Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517408 | 2lez RC | 17734 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lez
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 223
_TA_constraint_stats_list.Viol_count 477
_TA_constraint_stats_list.Viol_total 18032.61
_TA_constraint_stats_list.Viol_max 9.84
_TA_constraint_stats_list.Viol_rms 0.79
_TA_constraint_stats_list.Viol_average_all_restraints 0.20
_TA_constraint_stats_list.Viol_average_violations_only 1.89
_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 1 GLY C 1 2 ALA N 1 2 ALA CA 1 2 ALA C -141.00 -21.00 -84.38 -124.75 -65.38 . . 0 "[ . 1 . 2]"
2 . 1 2 ALA N 1 2 ALA CA 1 2 ALA C 1 3 GLY N 71.00 -169.00 114.91 93.02 82.84 0.95 4 0 "[ . 1 . 2]"
3 . 1 2 ALA C 1 3 GLY N 1 3 GLY CA 1 3 GLY C -133.50 -18.50 -91.86 -101.10 -120.21 0.16 5 0 "[ . 1 . 2]"
4 . 1 3 GLY N 1 3 GLY CA 1 3 GLY C 1 4 THR N -85.00 35.00 6.74 -43.06 38.53 3.53 17 0 "[ . 1 . 2]"
5 . 1 3 GLY C 1 4 THR N 1 4 THR CA 1 4 THR C -100.00 -60.00 -77.49 -88.91 -98.27 3.09 1 0 "[ . 1 . 2]"
6 . 1 4 THR C 1 5 SER N 1 5 SER CA 1 5 SER C -100.50 -83.50 -83.48 -99.19 -79.67 3.83 1 0 "[ . 1 . 2]"
7 . 1 5 SER C 1 6 ALA N 1 6 ALA CA 1 6 ALA C -87.50 -42.50 -66.87 -87.56 -58.47 0.06 14 0 "[ . 1 . 2]"
8 . 1 6 ALA N 1 6 ALA CA 1 6 ALA C 1 7 ALA N -66.00 -24.00 -27.76 -27.80 -34.04 4.22 2 0 "[ . 1 . 2]"
9 . 1 6 ALA C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -79.00 -39.00 -59.69 -55.53 -59.22 . . 0 "[ . 1 . 2]"
10 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 MET N -58.00 -22.00 -37.52 -50.19 -28.45 . . 0 "[ . 1 . 2]"
11 . 1 7 ALA C 1 8 MET N 1 8 MET CA 1 8 MET C -96.00 -46.00 -68.38 -66.40 -69.20 . . 0 "[ . 1 . 2]"
12 . 1 8 MET N 1 8 MET CA 1 8 MET C 1 9 ARG N -56.50 -20.50 -35.89 -32.59 -34.67 . . 0 "[ . 1 . 2]"
13 . 1 8 MET C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -87.00 -37.00 -71.37 -84.40 -61.96 . . 0 "[ . 1 . 2]"
14 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 GLN N -65.00 -15.00 -39.04 -55.22 -21.02 . . 0 "[ . 1 . 2]"
15 . 1 9 ARG C 1 10 GLN N 1 10 GLN CA 1 10 GLN C -105.00 -55.00 -66.91 -64.89 -68.39 . . 0 "[ . 1 . 2]"
16 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 ALA N -55.50 -16.50 -16.41 -26.10 -9.34 7.16 1 1 "[+ . 1 . 2]"
17 . 1 10 GLN C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -74.00 -34.00 -58.75 -71.12 -44.55 . . 0 "[ . 1 . 2]"
18 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 THR N -67.00 -21.00 -26.27 -52.39 -19.54 1.46 6 0 "[ . 1 . 2]"
19 . 1 11 ALA C 1 12 THR N 1 12 THR CA 1 12 THR C -94.00 -54.00 -74.23 -87.57 -62.92 . . 0 "[ . 1 . 2]"
20 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 SER N 116.50 171.50 144.60 128.59 161.34 . . 0 "[ . 1 . 2]"
21 . 1 12 THR C 1 13 SER N 1 13 SER CA 1 13 SER C -144.00 -24.00 -84.04 -109.29 -71.38 . . 0 "[ . 1 . 2]"
22 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 PRO N 94.00 -176.00 141.84 141.93 141.44 . . 0 "[ . 1 . 2]"
23 . 1 14 PRO C 1 15 LYS N 1 15 LYS CA 1 15 LYS C -82.50 -47.50 -73.93 -73.52 -80.33 0.76 12 0 "[ . 1 . 2]"
24 . 1 15 LYS N 1 15 LYS CA 1 15 LYS C 1 16 THR N -60.50 -15.50 -52.47 -60.54 -45.36 0.04 15 0 "[ . 1 . 2]"
25 . 1 15 LYS C 1 16 THR N 1 16 THR CA 1 16 THR C -90.50 -45.50 -63.93 -76.97 -49.16 . . 0 "[ . 1 . 2]"
26 . 1 16 THR N 1 16 THR CA 1 16 THR C 1 17 ILE N -56.50 -21.50 -34.20 -31.33 -37.69 . . 0 "[ . 1 . 2]"
27 . 1 16 THR C 1 17 ILE N 1 17 ILE CA 1 17 ILE C -84.00 -54.00 -62.74 -64.34 -64.98 . . 0 "[ . 1 . 2]"
28 . 1 17 ILE N 1 17 ILE CA 1 17 ILE C 1 18 LEU N -57.50 -22.50 -48.56 -54.46 -44.48 . . 0 "[ . 1 . 2]"
29 . 1 17 ILE C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -79.00 -49.00 -56.56 -55.91 -56.40 . . 0 "[ . 1 . 2]"
30 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 GLU N -56.00 -26.00 -46.96 -58.27 -39.78 2.27 14 0 "[ . 1 . 2]"
31 . 1 18 LEU C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -77.00 -47.00 -56.80 -54.11 -55.58 . . 0 "[ . 1 . 2]"
32 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 TYR N -60.00 -30.00 -49.37 -57.07 -40.25 . . 0 "[ . 1 . 2]"
33 . 1 19 GLU C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -82.00 -52.00 -73.02 -81.25 -67.14 . . 0 "[ . 1 . 2]"
34 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 ILE N -59.50 -24.50 -27.23 -24.89 -26.71 1.86 5 0 "[ . 1 . 2]"
35 . 1 20 TYR C 1 21 ILE N 1 21 ILE CA 1 21 ILE C -94.50 -39.50 -61.87 -66.84 -57.45 . . 0 "[ . 1 . 2]"
36 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 ILE N -65.00 -15.00 -51.22 -59.59 -42.86 . . 0 "[ . 1 . 2]"
37 . 1 21 ILE C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -81.50 -46.50 -60.96 -69.12 -53.65 . . 0 "[ . 1 . 2]"
38 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 ASN N -60.00 -20.00 -45.90 -43.69 -44.78 . . 0 "[ . 1 . 2]"
39 . 1 22 ILE C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -81.00 -51.00 -58.67 -61.13 -61.91 . . 0 "[ . 1 . 2]"
40 . 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 PHE N -55.00 -25.00 -37.19 -53.48 -24.46 0.54 13 0 "[ . 1 . 2]"
41 . 1 23 ASN C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -82.50 -47.50 -66.21 -71.99 -54.06 . . 0 "[ . 1 . 2]"
42 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 PHE N -68.00 -28.00 -49.44 -53.43 -56.63 . . 0 "[ . 1 . 2]"
43 . 1 24 PHE C 1 25 PHE N 1 25 PHE CA 1 25 PHE C -99.50 -44.50 -74.11 -81.06 -65.40 . . 0 "[ . 1 . 2]"
44 . 1 25 PHE N 1 25 PHE CA 1 25 PHE C 1 26 THR N -50.50 4.50 -21.51 -39.72 -0.78 . . 0 "[ . 1 . 2]"
45 . 1 25 PHE C 1 26 THR N 1 26 THR CA 1 26 THR C -134.50 -59.50 -99.70 -118.39 -87.94 . . 0 "[ . 1 . 2]"
46 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 CYS N -83.00 37.00 -48.90 -43.25 -57.17 . . 0 "[ . 1 . 2]"
47 . 1 26 THR C 1 27 CYS N 1 27 CYS CA 1 27 CYS C -153.00 -33.00 -140.41 -150.33 -151.11 2.41 6 0 "[ . 1 . 2]"
48 . 1 27 CYS N 1 27 CYS CA 1 27 CYS C 1 28 GLY N 106.50 -168.50 166.31 153.36 128.44 4.34 1 0 "[ . 1 . 2]"
49 . 1 28 GLY C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 52.00 132.00 90.23 61.36 125.81 . . 0 "[ . 1 . 2]"
50 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 ILE N -40.50 44.50 4.50 -42.54 45.47 2.04 15 0 "[ . 1 . 2]"
51 . 1 29 GLY C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -87.00 -57.00 -81.20 -82.95 -85.28 2.56 20 0 "[ . 1 . 2]"
52 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 ARG N 52.00 162.00 114.34 50.27 152.17 1.73 20 0 "[ . 1 . 2]"
53 . 1 30 ILE C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -139.00 -19.00 -102.10 -95.80 -112.56 2.71 19 0 "[ . 1 . 2]"
54 . 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 ARG N -83.00 37.00 12.91 -33.87 39.70 2.70 17 0 "[ . 1 . 2]"
55 . 1 31 ARG C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -113.00 -33.00 -81.77 -87.98 -105.48 1.78 5 0 "[ . 1 . 2]"
56 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 ARG N -81.50 23.50 -68.22 -83.57 -34.48 2.07 2 0 "[ . 1 . 2]"
57 . 1 32 ARG C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -123.50 -38.50 -118.98 -125.37 -128.10 6.51 14 1 "[ . 1 +. 2]"
58 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 ASN N -53.00 17.00 -11.75 -50.33 17.32 0.32 11 0 "[ . 1 . 2]"
59 . 1 33 ARG C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -133.00 -43.00 -79.44 -126.08 -55.22 . . 0 "[ . 1 . 2]"
60 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 GLU N -60.00 20.00 -18.57 13.58 -0.15 2.26 12 0 "[ . 1 . 2]"
61 . 1 34 ASN C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -92.50 -37.50 -62.03 -96.88 -40.33 4.38 16 0 "[ . 1 . 2]"
62 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 THR N -61.00 -21.00 -50.62 -64.07 -25.01 3.07 18 0 "[ . 1 . 2]"
63 . 1 35 GLU C 1 36 THR N 1 36 THR CA 1 36 THR C -77.00 -47.00 -74.27 -65.10 -67.67 5.14 6 1 "[ .+ 1 . 2]"
64 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 GLN N -65.50 -10.50 -50.05 -50.38 -50.58 . . 0 "[ . 1 . 2]"
65 . 1 36 THR C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -85.00 -55.00 -59.49 -59.27 -60.00 0.46 18 0 "[ . 1 . 2]"
66 . 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 TYR N -43.50 -8.50 -40.16 -35.86 -38.35 2.98 7 0 "[ . 1 . 2]"
67 . 1 37 GLN C 1 38 TYR N 1 38 TYR CA 1 38 TYR C -137.00 -27.00 -76.74 -90.90 -64.33 . . 0 "[ . 1 . 2]"
68 . 1 38 TYR N 1 38 TYR CA 1 38 TYR C 1 39 GLN N -78.00 42.00 -36.98 -46.30 -29.28 . . 0 "[ . 1 . 2]"
69 . 1 38 TYR C 1 39 GLN N 1 39 GLN CA 1 39 GLN C -79.00 -39.00 -57.52 -57.19 -58.82 . . 0 "[ . 1 . 2]"
70 . 1 39 GLN N 1 39 GLN CA 1 39 GLN C 1 40 GLU N -65.50 -20.50 -36.13 -45.43 -25.87 . . 0 "[ . 1 . 2]"
71 . 1 39 GLN C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -82.00 -52.00 -57.14 -59.05 -59.94 1.08 6 0 "[ . 1 . 2]"
72 . 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 LEU N -50.00 -20.00 -45.42 -50.85 -32.50 0.85 3 0 "[ . 1 . 2]"
73 . 1 40 GLU C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -79.00 -49.00 -62.48 -61.41 -62.88 . . 0 "[ . 1 . 2]"
74 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ILE N -61.00 -31.00 -46.63 -44.64 -46.23 . . 0 "[ . 1 . 2]"
75 . 1 41 LEU C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -75.00 -45.00 -57.45 -64.32 -53.03 . . 0 "[ . 1 . 2]"
76 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 GLU N -62.50 -27.50 -51.12 -52.73 -53.87 . . 0 "[ . 1 . 2]"
77 . 1 42 ILE C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -74.00 -44.00 -71.45 -74.96 -65.80 0.96 19 0 "[ . 1 . 2]"
78 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 THR N -58.00 -28.00 -41.75 -40.20 -42.34 . . 0 "[ . 1 . 2]"
79 . 1 43 GLU C 1 44 THR N 1 44 THR CA 1 44 THR C -82.00 -52.00 -65.46 -71.61 -59.50 . . 0 "[ . 1 . 2]"
80 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 MET N -53.00 -23.00 -42.55 -43.53 -46.90 1.66 4 0 "[ . 1 . 2]"
81 . 1 44 THR C 1 45 MET N 1 45 MET CA 1 45 MET C -78.00 -48.00 -63.04 -66.39 -66.73 . . 0 "[ . 1 . 2]"
82 . 1 45 MET N 1 45 MET CA 1 45 MET C 1 46 ALA N -61.50 -26.50 -54.47 -47.50 -50.11 2.72 10 0 "[ . 1 . 2]"
83 . 1 45 MET C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -75.00 -45.00 -52.47 -58.68 -46.97 . . 0 "[ . 1 . 2]"
84 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 GLU N -60.00 -30.00 -40.69 -36.34 -37.95 . . 0 "[ . 1 . 2]"
85 . 1 46 ALA C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -78.00 -48.00 -67.32 -67.93 -69.51 . . 0 "[ . 1 . 2]"
86 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 THR N -65.50 -10.50 -55.09 -62.60 -42.79 . . 0 "[ . 1 . 2]"
87 . 1 47 GLU C 1 48 THR N 1 48 THR CA 1 48 THR C -89.50 -44.50 -64.51 -63.24 -64.93 . . 0 "[ . 1 . 2]"
88 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 LEU N -55.00 -25.00 -29.14 -27.38 -28.08 1.38 8 0 "[ . 1 . 2]"
89 . 1 48 THR C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -77.00 -47.00 -69.24 -73.83 -64.20 . . 0 "[ . 1 . 2]"
90 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 LYS N -62.50 -27.50 -59.28 -58.33 -59.24 0.46 17 0 "[ . 1 . 2]"
91 . 1 49 LEU C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -84.50 -39.50 -64.99 -69.55 -59.16 . . 0 "[ . 1 . 2]"
92 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 SER N -60.00 -20.00 -19.84 -22.70 -24.26 3.82 10 0 "[ . 1 . 2]"
93 . 1 50 LYS C 1 51 SER N 1 51 SER CA 1 51 SER C -94.50 -39.50 -66.99 -60.63 -63.77 . . 0 "[ . 1 . 2]"
94 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 THR N -58.00 -8.00 -34.88 -47.03 -22.43 . . 0 "[ . 1 . 2]"
95 . 1 51 SER C 1 52 THR N 1 52 THR CA 1 52 THR C -112.00 -62.00 -103.24 -111.86 -92.91 . . 0 "[ . 1 . 2]"
96 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 MET N -54.50 30.50 -11.54 -30.08 3.41 . . 0 "[ . 1 . 2]"
97 . 1 52 THR C 1 53 MET N 1 53 MET CA 1 53 MET C -148.00 -28.00 -87.99 -83.14 -86.45 . . 0 "[ . 1 . 2]"
98 . 1 53 MET N 1 53 MET CA 1 53 MET C 1 54 PRO N 63.00 -177.00 148.17 123.10 163.13 . . 0 "[ . 1 . 2]"
99 . 1 54 PRO C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -150.00 -90.00 -148.41 -154.35 -136.54 4.35 16 0 "[ . 1 . 2]"
100 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 ARG N -70.00 -10.00 -76.27 -79.84 -73.08 9.84 16 15 "[****** * 1***-.+ ***]"
101 . 1 56 ARG C 1 57 GLY N 1 57 GLY CA 1 57 GLY C 45.00 135.00 89.57 88.51 88.02 . . 0 "[ . 1 . 2]"
102 . 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1 58 ALA N -25.00 45.00 -24.78 -21.34 -23.88 2.43 10 0 "[ . 1 . 2]"
103 . 1 57 GLY C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -135.50 -40.50 -70.38 -78.54 -62.50 . . 0 "[ . 1 . 2]"
104 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 PRO N 69.00 179.00 160.84 136.69 171.29 . . 0 "[ . 1 . 2]"
105 . 1 59 PRO C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -139.50 -34.50 -68.31 -92.76 -48.24 . . 0 "[ . 1 . 2]"
106 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 PRO N 85.50 -169.50 152.57 156.27 154.13 . . 0 "[ . 1 . 2]"
107 . 1 61 PRO C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -127.50 -52.50 -82.38 -80.63 -81.29 . . 0 "[ . 1 . 2]"
108 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 ASN N -71.00 19.00 -19.51 -18.72 -28.61 . . 0 "[ . 1 . 2]"
109 . 1 62 GLU C 1 63 ASN N 1 63 ASN CA 1 63 ASN C -180.00 -100.00 -127.07 -138.06 -107.22 . . 0 "[ . 1 . 2]"
110 . 1 63 ASN N 1 63 ASN CA 1 63 ASN C 1 64 ILE N 121.50 176.50 119.45 117.36 125.83 4.14 11 0 "[ . 1 . 2]"
111 . 1 63 ASN C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -164.50 -89.50 -112.69 -101.38 -106.58 . . 0 "[ . 1 . 2]"
112 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 ILE N 107.00 147.00 110.07 111.85 109.65 2.62 20 0 "[ . 1 . 2]"
113 . 1 64 ILE C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -156.50 -81.50 -93.39 -105.18 -84.04 . . 0 "[ . 1 . 2]"
114 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 LEU N 90.00 170.00 118.16 102.65 128.69 . . 0 "[ . 1 . 2]"
115 . 1 65 ILE C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -135.00 -45.00 -124.08 -126.70 -131.96 1.08 17 0 "[ . 1 . 2]"
116 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 ASP N 70.00 -170.00 80.89 84.53 83.00 3.10 20 0 "[ . 1 . 2]"
117 . 1 66 LEU C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -121.50 -36.50 -72.92 -83.99 -58.55 . . 0 "[ . 1 . 2]"
118 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 ASP N -48.00 12.00 -19.62 -33.34 0.77 . . 0 "[ . 1 . 2]"
119 . 1 67 ASP C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -120.50 -65.50 -109.91 -124.42 -88.71 3.92 16 0 "[ . 1 . 2]"
120 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 MET N -25.50 29.50 15.61 -14.18 33.33 3.83 12 0 "[ . 1 . 2]"
121 . 1 68 ASP C 1 69 MET N 1 69 MET CA 1 69 MET C -151.50 -46.50 -78.70 -72.11 -73.61 . . 0 "[ . 1 . 2]"
122 . 1 69 MET N 1 69 MET CA 1 69 MET C 1 70 ASP N 72.00 -168.00 92.55 77.58 107.44 . . 0 "[ . 1 . 2]"
123 . 1 69 MET C 1 70 ASP N 1 70 ASP CA 1 70 ASP C 36.00 66.00 59.06 51.53 66.00 . . 0 "[ . 1 . 2]"
124 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 GLY N 28.00 58.00 38.02 42.81 40.75 4.84 7 0 "[ . 1 . 2]"
125 . 1 70 ASP C 1 71 GLY N 1 71 GLY CA 1 71 GLY C 42.50 107.50 76.00 73.43 71.25 . . 0 "[ . 1 . 2]"
126 . 1 71 GLY N 1 71 GLY CA 1 71 GLY C 1 72 CYS N -36.50 48.50 0.74 -13.30 18.03 . . 0 "[ . 1 . 2]"
127 . 1 71 GLY C 1 72 CYS N 1 72 CYS CA 1 72 CYS C -152.00 -82.00 -102.62 -107.45 -112.51 . . 0 "[ . 1 . 2]"
128 . 1 72 CYS N 1 72 CYS CA 1 72 CYS C 1 73 ARG N 100.50 -174.50 136.52 124.97 149.22 . . 0 "[ . 1 . 2]"
129 . 1 72 CYS C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -152.50 -57.50 -88.94 -99.01 -78.45 . . 0 "[ . 1 . 2]"
130 . 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 VAL N 83.50 158.50 103.22 91.51 130.05 . . 0 "[ . 1 . 2]"
131 . 1 73 ARG C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -144.00 -94.00 -107.65 -111.07 -115.36 1.08 20 0 "[ . 1 . 2]"
132 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 GLU N 111.00 151.00 135.59 136.38 134.04 0.15 20 0 "[ . 1 . 2]"
133 . 1 74 VAL C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -177.50 -92.50 -124.28 -146.47 -108.77 . . 0 "[ . 1 . 2]"
134 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 PHE N 109.50 -165.50 114.38 113.64 113.18 1.68 4 0 "[ . 1 . 2]"
135 . 1 75 GLU C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -152.50 -57.50 -86.31 -85.50 -86.65 . . 0 "[ . 1 . 2]"
136 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 ASN N 116.50 151.50 114.79 112.05 118.03 4.45 14 0 "[ . 1 . 2]"
137 . 1 76 PHE C 1 77 ASN N 1 77 ASN CA 1 77 ASN C -160.00 -80.00 -105.96 -98.59 -100.99 . . 0 "[ . 1 . 2]"
138 . 1 77 ASN N 1 77 ASN CA 1 77 ASN C 1 78 LEU N 96.00 166.00 108.42 94.79 131.46 1.21 8 0 "[ . 1 . 2]"
139 . 1 77 ASN C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -102.50 -57.50 -81.36 -84.95 -85.00 0.63 18 0 "[ . 1 . 2]"
140 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 PRO N 116.50 -178.50 140.81 137.72 135.14 . . 0 "[ . 1 . 2]"
141 . 1 79 PRO C 1 80 GLY N 1 80 GLY CA 1 80 GLY C -173.00 -73.00 -92.90 -156.15 -73.34 . . 0 "[ . 1 . 2]"
142 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 GLU N 86.00 -154.00 179.02 -172.76 179.02 . . 0 "[ . 1 . 2]"
143 . 1 80 GLY C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -116.00 -36.00 -63.94 -65.71 -65.82 . . 0 "[ . 1 . 2]"
144 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 ASN N -77.00 43.00 -25.48 -35.99 -8.33 . . 0 "[ . 1 . 2]"
145 . 1 81 GLU C 1 82 ASN N 1 82 ASN CA 1 82 ASN C -156.00 -36.00 -89.48 -82.12 -83.88 . . 0 "[ . 1 . 2]"
146 . 1 82 ASN N 1 82 ASN CA 1 82 ASN C 1 83 ASN N -49.50 25.50 -6.03 -40.61 14.23 . . 0 "[ . 1 . 2]"
147 . 1 82 ASN C 1 83 ASN N 1 83 ASN CA 1 83 ASN C 179.00 -61.00 -86.94 -129.86 -71.16 . . 0 "[ . 1 . 2]"
148 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 GLU N 56.00 176.00 118.10 94.05 159.56 . . 0 "[ . 1 . 2]"
149 . 1 83 ASN C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -95.00 -35.00 -80.44 -80.44 -83.30 1.73 10 0 "[ . 1 . 2]"
150 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 ALA N -72.50 2.50 -23.67 -19.82 -24.66 . . 0 "[ . 1 . 2]"
151 . 1 84 GLU C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -112.00 -62.00 -64.96 -65.48 -67.56 1.35 20 0 "[ . 1 . 2]"
152 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 GLY N -38.50 36.50 -40.25 -40.10 -40.27 4.64 13 0 "[ . 1 . 2]"
153 . 1 85 ALA C 1 86 GLY N 1 86 GLY CA 1 86 GLY C 53.00 113.00 59.51 60.88 60.34 0.84 13 0 "[ . 1 . 2]"
154 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 GLN N -17.00 53.00 44.16 52.14 47.11 2.65 10 0 "[ . 1 . 2]"
155 . 1 86 GLY C 1 87 GLN N 1 87 GLN CA 1 87 GLN C -144.00 -74.00 -133.05 -144.10 -127.53 0.10 3 0 "[ . 1 . 2]"
156 . 1 87 GLN N 1 87 GLN CA 1 87 GLN C 1 88 VAL N 98.00 -162.00 148.16 137.65 160.02 . . 0 "[ . 1 . 2]"
157 . 1 87 GLN C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -160.00 -40.00 -84.31 -94.62 -72.23 . . 0 "[ . 1 . 2]"
158 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 ILE N 93.00 173.00 128.10 132.26 129.65 . . 0 "[ . 1 . 2]"
159 . 1 88 VAL C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -153.50 -68.50 -98.89 -116.50 -86.44 . . 0 "[ . 1 . 2]"
160 . 1 89 ILE N 1 89 ILE CA 1 89 ILE C 1 90 VAL N 68.00 168.00 109.82 110.47 108.29 . . 0 "[ . 1 . 2]"
161 . 1 89 ILE C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -133.00 -93.00 -93.08 -91.75 -91.76 2.53 8 0 "[ . 1 . 2]"
162 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 ARG N 107.00 147.00 119.92 104.25 136.81 2.75 14 0 "[ . 1 . 2]"
163 . 1 90 VAL C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -162.00 -72.00 -114.22 -108.72 -113.07 . . 0 "[ . 1 . 2]"
164 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 VAL N 95.50 160.50 97.27 90.39 113.27 5.11 12 1 "[ . 1 + . 2]"
165 . 1 91 ARG C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -142.00 -102.00 -102.16 -100.07 -100.37 3.96 8 0 "[ . 1 . 2]"
166 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 SER N 105.50 160.50 113.05 98.16 145.90 7.34 11 2 "[ - . 1+ . 2]"
167 . 1 92 VAL C 1 93 SER N 1 93 SER CA 1 93 SER C -156.00 -96.00 -121.96 -124.40 -146.32 . . 0 "[ . 1 . 2]"
168 . 1 93 SER N 1 93 SER CA 1 93 SER C 1 94 LYS N 125.50 170.50 155.51 165.03 161.38 0.32 9 0 "[ . 1 . 2]"
169 . 1 93 SER C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -169.00 -49.00 -159.92 -168.14 -122.92 . . 0 "[ . 1 . 2]"
170 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 GLY N 76.50 -178.50 85.43 76.54 76.09 0.70 1 0 "[ . 1 . 2]"
171 . 1 94 LYS C 1 95 GLY N 1 95 GLY CA 1 95 GLY C -11.00 109.00 66.24 62.12 69.95 . . 0 "[ . 1 . 2]"
172 . 1 95 GLY N 1 95 GLY CA 1 95 GLY C 1 96 ASP N 159.00 -81.00 -97.36 -86.83 -90.29 . . 0 "[ . 1 . 2]"
173 . 1 95 GLY C 1 96 ASP N 1 96 ASP CA 1 96 ASP C -116.00 -76.00 -84.25 -105.18 -74.92 1.08 11 0 "[ . 1 . 2]"
174 . 1 96 ASP N 1 96 ASP CA 1 96 ASP C 1 97 HIS N -51.00 59.00 -25.55 -34.73 -13.34 . . 0 "[ . 1 . 2]"
175 . 1 96 ASP C 1 97 HIS N 1 97 HIS CA 1 97 HIS C -158.00 -78.00 -82.41 -77.26 -77.84 0.99 15 0 "[ . 1 . 2]"
176 . 1 97 HIS N 1 97 HIS CA 1 97 HIS C 1 98 SER N 92.00 172.00 146.61 145.50 145.19 . . 0 "[ . 1 . 2]"
177 . 1 97 HIS C 1 98 SER N 1 98 SER CA 1 98 SER C -164.50 -89.50 -155.69 -165.94 -127.86 1.44 19 0 "[ . 1 . 2]"
178 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 GLU N 102.00 172.00 102.69 96.97 136.62 5.03 19 1 "[ . 1 . +2]"
179 . 1 98 SER C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -170.00 -80.00 -111.43 -118.62 -148.85 . . 0 "[ . 1 . 2]"
180 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 THR N 112.00 172.00 132.45 135.70 134.80 1.92 14 0 "[ . 1 . 2]"
181 . 1 99 GLU C 1 100 THR N 1 100 THR CA 1 100 THR C -143.00 -93.00 -133.72 -139.90 -140.05 1.36 20 0 "[ . 1 . 2]"
182 . 1 100 THR N 1 100 THR CA 1 100 THR C 1 101 ARG N 106.50 161.50 134.55 120.29 148.43 . . 0 "[ . 1 . 2]"
183 . 1 100 THR C 1 101 ARG N 1 101 ARG CA 1 101 ARG C -163.10 -100.30 -147.52 -128.38 -141.58 . . 0 "[ . 1 . 2]"
184 . 1 101 ARG N 1 101 ARG CA 1 101 ARG C 1 102 GLU N 114.20 172.00 167.93 169.25 166.00 2.74 10 0 "[ . 1 . 2]"
185 . 1 101 ARG C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -168.50 -90.70 -121.70 -133.32 -105.57 . . 0 "[ . 1 . 2]"
186 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 ILE N 113.10 168.30 151.74 136.61 163.93 . . 0 "[ . 1 . 2]"
187 . 1 102 GLU C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -162.60 -99.00 -135.17 -144.27 -124.78 . . 0 "[ . 1 . 2]"
188 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 PRO N 69.60 -170.40 151.08 154.37 152.77 . . 0 "[ . 1 . 2]"
189 . 1 104 PRO C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -75.70 -25.30 -61.63 -59.85 -59.94 . . 0 "[ . 1 . 2]"
190 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 ALA N -71.60 -18.20 -40.36 -51.36 -31.66 . . 0 "[ . 1 . 2]"
191 . 1 105 LEU C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -78.40 -40.40 -58.37 -53.89 -54.99 . . 0 "[ . 1 . 2]"
192 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 SER N -65.20 -6.80 -44.19 -51.52 -37.06 . . 0 "[ . 1 . 2]"
193 . 1 106 ALA C 1 107 SER N 1 107 SER CA 1 107 SER C -82.30 -52.30 -62.68 -62.29 -63.40 . . 0 "[ . 1 . 2]"
194 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 PHE N -55.70 -25.70 -53.89 -54.63 -55.35 1.02 12 0 "[ . 1 . 2]"
195 . 1 107 SER C 1 108 PHE N 1 108 PHE CA 1 108 PHE C -76.90 -46.90 -59.67 -65.35 -53.17 . . 0 "[ . 1 . 2]"
196 . 1 108 PHE N 1 108 PHE CA 1 108 PHE C 1 109 GLU N -58.60 -27.40 -43.25 -43.30 -44.45 . . 0 "[ . 1 . 2]"
197 . 1 108 PHE C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -76.20 -46.20 -63.80 -63.81 -65.67 . . 0 "[ . 1 . 2]"
198 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 LYS N -57.40 -27.40 -51.85 -57.04 -38.11 . . 0 "[ . 1 . 2]"
199 . 1 109 GLU C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -78.00 -48.00 -64.22 -69.68 -56.50 . . 0 "[ . 1 . 2]"
200 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 ILE N -57.80 -25.40 -36.87 -32.10 -33.56 . . 0 "[ . 1 . 2]"
201 . 1 110 LYS C 1 111 ILE N 1 111 ILE CA 1 111 ILE C -81.00 -51.00 -69.94 -68.18 -69.18 . . 0 "[ . 1 . 2]"
202 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C 1 112 CYS N -58.50 -23.50 -44.58 -52.95 -38.63 . . 0 "[ . 1 . 2]"
203 . 1 111 ILE C 1 112 CYS N 1 112 CYS CA 1 112 CYS C -76.00 -46.00 -66.66 -68.57 -68.94 . . 0 "[ . 1 . 2]"
204 . 1 112 CYS N 1 112 CYS CA 1 112 CYS C 1 113 ARG N -56.00 -26.00 -38.66 -32.36 -33.85 . . 0 "[ . 1 . 2]"
205 . 1 112 CYS C 1 113 ARG N 1 113 ARG CA 1 113 ARG C -77.00 -47.00 -64.86 -78.44 -57.41 1.44 3 0 "[ . 1 . 2]"
206 . 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 ALA N -57.00 -17.00 -42.81 -50.05 -56.02 . . 0 "[ . 1 . 2]"
207 . 1 113 ARG C 1 114 ALA N 1 114 ALA CA 1 114 ALA C -77.00 -47.00 -61.69 -59.47 -61.05 . . 0 "[ . 1 . 2]"
208 . 1 114 ALA N 1 114 ALA CA 1 114 ALA C 1 115 LEU N -57.00 -27.00 -35.60 -57.31 -25.24 1.76 1 0 "[ . 1 . 2]"
209 . 1 114 ALA C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -80.50 -45.50 -67.37 -71.78 -73.37 . . 0 "[ . 1 . 2]"
210 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 LEU N -62.50 -17.50 -42.90 -43.65 -43.98 . . 0 "[ . 1 . 2]"
211 . 1 115 LEU C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -88.00 -48.00 -60.16 -72.13 -55.02 . . 0 "[ . 1 . 2]"
212 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 PHE N -57.00 3.00 -39.44 -31.59 -37.31 . . 0 "[ . 1 . 2]"
213 . 1 116 LEU C 1 117 PHE N 1 117 PHE CA 1 117 PHE C -122.00 -32.00 -79.80 -91.70 -70.42 . . 0 "[ . 1 . 2]"
214 . 1 117 PHE N 1 117 PHE CA 1 117 PHE C 1 118 ARG N -67.00 3.00 -33.34 -62.21 -6.26 . . 0 "[ . 1 . 2]"
215 . 1 117 PHE C 1 118 ARG N 1 118 ARG CA 1 118 ARG C -104.50 -39.50 -84.88 -105.05 -55.36 0.55 14 0 "[ . 1 . 2]"
216 . 1 118 ARG N 1 118 ARG CA 1 118 ARG C 1 119 CYS N -64.50 -9.50 -13.90 -20.02 -31.15 5.78 13 2 "[ .- 1 + . 2]"
217 . 1 118 ARG C 1 119 CYS N 1 119 CYS CA 1 119 CYS C -116.00 -36.00 -58.14 -71.69 -46.69 . . 0 "[ . 1 . 2]"
218 . 1 119 CYS N 1 119 CYS CA 1 119 CYS C 1 120 GLU N -73.00 7.00 -25.38 -17.80 -21.23 . . 0 "[ . 1 . 2]"
219 . 1 119 CYS C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -149.00 -29.00 -87.30 -139.57 -56.30 . . 0 "[ . 1 . 2]"
220 . 1 55 ASP C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -170.00 -130.00 -163.02 -175.75 -142.51 5.75 5 1 "[ + 1 . 2]"
221 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 GLY N 147.00 167.00 152.97 149.04 147.56 1.08 15 0 "[ . 1 . 2]"
222 . 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 ASP N -60.00 -40.00 -55.91 -57.80 -60.01 2.77 3 0 "[ . 1 . 2]"
223 . 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 70 ASP N 112.00 128.00 116.34 109.64 128.89 2.36 17 0 "[ . 1 . 2]"
stop_
save_