.10 -103.70 -146.18 -129.83 -135.47 0.08 17 0 "[ . 1 . 2]"
34 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 SER N 127.80 -175.80 171.93 134.01 -175.52 0.28 8 0 "[ . 1 . 2]"
35 . 1 27 ARG C 1 28 SER N 1 28 SER CA 1 28 SER C -159.10 -19.10 -102.15 -110.08 -110.53 . . 0 "[ . 1 . 2]"
36 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 ALA N 131.00 -177.00 142.08 145.18 144.05 0.09 12 0 "[ . 1 . 2]"
37 . 1 28 SER C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -86.70 -37.90 -61.97 -71.39 -52.49 . . 0 "[ . 1 . 2]"
38 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 MET N -59.30 7.30 -42.56 -52.83 -24.85 . . 0 "[ . 1 . 2]"
39 . 1 29 ALA C 1 30 MET N 1 30 MET CA 1 30 MET C -95.30 -51.70 -55.73 -62.07 -51.60 0.10 17 0 "[ . 1 . 2]"
40 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 ASN N -55.90 -5.30 -27.24 -25.46 -25.64 . . 0 "[ . 1 . 2]"
41 . 1 31 ASN C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -81.30 -40.70 -67.70 -76.94 -50.76 . . 0 "[ . 1 . 2]"
42 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 ARG N -51.40 -18.20 -20.13 -26.15 -34.63 0.44 17 0 "[ . 1 . 2]"
43 . 1 32 LEU C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -119.90 -59.70 -88.03 -112.66 -70.10 . . 0 "[ . 1 . 2]"
44 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 ALA N -27.60 12.40 2.61 -5.38 -10.82 0.25 20 0 "[ . 1 . 2]"
45 . 1 33 ARG C 1 34 ALA N 1 34 ALA CA 1 34 ALA C 169.90 -50.10 -160.86 -178.61 -118.56 . . 0 "[ . 1 . 2]"
46 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 ALA N 105.10 -176.90 139.94 132.55 127.70 . . 0 "[ . 1 . 2]"
47 . 1 34 ALA C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -162.00 -38.60 -79.52 -105.49 -63.46 . . 0 "[ . 1 . 2]"
48 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 LEU N 91.20 177.40 177.47 177.50 177.49 0.17 18 0 "[ . 1 . 2]"
49 . 1 35 ALA C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -124.40 -51.00 -89.90 -99.88 -75.35 . . 0 "[ . 1 . 2]"
50 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 THR N -65.90 6.70 -67.09 -68.11 -66.61 2.21 10 0 "[ . 1 . 2]"
51 . 1 38 SER C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -74.90 -52.50 -70.86 -75.10 -75.11 0.21 1 0 "[ . 1 . 2]"
52 . 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 GLN N -50.20 -34.60 -34.62 -34.43 -34.48 0.36 15 0 "[ . 1 . 2]"
53 . 1 39 PHE C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -75.90 -55.30 -63.40 -58.66 -59.46 0.05 7 0 "[ . 1 . 2]"
54 . 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 VAL N -58.70 -23.90 -55.51 -59.06 -40.18 0.36 19 0 "[ . 1 . 2]"
55 . 1 40 GLN C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -74.20 -56.00 -58.24 -71.75 -55.43 0.57 13 0 "[ . 1 . 2]"
56 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 ALA N -52.20 -31.40 -37.88 -35.78 -36.59 0.17 18 0 "[ . 1 . 2]"
57 . 1 41 VAL C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -65.10 -52.90 -64.22 -63.14 -65.04 0.30 12 0 "[ . 1 . 2]"
58 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 GLN N -56.60 -28.00 -38.10 -48.71 -28.01 . . 0 "[ . 1 . 2]"
59 . 1 42 ALA C 1 43 GLN N 1 43 GLN CA 1 43 GLN C -72.80 -57.20 -57.15 -57.27 -58.13 0.25 10 0 "[ . 1 . 2]"
60 . 1 43 GLN N 1 43 GLN CA 1 43 GLN C 1 44 TYR N -56.30 -26.30 -48.92 -56.42 -36.74 0.12 14 0 "[ . 1 . 2]"
61 . 1 43 GLN C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -75.60 -56.00 -65.57 -75.91 -57.39 0.31 8 0 "[ . 1 . 2]"
62 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 ARG N -54.90 -33.70 -37.06 -47.68 -33.57 0.13 16 0 "[ . 1 . 2]"
63 . 1 44 TYR C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -68.10 -50.70 -63.22 -63.10 -63.50 0.03 17 0 "[ . 1 . 2]"
64 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 ASN N -58.70 -26.90 -35.46 -35.46 -36.42 0.13 8 0 "[ . 1 . 2]"
65 . 1 45 ARG C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -78.00 -50.80 -69.76 -78.11 -57.59 0.11 13 0 "[ . 1 . 2]"
66 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 ILE N -58.00 -13.80 -32.16 -38.61 -25.76 . . 0 "[ . 1 . 2]"
67 . 1 46 ASN C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -88.40 -47.20 -58.24 -56.06 -56.73 . . 0 "[ . 1 . 2]"
68 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 LEU N -60.90 -21.70 -60.61 -61.58 -57.39 0.68 4 0 "[ . 1 . 2]"
69 . 1 47 ILE C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -68.40 -59.00 -65.34 -60.89 -62.65 0.43 4 0 "[ . 1 . 2]"
70 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 ASN N -49.80 -27.40 -43.23 -50.05 -35.81 0.25 15 0 "[ . 1 . 2]"
71 . 1 48 LEU C 1 49 ASN N 1 49 ASN CA 1 49 ASN C -80.70 -40.70 -57.35 -61.19 -52.45 . . 0 "[ . 1 . 2]"
72 . 1 49 ASN N 1 49 ASN CA 1 49 ASN C 1 50 ALA N -61.90 -29.90 -34.39 -32.49 -33.19 0.10 15 0 "[ . 1 . 2]"
73 . 1 49 ASN C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -75.00 -43.00 -69.12 -70.49 -71.12 0.61 3 0 "[ . 1 . 2]"
74 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 SER N -55.30 -28.50 -27.91 -28.31 -27.25 1.25 4 0 "[ . 1 . 2]"
75 . 1 50 ALA C 1 51 SER N 1 51 SER CA 1 51 SER C -74.90 -59.30 -68.89 -73.37 -65.82 . . 0 "[ . 1 . 2]"
76 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 LEU N -48.70 -33.90 -33.70 -33.24 -33.29 1.40 16 0 "[ . 1 . 2]"
77 . 1 51 SER C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -74.40 -50.80 -66.21 -76.24 -59.50 1.84 4 0 "[ . 1 . 2]"
78 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 GLN N -56.30 -23.90 -50.50 -56.45 -56.47 0.43 13 0 "[ . 1 . 2]"
79 . 1 52 LEU C 1 53 GLN N 1 53 GLN CA 1 53 GLN C -89.10 -44.90 -53.35 -79.23 -44.46 0.44 16 0 "[ . 1 . 2]"
80 . 1 53 GLN N 1 53 GLN CA 1 53 GLN C 1 54 VAL N -61.70 4.90 -33.61 -26.37 -33.56 0.99 6 0 "[ . 1 . 2]"
81 . 1 53 GLN C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -141.90 -49.50 -89.26 -124.21 -49.22 0.28 13 0 "[ . 1 . 2]"
82 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 ASP N -29.30 22.10 11.24 22.14 -19.36 0.42 14 0 "[ . 1 . 2]"
83 . 1 54 VAL C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -111.40 -37.40 -83.04 -105.84 -47.44 . . 0 "[ . 1 . 2]"
84 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 ARG N 86.70 171.10 157.44 107.34 171.20 0.10 13 0 "[ . 1 . 2]"
85 . 1 56 ARG C 1 57 ASP N 1 57 ASP CA 1 57 ASP C -136.30 -56.90 -87.46 -86.54 -90.16 0.11 12 0 "[ . 1 . 2]"
86 . 1 57 ASP N 1 57 ASP CA 1 57 ASP C 1 58 ALA N 72.30 169.10 98.47 99.08 98.42 . . 0 "[ . 1 . 2]"
87 . 1 57 ASP C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -66.80 -52.00 -65.05 -66.70 -66.76 0.12 13 0 "[ . 1 . 2]"
88 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 ALA N -48.60 -12.60 -36.95 -48.54 -26.04 . . 0 "[ . 1 . 2]"
89 . 1 58 ALA C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -73.00 -56.40 -63.16 -60.75 -63.21 0.09 18 0 "[ . 1 . 2]"
90 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 ARG N -50.40 -30.80 -44.69 -50.51 -36.09 0.11 10 0 "[ . 1 . 2]"
91 . 1 59 ALA C 1 60 ARG N 1 60 ARG CA 1 60 ARG C -75.80 -55.80 -69.33 -76.06 -60.31 0.26 16 0 "[ . 1 . 2]"
92 . 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 SER N -54.50 -32.10 -38.01 -37.27 -38.31 0.15 6 0 "[ . 1 . 2]"
93 . 1 60 ARG C 1 61 SER N 1 61 SER CA 1 61 SER C -67.10 -51.50 -57.88 -62.42 -51.49 0.01 19 0 "[ . 1 . 2]"
94 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 ARG N -58.00 -33.40 -46.15 -57.36 -33.24 0.16 9 0 "[ . 1 . 2]"
95 . 1 61 SER C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -74.20 -51.00 -54.99 -55.54 -56.70 0.08 19 0 "[ . 1 . 2]"
96 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 ARG N -50.50 -33.90 -36.96 -39.57 -43.18 0.19 12 0 "[ . 1 . 2]"
97 . 1 62 ARG C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -73.20 -56.00 -63.71 -73.25 -57.38 0.05 18 0 "[ . 1 . 2]"
98 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 LEU N -54.40 -32.40 -45.26 -48.90 -52.22 0.33 1 0 "[ . 1 . 2]"
99 . 1 63 ARG C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -70.00 -54.80 -70.16 -70.22 -70.28 0.30 13 0 "[ . 1 . 2]"
100 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 MET N -48.70 -34.30 -38.85 -45.51 -33.74 0.56 1 0 "[ . 1 . 2]"
101 . 1 64 LEU C 1 65 MET N 1 65 MET CA 1 65 MET C -73.50 -54.30 -57.48 -65.44 -53.79 0.51 17 0 "[ . 1 . 2]"
102 . 1 65 MET N 1 65 MET CA 1 65 MET C 1 66 ALA N -55.80 -30.20 -34.10 -38.80 -30.05 0.15 6 0 "[ . 1 . 2]"
103 . 1 65 MET C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -80.40 -48.40 -79.55 -79.50 -80.37 0.31 4 0 "[ . 1 . 2]"
104 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 LYS N -54.20 -31.00 -34.79 -31.58 -32.65 0.36 17 0 "[ . 1 . 2]"
105 . 1 66 ALA C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -78.50 -50.90 -69.98 -75.82 -63.31 . . 0 "[ . 1 . 2]"
106 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 LEU N -55.00 -27.40 -32.24 -37.99 -27.32 0.08 19 0 "[ . 1 . 2]"
107 . 1 67 LYS C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -76.80 -52.00 -76.16 -76.65 -76.69 0.12 12 0 "[ . 1 . 2]"
108 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ALA N -57.90 -13.70 -24.80 -25.69 -27.08 . . 0 "[ . 1 . 2]"
109 . 1 68 LEU C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -79.20 -55.40 -55.83 -59.62 -55.14 0.26 10 0 "[ . 1 . 2]"
110 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ASP N -39.30 -19.30 -26.03 -20.74 -22.88 . . 0 "[ . 1 . 2]"
111 . 1 69 ALA C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -122.10 -82.10 -105.54 -115.03 -89.49 . . 0 "[ . 1 . 2]"
112 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 PHE N -34.30 16.70 7.34 -34.74 17.36 0.66 14 0 "[ . 1 . 2]"
113 . 1 72 ALA C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -107.10 -42.70 -94.97 -76.85 -92.42 0.19 7 0 "[ . 1 . 2]"
114 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 GLU N 110.90 155.70 151.85 139.73 155.98 0.28 8 0 "[ . 1 . 2]"
115 . 1 73 VAL C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -104.20 -69.40 -72.82 -69.46 -70.27 0.24 6 0 "[ . 1 . 2]"
116 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 GLN N 89.90 152.10 97.38 89.81 122.65 0.09 14 0 "[ . 1 . 2]"
117 . 1 74 GLU C 1 75 GLN N 1 75 GLN CA 1 75 GLN C -173.60 -83.00 -139.30 -143.79 -150.58 . . 0 "[ . 1 . 2]"
118 . 1 75 GLN N 1 75 GLN CA 1 75 GLN C 1 76 GLU N 139.60 160.00 148.14 158.45 156.47 0.11 14 0 "[ . 1 . 2]"
119 . 1 75 GLN C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -117.90 -60.30 -78.22 -97.88 -61.32 . . 0 "[ . 1 . 2]"
120 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 VAL N 109.80 155.80 126.94 126.24 124.81 . . 0 "[ . 1 . 2]"
121 . 1 76 GLU C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -146.40 -81.60 -87.50 -81.53 -81.54 0.17 16 0 "[ . 1 . 2]"
122 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 THR N 101.70 166.70 150.75 160.06 159.27 . . 0 "[ . 1 . 2]"
123 . 1 77 VAL C 1 78 THR N 1 78 THR CA 1 78 THR C -161.30 -105.70 -142.40 -151.51 -153.34 . . 0 "[ . 1 . 2]"
124 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 ALA N 128.90 -156.10 170.93 163.62 163.12 . . 0 "[ . 1 . 2]"
125 . 1 78 THR C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -82.70 -39.70 -66.74 -62.57 -62.88 0.35 10 0 "[ . 1 . 2]"
126 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 GLY N 121.80 149.80 147.76 143.99 149.86 0.06 6 0 "[ . 1 . 2]"
127 . 1 79 ALA C 1 80 GLY N 1 80 GLY CA 1 80 GLY C 84.20 104.20 94.58 92.21 97.37 . . 0 "[ . 1 . 2]"
128 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 ASP N -30.70 -2.30 -31.12 -31.50 -30.99 0.80 18 0 "[ . 1 . 2]"
129 . 1 80 GLY C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -144.40 -35.00 -80.26 -91.46 -70.44 . . 0 "[ . 1 . 2]"
130 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 ARG N 95.00 -158.20 -159.64 -158.13 -158.14 0.32 16 0 "[ . 1 . 2]"
131 . 1 81 ASP C 1 82 ARG N 1 82 ARG CA 1 82 ARG C 176.80 -101.00 -152.03 -151.99 -154.76 . . 0 "[ . 1 . 2]"
132 . 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 VAL N 129.20 -179.20 157.23 164.19 162.22 . . 0 "[ . 1 . 2]"
133 . 1 82 ARG C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -156.20 -105.60 -120.02 -136.06 -105.51 0.09 10 0 "[ . 1 . 2]"
134 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 VAL N 101.80 174.80 122.72 121.02 119.97 . . 0 "[ . 1 . 2]"
135 . 1 83 VAL C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -137.30 -92.90 -93.39 -96.02 -92.27 0.63 19 0 "[ . 1 . 2]"
136 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 VAL N 102.40 142.80 120.18 122.98 120.91 . . 0 "[ . 1 . 2]"
137 . 1 84 VAL C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -171.90 -80.70 -98.84 -116.14 -87.24 . . 0 "[ . 1 . 2]"
138 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 ILE N 99.20 -139.20 123.00 110.02 144.09 . . 0 "[ . 1 . 2]"
139 . 1 85 VAL C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -81.70 -41.50 -62.13 -60.00 -67.89 0.12 8 0 "[ . 1 . 2]"
140 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 ASP N -67.60 9.80 -17.71 -27.76 -5.93 . . 0 "[ . 1 . 2]"
141 . 1 86 ILE C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -114.80 -58.00 -102.41 -103.84 -104.61 . . 0 "[ . 1 . 2]"
142 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 GLY N -43.60 2.60 -44.16 -44.79 -42.76 1.19 14 0 "[ . 1 . 2]"
143 . 1 87 ASP C 1 88 GLY N 1 88 GLY CA 1 88 GLY C 137.30 -82.70 135.95 135.36 136.59 1.94 15 0 "[ . 1 . 2]"
144 . 1 88 GLY N 1 88 GLY CA 1 88 GLY C 1 89 LEU N 108.90 -127.10 -171.90 -170.36 -170.93 . . 0 "[ . 1 . 2]"
145 . 1 88 GLY C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -177.80 -75.40 -177.95 -178.22 -177.84 0.42 2 0 "[ . 1 . 2]"
146 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 ASP N 106.70 176.10 119.62 136.78 122.27 0.24 13 0 "[ . 1 . 2]"
147 . 1 90 ASP C 1 91 ARG N 1 91 ARG CA 1 91 ARG C 146.80 -73.20 -172.27 176.49 -104.73 . . 0 "[ . 1 . 2]"
148 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 MET N 137.80 -178.00 156.42 158.42 157.68 . . 0 "[ . 1 . 2]"
149 . 1 91 ARG C 1 92 MET N 1 92 MET CA 1 92 MET C -153.40 -39.60 -63.04 -63.77 -66.49 . . 0 "[ . 1 . 2]"
150 . 1 92 MET N 1 92 MET CA 1 92 MET C 1 93 ALA N 114.20 172.20 127.67 114.19 145.02 0.01 17 0 "[ . 1 . 2]"
151 . 1 92 MET C 1 93 ALA N 1 93 ALA CA 1 93 ALA C 166.10 -53.90 -138.88 -139.59 -145.57 . . 0 "[ . 1 . 2]"
152 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 HIS N 97.50 -166.30 130.00 122.60 150.43 . . 0 "[ . 1 . 2]"
153 . 1 93 ALA C 1 94 HIS N 1 94 HIS CA 1 94 HIS C -133.20 -20.00 -63.10 -62.72 -63.60 . . 0 "[ . 1 . 2]"
154 . 1 94 HIS N 1 94 HIS CA 1 94 HIS C 1 95 PHE N 104.50 152.30 148.63 138.10 152.73 0.43 1 0 "[ . 1 . 2]"
155 . 1 95 PHE C 1 96 LYS N 1 96 LYS CA 1 96 LYS C 179.80 -85.60 -177.16 179.22 179.01 1.03 12 0 "[ . 1 . 2]"
156 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 ASP N 120.50 -167.90 155.13 135.99 -167.61 0.29 18 0 "[ . 1 . 2]"
157 . 1 98 ASP C 1 99 LEU N 1 99 LEU CA 1 99 LEU C -173.70 -74.70 -89.69 -108.34 -74.51 0.19 19 0 "[ . 1 . 2]"
158 . 1 99 LEU N 1 99 LEU CA 1 99 LEU C 1 100 VAL N 119.90 -178.90 123.81 119.43 138.95 0.47 19 0 "[ . 1 . 2]"
159 . 1 99 LEU C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -172.30 -110.30 -111.51 -110.11 -110.17 0.43 9 0 "[ . 1 . 2]"
160 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 LEU N 137.90 -174.50 164.92 171.43 155.35 0.24 6 0 "[ . 1 . 2]"
161 . 1 100 VAL C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -169.80 -79.80 -114.06 -127.88 -93.93 . . 0 "[ . 1 . 2]"
162 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 VAL N 124.10 175.30 123.94 123.33 129.96 0.77 3 0 "[ . 1 . 2]"
163 . 1 101 LEU C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -173.60 -61.40 -108.00 -109.09 -109.54 . . 0 "[ . 1 . 2]"
164 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 PRO N 80.80 172.20 136.56 131.75 138.71 . . 0 "[ . 1 . 2]"
165 . 1 102 VAL C 1 103 PRO N 1 103 PRO CA 1 103 PRO C -77.90 -48.30 -47.71 -47.90 -48.11 1.42 7 0 "[ . 1 . 2]"
166 . 1 103 PRO N 1 103 PRO CA 1 103 PRO C 1 104 LEU N 123.70 159.30 123.51 122.87 124.31 0.83 5 0 "[ . 1 . 2]"
167 . 1 103 PRO C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -123.80 -62.80 -120.44 -124.30 -113.73 0.50 5 0 "[ . 1 . 2]"
168 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 THR N -51.30 -11.30 -49.36 -51.38 -51.61 0.71 15 0 "[ . 1 . 2]"
169 . 1 104 LEU C 1 105 THR N 1 105 THR CA 1 105 THR C -178.90 -103.50 -155.00 -163.60 -146.37 . . 0 "[ . 1 . 2]"
170 . 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 THR N 123.80 150.60 128.61 123.44 150.85 0.36 8 0 "[ . 1 . 2]"
171 . 1 105 THR C 1 106 THR N 1 106 THR CA 1 106 THR C -155.90 -77.90 -121.39 -147.81 -114.74 . . 0 "[ . 1 . 2]"
172 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 LYS N 103.00 154.20 115.52 104.54 122.70 . . 0 "[ . 1 . 2]"
173 . 1 106 THR C 1 107 LYS N 1 107 LYS CA 1 107 LYS C 178.70 -88.70 -137.02 -134.81 -135.89 . . 0 "[ . 1 . 2]"
174 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 VAL N 117.50 179.10 135.68 144.17 138.83 . . 0 "[ . 1 . 2]"
175 . 1 107 LYS C 1 108 VAL N 1 108 VAL CA 1 108 VAL C -125.40 -63.60 -96.93 -111.90 -77.57 . . 0 "[ . 1 . 2]"
176 . 1 108 VAL N 1 108 VAL CA 1 108 VAL C 1 109 VAL N 105.80 146.60 131.05 123.43 120.16 . . 0 "[ . 1 . 2]"
177 . 1 108 VAL C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -142.50 -110.10 -131.69 -142.64 -115.57 0.14 6 0 "[ . 1 . 2]"
178 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 GLY N 114.70 135.50 121.18 114.69 132.95 0.01 18 0 "[ . 1 . 2]"
179 . 1 111 GLY C 1 112 SER N 1 112 SER CA 1 112 SER C -163.80 -63.60 -144.73 -163.84 -116.23 0.04 17 0 "[ . 1 . 2]"
180 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 ARG N 118.70 158.70 131.31 118.70 156.76 0.00 9 0 "[ . 1 . 2]"
181 . 1 112 SER C 1 113 ARG N 1 113 ARG CA 1 113 ARG C -156.50 -37.10 -70.76 -61.38 -64.92 . . 0 "[ . 1 . 2]"
182 . 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 CYS N 98.20 163.40 138.46 141.01 140.17 . . 0 "[ . 1 . 2]"
183 . 1 113 ARG C 1 114 CYS N 1 114 CYS CA 1 114 CYS C -140.40 -74.20 -133.38 -140.77 -104.73 0.37 15 0 "[ . 1 . 2]"
184 . 1 114 CYS N 1 114 CYS CA 1 114 CYS C 1 115 THR N 84.40 146.60 99.07 101.43 98.74 . . 0 "[ . 1 . 2]"
185 . 1 114 CYS C 1 115 THR N 1 115 THR CA 1 115 THR C -139.00 -97.00 -103.94 -115.01 -96.57 0.43 15 0 "[ . 1 . 2]"
186 . 1 115 THR N 1 115 THR CA 1 115 THR C 1 116 ILE N 113.40 153.00 143.67 140.74 152.64 . . 0 "[ . 1 . 2]"
187 . 1 115 THR C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -130.30 -92.50 -121.51 -129.84 -116.46 . . 0 "[ . 1 . 2]"
188 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 CYS N 111.60 141.60 139.02 141.68 140.21 0.91 13 0 "[ . 1 . 2]"
189 . 1 116 ILE C 1 117 CYS N 1 117 CYS CA 1 117 CYS C -167.40 -85.20 -131.98 -135.66 -128.33 . . 0 "[ . 1 . 2]"
190 . 1 117 CYS N 1 117 CYS CA 1 117 CYS C 1 118 ASP N 114.10 -171.10 138.80 133.67 142.22 . . 0 "[ . 1 . 2]"
191 . 1 117 CYS C 1 118 ASP N 1 118 ASP CA 1 118 ASP C -159.50 -47.10 -71.88 -72.45 -73.46 . . 0 "[ . 1 . 2]"
192 . 1 118 ASP N 1 118 ASP CA 1 118 ASP C 1 119 VAL N 110.70 159.70 139.87 139.03 138.51 . . 0 "[ . 1 . 2]"
193 . 1 118 ASP C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -134.20 -61.40 -89.13 -97.10 -81.43 . . 0 "[ . 1 . 2]"
194 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 VAL N 103.20 144.80 109.79 110.70 104.30 0.37 19 0 "[ . 1 . 2]"
195 . 1 119 VAL C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -152.30 -82.50 -129.62 -139.16 -120.02 . . 0 "[ . 1 . 2]"
196 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 LYS N 106.90 163.50 144.54 145.35 144.17 . . 0 "[ . 1 . 2]"
197 . 1 120 VAL C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -125.10 -74.70 -74.75 -74.44 -74.48 0.44 19 0 "[ . 1 . 2]"
198 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 GLU N 97.20 154.40 138.23 134.07 130.67 . . 0 "[ . 1 . 2]"
199 . 1 121 LYS C 1 122 GLU N 1 122 GLU CA 1 122 GLU C -144.00 -46.80 -79.30 -66.55 -67.39 . . 0 "[ . 1 . 2]"
200 . 1 122 GLU N 1 122 GLU CA 1 122 GLU C 1 123 GLU N 94.10 157.10 123.49 116.57 106.84 0.06 10 0 "[ . 1 . 2]"
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