NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606635 |
5ks6   |
30136 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5ks6
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 170
_TA_constraint_stats_list.Viol_count 216
_TA_constraint_stats_list.Viol_total 18837.89
_TA_constraint_stats_list.Viol_max 18.09
_TA_constraint_stats_list.Viol_rms 1.49
_TA_constraint_stats_list.Viol_average_all_restraints 0.28
_TA_constraint_stats_list.Viol_average_violations_only 4.36
_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 3 SER C 1 4 THR N 1 4 THR CA 1 4 THR C -83.90 -43.90 -71.27 -77.96 -66.26 . . 0 "[ . 1 . 2]"
2 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 VAL N -57.20 -17.20 -40.28 -50.00 -33.30 . . 0 "[ . 1 . 2]"
3 . 1 4 THR C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -87.00 -47.00 -65.03 -71.08 -60.39 . . 0 "[ . 1 . 2]"
4 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 GLU N -60.90 -20.90 -42.26 -36.36 -37.56 . . 0 "[ . 1 . 2]"
5 . 1 5 VAL C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -86.10 -46.10 -62.72 -62.49 -63.68 . . 0 "[ . 1 . 2]"
6 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 PHE N -59.90 -19.90 -43.41 -51.98 -32.32 . . 0 "[ . 1 . 2]"
7 . 1 6 GLU C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -84.10 -44.10 -61.96 -65.38 -67.62 . . 0 "[ . 1 . 2]"
8 . 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 ILE N -64.90 -24.90 -48.08 -61.80 -39.22 . . 0 "[ . 1 . 2]"
9 . 1 7 PHE C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -85.10 -45.10 -63.60 -68.06 -57.77 . . 0 "[ . 1 . 2]"
10 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 ASN N -61.20 -21.20 -42.68 -37.03 -37.36 . . 0 "[ . 1 . 2]"
11 . 1 8 ILE C 1 9 ASN N 1 9 ASN CA 1 9 ASN C -85.10 -45.10 -65.05 -73.29 -58.67 . . 0 "[ . 1 . 2]"
12 . 1 9 ASN N 1 9 ASN CA 1 9 ASN C 1 10 ARG N -59.40 -19.40 -31.02 -28.17 -28.70 . . 0 "[ . 1 . 2]"
13 . 1 9 ASN C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -86.30 -46.30 -72.37 -82.11 -56.77 . . 0 "[ . 1 . 2]"
14 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 TRP N -59.70 -19.70 -39.44 -41.42 -46.08 . . 0 "[ . 1 . 2]"
15 . 1 10 ARG C 1 11 TRP N 1 11 TRP CA 1 11 TRP C -85.60 -45.60 -70.86 -76.60 -65.65 . . 0 "[ . 1 . 2]"
16 . 1 11 TRP N 1 11 TRP CA 1 11 TRP C 1 12 GLN N -60.00 -20.00 -27.34 -34.16 -19.71 0.29 9 0 "[ . 1 . 2]"
17 . 1 11 TRP C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -84.20 -44.20 -64.92 -68.73 -72.18 . . 0 "[ . 1 . 2]"
18 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 ARG N -61.50 -21.50 -46.26 -52.19 -38.79 . . 0 "[ . 1 . 2]"
19 . 1 12 GLN C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -85.30 -45.30 -58.35 -63.99 -48.25 . . 0 "[ . 1 . 2]"
20 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 ILE N -59.90 -19.90 -48.97 -50.98 -52.33 . . 0 "[ . 1 . 2]"
21 . 1 13 ARG C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -87.70 -47.70 -65.13 -70.41 -59.95 . . 0 "[ . 1 . 2]"
22 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 ALA N -58.90 -18.90 -47.52 -52.81 -42.74 . . 0 "[ . 1 . 2]"
23 . 1 14 ILE C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -84.70 -44.70 -59.00 -57.36 -58.05 . . 0 "[ . 1 . 2]"
24 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 LEU N -62.80 -22.80 -46.04 -45.72 -46.55 . . 0 "[ . 1 . 2]"
25 . 1 15 ALA C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -85.60 -45.60 -75.12 -81.83 -69.26 . . 0 "[ . 1 . 2]"
26 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 LEU N -60.50 -20.50 -39.42 -40.80 -43.58 . . 0 "[ . 1 . 2]"
27 . 1 16 LEU C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -84.70 -44.70 -65.11 -64.45 -64.83 . . 0 "[ . 1 . 2]"
28 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 SER N -63.90 -23.90 -48.28 -56.83 -31.94 . . 0 "[ . 1 . 2]"
29 . 1 17 LEU C 1 18 SER N 1 18 SER CA 1 18 SER C -84.00 -44.00 -64.68 -63.60 -64.63 . . 0 "[ . 1 . 2]"
30 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 GLN N -60.50 -20.50 -36.82 -36.47 -37.10 . . 0 "[ . 1 . 2]"
31 . 1 18 SER C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -86.90 -46.90 -61.30 -69.11 -56.95 . . 0 "[ . 1 . 2]"
32 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 SER N -61.40 -21.40 -45.48 -45.57 -46.92 . . 0 "[ . 1 . 2]"
33 . 1 19 GLN C 1 20 SER N 1 20 SER CA 1 20 SER C -85.60 -45.60 -61.08 -70.05 -56.74 . . 0 "[ . 1 . 2]"
34 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 LEU N -59.60 -19.60 -47.35 -43.84 -45.45 . . 0 "[ . 1 . 2]"
35 . 1 20 SER C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -85.50 -45.50 -63.87 -64.43 -64.80 . . 0 "[ . 1 . 2]"
36 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 LEU N -60.20 -20.20 -31.55 -39.83 -24.71 . . 0 "[ . 1 . 2]"
37 . 1 21 LEU C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -85.80 -45.80 -67.68 -73.33 -61.09 . . 0 "[ . 1 . 2]"
38 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 GLU N -60.80 -20.80 -54.06 -55.72 -57.25 0.75 7 0 "[ . 1 . 2]"
39 . 1 22 LEU C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -85.20 -45.20 -55.39 -55.37 -56.23 . . 0 "[ . 1 . 2]"
40 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 LEU N -61.00 -21.00 -51.67 -60.48 -43.14 . . 0 "[ . 1 . 2]"
41 . 1 23 GLU C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -84.80 -44.80 -62.29 -63.47 -64.20 . . 0 "[ . 1 . 2]"
42 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 ALA N -60.60 -20.60 -39.99 -51.36 -32.19 . . 0 "[ . 1 . 2]"
43 . 1 24 LEU C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -84.80 -44.80 -61.74 -58.73 -59.62 . . 0 "[ . 1 . 2]"
44 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 GLN N -58.20 -18.20 -43.95 -49.07 -34.25 . . 0 "[ . 1 . 2]"
45 . 1 25 ALA C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -87.40 -47.40 -67.38 -63.77 -64.42 . . 0 "[ . 1 . 2]"
46 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 ARG N -47.30 -7.30 -29.62 -39.54 -14.82 . . 0 "[ . 1 . 2]"
47 . 1 26 GLN C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -107.50 -67.50 -82.75 -91.98 -74.67 . . 0 "[ . 1 . 2]"
48 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 GLY N -24.80 15.20 -11.61 3.78 -2.15 3.25 12 0 "[ . 1 . 2]"
49 . 1 27 ARG C 1 28 GLY N 1 28 GLY CA 1 28 GLY C 58.60 98.60 88.11 77.76 98.73 0.13 12 0 "[ . 1 . 2]"
50 . 1 28 GLY N 1 28 GLY CA 1 28 GLY C 1 29 GLU N -2.80 37.20 12.13 12.12 10.04 . . 0 "[ . 1 . 2]"
51 . 1 28 GLY C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -108.20 -68.20 -85.10 -97.83 -79.01 . . 0 "[ . 1 . 2]"
52 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 TRP N 50.30 90.30 57.84 49.65 70.01 0.65 6 0 "[ . 1 . 2]"
53 . 1 29 GLU C 1 30 TRP N 1 30 TRP CA 1 30 TRP C -88.60 -48.60 -63.82 -69.93 -53.58 . . 0 "[ . 1 . 2]"
54 . 1 30 TRP N 1 30 TRP CA 1 30 TRP C 1 31 ASP N -53.40 -13.40 -30.36 -30.57 -32.04 . . 0 "[ . 1 . 2]"
55 . 1 30 TRP C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -81.80 -41.80 -56.73 -62.06 -51.89 . . 0 "[ . 1 . 2]"
56 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 LEU N -63.40 -23.40 -45.08 -54.74 -31.90 . . 0 "[ . 1 . 2]"
57 . 1 31 ASP C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -88.80 -48.80 -66.69 -72.30 -62.14 . . 0 "[ . 1 . 2]"
58 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 LEU N -58.90 -18.90 -29.37 -18.93 -24.33 . . 0 "[ . 1 . 2]"
59 . 1 32 LEU C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -83.90 -43.90 -67.02 -70.48 -61.74 . . 0 "[ . 1 . 2]"
60 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 LEU N -64.30 -24.30 -44.38 -54.92 -39.61 . . 0 "[ . 1 . 2]"
61 . 1 33 LEU C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -87.40 -47.40 -65.02 -64.36 -65.02 . . 0 "[ . 1 . 2]"
62 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 GLN N -55.50 -15.50 -35.25 -45.43 -22.94 . . 0 "[ . 1 . 2]"
63 . 1 34 LEU C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -87.50 -47.50 -73.18 -71.67 -73.51 . . 0 "[ . 1 . 2]"
64 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 GLN N -56.90 -16.90 -48.76 -58.04 -28.16 1.14 19 0 "[ . 1 . 2]"
65 . 1 35 GLN C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -88.20 -48.20 -74.37 -82.79 -85.56 2.47 10 0 "[ . 1 . 2]"
66 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 GLU N -56.80 -16.80 -14.22 -19.71 -10.39 6.41 19 3 "[ .- *1 . +2]"
67 . 1 36 GLN C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -85.80 -45.80 -49.73 -60.02 -44.57 1.23 1 0 "[ . 1 . 2]"
68 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 VAL N -62.90 -22.90 -54.31 -65.97 -36.98 3.07 2 0 "[ . 1 . 2]"
69 . 1 37 GLU C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -83.70 -43.70 -58.91 -62.77 -65.49 . . 0 "[ . 1 . 2]"
70 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 SER N -62.70 -22.70 -44.96 -55.67 -33.26 . . 0 "[ . 1 . 2]"
71 . 1 38 VAL C 1 39 SER N 1 39 SER CA 1 39 SER C -85.50 -45.50 -65.51 -74.88 -55.60 . . 0 "[ . 1 . 2]"
72 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 TYR N -57.30 -17.30 -42.36 -57.31 -33.20 0.01 9 0 "[ . 1 . 2]"
73 . 1 39 SER C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -84.60 -44.60 -65.71 -70.94 -78.11 . . 0 "[ . 1 . 2]"
74 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 LEU N -65.70 -25.70 -47.12 -40.75 -42.78 . . 0 "[ . 1 . 2]"
75 . 1 40 TYR C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -86.60 -46.60 -65.77 -78.47 -55.75 . . 0 "[ . 1 . 2]"
76 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 GLN N -57.70 -17.70 -44.38 -58.29 -23.35 0.59 18 0 "[ . 1 . 2]"
77 . 1 41 LEU C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -87.00 -47.00 -58.96 -67.57 -52.21 . . 0 "[ . 1 . 2]"
78 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 SER N -58.20 -18.20 -47.05 -45.81 -47.90 . . 0 "[ . 1 . 2]"
79 . 1 42 GLN C 1 43 SER N 1 43 SER CA 1 43 SER C -87.30 -47.30 -60.10 -65.74 -54.02 . . 0 "[ . 1 . 2]"
80 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 ILE N -60.30 -20.30 -55.84 -56.39 -56.98 2.52 5 0 "[ . 1 . 2]"
81 . 1 43 SER C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -86.40 -46.40 -63.06 -59.20 -59.95 . . 0 "[ . 1 . 2]"
82 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 GLU N -58.80 -18.80 -37.76 -42.77 -28.67 . . 0 "[ . 1 . 2]"
83 . 1 44 ILE C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -86.20 -46.20 -62.94 -69.62 -72.24 . . 0 "[ . 1 . 2]"
84 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 THR N -58.90 -18.90 -47.71 -55.12 -37.07 . . 0 "[ . 1 . 2]"
85 . 1 45 GLU C 1 46 THR N 1 46 THR CA 1 46 THR C -87.10 -47.10 -59.27 -57.06 -57.53 . . 0 "[ . 1 . 2]"
86 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 VAL N -57.90 -17.90 -35.55 -39.12 -39.94 . . 0 "[ . 1 . 2]"
87 . 1 46 THR C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -87.80 -47.80 -71.48 -65.98 -67.82 . . 0 "[ . 1 . 2]"
88 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 MET N -56.60 -16.60 -45.33 -46.57 -47.85 . . 0 "[ . 1 . 2]"
89 . 1 47 VAL C 1 48 MET N 1 48 MET CA 1 48 MET C -89.10 -49.10 -71.06 -76.00 -62.12 . . 0 "[ . 1 . 2]"
90 . 1 48 MET N 1 48 MET CA 1 48 MET C 1 49 GLU N -48.50 -8.50 -25.41 -34.93 -43.74 . . 0 "[ . 1 . 2]"
91 . 1 48 MET C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -103.30 -63.30 -81.54 -78.01 -80.47 . . 0 "[ . 1 . 2]"
92 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 LYS N -33.50 6.50 -22.66 -37.30 4.12 3.80 4 0 "[ . 1 . 2]"
93 . 1 50 LYS C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -97.20 -56.20 -74.61 -90.76 -61.86 . . 0 "[ . 1 . 2]"
94 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 THR N 105.50 159.00 138.76 158.52 151.99 . . 0 "[ . 1 . 2]"
95 . 1 51 GLN C 1 52 THR N 1 52 THR CA 1 52 THR C -109.40 -42.00 -70.78 -83.98 -58.56 . . 0 "[ . 1 . 2]"
96 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 PRO N 112.40 152.40 126.60 116.23 134.29 . . 0 "[ . 1 . 2]"
97 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 PRO N 157.50 167.50 154.69 156.80 156.26 6.18 6 4 "[ *.+ - * 2]"
98 . 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 GLY N -70.00 -50.00 -47.29 -45.54 -46.40 5.88 6 3 "[ .+* - . 2]"
99 . 1 58 ARG C 1 59 SER N 1 59 SER CA 1 59 SER C -83.90 -43.90 -60.17 -63.95 -54.73 . . 0 "[ . 1 . 2]"
100 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 ILE N -56.90 -16.90 -43.18 -45.24 -47.39 . . 0 "[ . 1 . 2]"
101 . 1 59 SER C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -89.40 -49.40 -65.35 -59.81 -60.28 . . 0 "[ . 1 . 2]"
102 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 GLN N -56.30 -16.30 -40.88 -48.79 -23.74 . . 0 "[ . 1 . 2]"
103 . 1 60 ILE C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -84.40 -44.40 -61.54 -70.97 -57.18 . . 0 "[ . 1 . 2]"
104 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 ASP N -62.80 -22.80 -39.85 -42.71 -45.63 . . 0 "[ . 1 . 2]"
105 . 1 61 GLN C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -86.30 -46.30 -69.21 -71.56 -72.77 . . 0 "[ . 1 . 2]"
106 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 MET N -56.80 -16.80 -41.54 -50.34 -32.81 . . 0 "[ . 1 . 2]"
107 . 1 62 ASP C 1 63 MET N 1 63 MET CA 1 63 MET C -87.90 -47.90 -67.01 -71.51 -74.48 . . 0 "[ . 1 . 2]"
108 . 1 63 MET N 1 63 MET CA 1 63 MET C 1 64 VAL N -61.50 -21.50 -49.38 -41.58 -41.82 . . 0 "[ . 1 . 2]"
109 . 1 63 MET C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -83.70 -43.70 -61.43 -67.90 -54.72 . . 0 "[ . 1 . 2]"
110 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 ALA N -62.80 -22.80 -57.14 -64.59 -49.44 1.79 16 0 "[ . 1 . 2]"
111 . 1 64 VAL C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -85.70 -45.70 -63.02 -69.14 -59.14 . . 0 "[ . 1 . 2]"
112 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 GLY N -55.90 -15.90 -32.08 -29.81 -32.33 . . 0 "[ . 1 . 2]"
113 . 1 65 ALA C 1 66 GLY N 1 66 GLY CA 1 66 GLY C -84.40 -44.40 -63.98 -69.23 -56.34 . . 0 "[ . 1 . 2]"
114 . 1 66 GLY N 1 66 GLY CA 1 66 GLY C 1 67 TYR N -60.60 -20.60 -41.08 -54.01 -37.17 . . 0 "[ . 1 . 2]"
115 . 1 66 GLY C 1 67 TYR N 1 67 TYR CA 1 67 TYR C -86.20 -46.20 -72.78 -72.58 -74.72 . . 0 "[ . 1 . 2]"
116 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 ILE N -60.20 -20.20 -34.96 -42.60 -23.17 . . 0 "[ . 1 . 2]"
117 . 1 67 TYR C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -84.40 -44.40 -61.96 -58.44 -59.34 . . 0 "[ . 1 . 2]"
118 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 LYS N -63.30 -23.30 -50.80 -53.68 -56.13 . . 0 "[ . 1 . 2]"
119 . 1 68 ILE C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -83.40 -43.40 -56.18 -61.02 -52.11 . . 0 "[ . 1 . 2]"
120 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 GLN N -61.10 -21.10 -45.88 -49.07 -38.24 . . 0 "[ . 1 . 2]"
121 . 1 69 LYS C 1 70 GLN N 1 70 GLN CA 1 70 GLN C -85.30 -45.30 -58.81 -58.25 -58.91 . . 0 "[ . 1 . 2]"
122 . 1 70 GLN N 1 70 GLN CA 1 70 GLN C 1 71 THR N -59.00 -19.00 -47.83 -51.11 -52.39 . . 0 "[ . 1 . 2]"
123 . 1 70 GLN C 1 71 THR N 1 71 THR CA 1 71 THR C -83.90 -43.90 -75.54 -79.66 -60.59 . . 0 "[ . 1 . 2]"
124 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 LEU N -63.90 -23.90 -24.71 -23.74 -25.47 5.16 4 1 "[ +. 1 . 2]"
125 . 1 71 THR C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -85.60 -45.60 -68.51 -79.74 -61.21 . . 0 "[ . 1 . 2]"
126 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 ASP N -62.70 -22.70 -42.66 -41.36 -50.94 . . 0 "[ . 1 . 2]"
127 . 1 72 LEU C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -83.50 -43.50 -66.19 -65.71 -66.88 . . 0 "[ . 1 . 2]"
128 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 ASN N -61.20 -21.20 -50.97 -61.89 -38.44 0.69 10 0 "[ . 1 . 2]"
129 . 1 73 ASP C 1 74 ASN N 1 74 ASN CA 1 74 ASN C -87.00 -47.00 -58.02 -63.43 -51.87 . . 0 "[ . 1 . 2]"
130 . 1 74 ASN N 1 74 ASN CA 1 74 ASN C 1 75 GLU N -57.20 -17.20 -49.27 -45.22 -49.57 0.68 9 0 "[ . 1 . 2]"
131 . 1 74 ASN C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -84.90 -44.90 -66.29 -66.47 -70.08 . . 0 "[ . 1 . 2]"
132 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 GLN N -59.60 -19.60 -40.16 -61.64 -15.40 4.20 5 0 "[ . 1 . 2]"
133 . 1 75 GLU C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -84.20 -44.20 -65.58 -63.50 -64.22 . . 0 "[ . 1 . 2]"
134 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 LEU N -60.80 -20.80 -39.46 -48.85 -26.10 . . 0 "[ . 1 . 2]"
135 . 1 76 GLN C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -85.80 -45.80 -65.58 -72.23 -59.58 . . 0 "[ . 1 . 2]"
136 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 LEU N -61.20 -21.20 -42.34 -57.13 -30.56 . . 0 "[ . 1 . 2]"
137 . 1 80 GLY C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -86.10 -46.10 -73.52 -86.16 -62.13 0.06 17 0 "[ . 1 . 2]"
138 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 LEU N -63.00 -23.00 -44.25 -44.79 -47.13 1.26 10 0 "[ . 1 . 2]"
139 . 1 81 LEU C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -84.50 -44.50 -70.26 -87.30 -56.77 2.80 17 0 "[ . 1 . 2]"
140 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 GLN N -63.10 -23.10 -55.04 -52.80 -62.69 6.44 7 1 "[ . + 1 . 2]"
141 . 1 97 THR C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -88.30 -48.30 -56.76 -53.57 -56.42 2.32 14 0 "[ . 1 . 2]"
142 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 GLN N -54.80 -14.80 -51.33 -61.97 -13.26 7.17 8 2 "[ . + 1 - . 2]"
143 . 1 98 ARG C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -88.30 -48.30 -65.76 -83.66 -55.66 . . 0 "[ . 1 . 2]"
144 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 LYS N -54.80 -14.80 -45.36 -47.00 -50.15 0.78 9 0 "[ . 1 . 2]"
145 . 1 99 GLN C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -88.30 -48.30 -65.05 -72.75 -56.50 . . 0 "[ . 1 . 2]"
146 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 SER N -54.80 -14.80 -45.32 -42.99 -45.41 0.81 12 0 "[ . 1 . 2]"
147 . 1 100 LYS C 1 101 SER N 1 101 SER CA 1 101 SER C -88.30 -48.30 -70.03 -78.33 -57.48 . . 0 "[ . 1 . 2]"
148 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 LEU N -54.80 -14.80 -40.62 -40.24 -41.29 2.12 13 0 "[ . 1 . 2]"
149 . 1 101 SER C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -88.30 -48.30 -76.15 -72.38 -74.56 . . 0 "[ . 1 . 2]"
150 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ASN N -54.80 -14.80 -34.83 -48.26 -23.73 . . 0 "[ . 1 . 2]"
151 . 1 102 LEU C 1 103 ASN N 1 103 ASN CA 1 103 ASN C -88.30 -48.30 -69.90 -71.01 -72.46 . . 0 "[ . 1 . 2]"
152 . 1 103 ASN N 1 103 ASN CA 1 103 ASN C 1 104 ASN N -54.80 -14.80 -37.23 -41.35 -41.87 . . 0 "[ . 1 . 2]"
153 . 1 103 ASN C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -88.30 -48.30 -67.81 -74.47 -59.71 . . 0 "[ . 1 . 2]"
154 . 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 ALA N -54.80 -14.80 -39.51 -41.28 -43.68 . . 0 "[ . 1 . 2]"
155 . 1 104 ASN C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -88.30 -48.30 -60.89 -59.41 -59.62 . . 0 "[ . 1 . 2]"
156 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 TYR N -54.80 -14.80 -41.83 -49.59 -31.36 . . 0 "[ . 1 . 2]"
157 . 1 105 ALA C 1 106 TYR N 1 106 TYR CA 1 106 TYR C -88.30 -48.30 -61.89 -59.47 -60.71 . . 0 "[ . 1 . 2]"
158 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C 1 107 GLY N -54.80 -14.80 -50.44 -58.32 -42.03 3.52 19 0 "[ . 1 . 2]"
159 . 1 106 TYR C 1 107 GLY N 1 107 GLY CA 1 107 GLY C -88.30 -48.30 -62.39 -69.00 -53.19 . . 0 "[ . 1 . 2]"
160 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 ARG N -54.80 -14.80 -39.80 -55.01 -30.30 0.21 13 0 "[ . 1 . 2]"
161 . 1 107 GLY C 1 108 ARG N 1 108 ARG CA 1 108 ARG C -88.30 -48.30 -72.96 -69.13 -70.20 . . 0 "[ . 1 . 2]"
162 . 1 108 ARG N 1 108 ARG CA 1 108 ARG C 1 109 LEU N -54.80 -14.80 -32.51 -36.42 -37.93 0.27 16 0 "[ . 1 . 2]"
163 . 1 108 ARG C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -88.30 -48.30 -67.13 -64.17 -65.91 . . 0 "[ . 1 . 2]"
164 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 SER N -54.80 -14.80 -40.64 -55.10 -28.27 0.30 8 0 "[ . 1 . 2]"
165 . 1 109 LEU C 1 110 SER N 1 110 SER CA 1 110 SER C -88.30 -48.30 -70.81 -72.81 -76.03 . . 0 "[ . 1 . 2]"
166 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 GLY N -54.80 -14.80 -37.13 -48.75 -18.05 . . 0 "[ . 1 . 2]"
167 . 1 110 SER C 1 111 GLY N 1 111 GLY CA 1 111 GLY C -88.30 -48.30 -86.93 -91.20 -73.01 2.90 2 0 "[ . 1 . 2]"
168 . 1 111 GLY N 1 111 GLY CA 1 111 GLY C 1 112 MET N -54.80 -14.80 -63.92 -65.18 -66.18 13.45 19 19 "[****** ***-*******+*]"
169 . 1 111 GLY C 1 112 MET N 1 112 MET CA 1 112 MET C -88.30 -48.30 -95.55 -93.80 -94.50 11.02 18 15 "[* **** * *-**** +**]"
170 . 1 112 MET N 1 112 MET CA 1 112 MET C 1 113 LEU N -54.80 -14.80 -68.14 -72.89 -62.99 18.09 10 20 [*********+********-*]
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 170
_TA_constraint_stats_list.Viol_count 216
_TA_constraint_stats_list.Viol_total 18837.89
_TA_constraint_stats_list.Viol_max 18.09
_TA_constraint_stats_list.Viol_rms 1.49
_TA_constraint_stats_list.Viol_average_all_restraints 0.28
_TA_constraint_stats_list.Viol_average_violations_only 4.36
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 SER C 1 4 THR N 1 4 THR CA 1 4 THR C -83.90 -43.90 -71.27 -77.96 -66.26 . . 0 "[ . 1 . 2]"
2 . 1 4 THR N 1 4 THR CA 1 4 THR C 1 5 VAL N -57.20 -17.20 -40.28 -50.00 -33.30 . . 0 "[ . 1 . 2]"
3 . 1 4 THR C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -87.00 -47.00 -65.03 -71.08 -60.39 . . 0 "[ . 1 . 2]"
4 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 GLU N -60.90 -20.90 -42.26 -36.36 -37.56 . . 0 "[ . 1 . 2]"
5 . 1 5 VAL C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -86.10 -46.10 -62.72 -62.49 -63.68 . . 0 "[ . 1 . 2]"
6 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 PHE N -59.90 -19.90 -43.41 -51.98 -32.32 . . 0 "[ . 1 . 2]"
7 . 1 6 GLU C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -84.10 -44.10 -61.96 -65.38 -67.62 . . 0 "[ . 1 . 2]"
8 . 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 ILE N -64.90 -24.90 -48.08 -61.80 -39.22 . . 0 "[ . 1 . 2]"
9 . 1 7 PHE C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -85.10 -45.10 -63.60 -68.06 -57.77 . . 0 "[ . 1 . 2]"
10 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 ASN N -61.20 -21.20 -42.68 -37.03 -37.36 . . 0 "[ . 1 . 2]"
11 . 1 8 ILE C 1 9 ASN N 1 9 ASN CA 1 9 ASN C -85.10 -45.10 -65.05 -73.29 -58.67 . . 0 "[ . 1 . 2]"
12 . 1 9 ASN N 1 9 ASN CA 1 9 ASN C 1 10 ARG N -59.40 -19.40 -31.02 -28.17 -28.70 . . 0 "[ . 1 . 2]"
13 . 1 9 ASN C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -86.30 -46.30 -72.37 -82.11 -56.77 . . 0 "[ . 1 . 2]"
14 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 TRP N -59.70 -19.70 -39.44 -41.42 -46.08 . . 0 "[ . 1 . 2]"
15 . 1 10 ARG C 1 11 TRP N 1 11 TRP CA 1 11 TRP C -85.60 -45.60 -70.86 -76.60 -65.65 . . 0 "[ . 1 . 2]"
16 . 1 11 TRP N 1 11 TRP CA 1 11 TRP C 1 12 GLN N -60.00 -20.00 -27.34 -34.16 -19.71 0.29 9 0 "[ . 1 . 2]"
17 . 1 11 TRP C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -84.20 -44.20 -64.92 -68.73 -72.18 . . 0 "[ . 1 . 2]"
18 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 ARG N -61.50 -21.50 -46.26 -52.19 -38.79 . . 0 "[ . 1 . 2]"
19 . 1 12 GLN C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -85.30 -45.30 -58.35 -63.99 -48.25 . . 0 "[ . 1 . 2]"
20 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 ILE N -59.90 -19.90 -48.97 -50.98 -52.33 . . 0 "[ . 1 . 2]"
21 . 1 13 ARG C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -87.70 -47.70 -65.13 -70.41 -59.95 . . 0 "[ . 1 . 2]"
22 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 ALA N -58.90 -18.90 -47.52 -52.81 -42.74 . . 0 "[ . 1 . 2]"
23 . 1 14 ILE C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -84.70 -44.70 -59.00 -57.36 -58.05 . . 0 "[ . 1 . 2]"
24 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 LEU N -62.80 -22.80 -46.04 -45.72 -46.55 . . 0 "[ . 1 . 2]"
25 . 1 15 ALA C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -85.60 -45.60 -75.12 -81.83 -69.26 . . 0 "[ . 1 . 2]"
26 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 LEU N -60.50 -20.50 -39.42 -40.80 -43.58 . . 0 "[ . 1 . 2]"
27 . 1 16 LEU C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -84.70 -44.70 -65.11 -64.45 -64.83 . . 0 "[ . 1 . 2]"
28 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 SER N -63.90 -23.90 -48.28 -56.83 -31.94 . . 0 "[ . 1 . 2]"
29 . 1 17 LEU C 1 18 SER N 1 18 SER CA 1 18 SER C -84.00 -44.00 -64.68 -63.60 -64.63 . . 0 "[ . 1 . 2]"
30 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 GLN N -60.50 -20.50 -36.82 -36.47 -37.10 . . 0 "[ . 1 . 2]"
31 . 1 18 SER C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -86.90 -46.90 -61.30 -69.11 -56.95 . . 0 "[ . 1 . 2]"
32 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 SER N -61.40 -21.40 -45.48 -45.57 -46.92 . . 0 "[ . 1 . 2]"
33 . 1 19 GLN C 1 20 SER N 1 20 SER CA 1 20 SER C -85.60 -45.60 -61.08 -70.05 -56.74 . . 0 "[ . 1 . 2]"
34 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 LEU N -59.60 -19.60 -47.35 -43.84 -45.45 . . 0 "[ . 1 . 2]"
35 . 1 20 SER C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -85.50 -45.50 -63.87 -64.43 -64.80 . . 0 "[ . 1 . 2]"
36 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 LEU N -60.20 -20.20 -31.55 -39.83 -24.71 . . 0 "[ . 1 . 2]"
37 . 1 21 LEU C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -85.80 -45.80 -67.68 -73.33 -61.09 . . 0 "[ . 1 . 2]"
38 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 GLU N -60.80 -20.80 -54.06 -55.72 -57.25 0.75 7 0 "[ . 1 . 2]"
39 . 1 22 LEU C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -85.20 -45.20 -55.39 -55.37 -56.23 . . 0 "[ . 1 . 2]"
40 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 LEU N -61.00 -21.00 -51.67 -60.48 -43.14 . . 0 "[ . 1 . 2]"
41 . 1 23 GLU C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -84.80 -44.80 -62.29 -63.47 -64.20 . . 0 "[ . 1 . 2]"
42 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 ALA N -60.60 -20.60 -39.99 -51.36 -32.19 . . 0 "[ . 1 . 2]"
43 . 1 24 LEU C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -84.80 -44.80 -61.74 -58.73 -59.62 . . 0 "[ . 1 . 2]"
44 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 GLN N -58.20 -18.20 -43.95 -49.07 -34.25 . . 0 "[ . 1 . 2]"
45 . 1 25 ALA C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -87.40 -47.40 -67.38 -63.77 -64.42 . . 0 "[ . 1 . 2]"
46 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 ARG N -47.30 -7.30 -29.62 -39.54 -14.82 . . 0 "[ . 1 . 2]"
47 . 1 26 GLN C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -107.50 -67.50 -82.75 -91.98 -74.67 . . 0 "[ . 1 . 2]"
48 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 GLY N -24.80 15.20 -11.61 3.78 -2.15 3.25 12 0 "[ . 1 . 2]"
49 . 1 27 ARG C 1 28 GLY N 1 28 GLY CA 1 28 GLY C 58.60 98.60 88.11 77.76 98.73 0.13 12 0 "[ . 1 . 2]"
50 . 1 28 GLY N 1 28 GLY CA 1 28 GLY C 1 29 GLU N -2.80 37.20 12.13 12.12 10.04 . . 0 "[ . 1 . 2]"
51 . 1 28 GLY C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -108.20 -68.20 -85.10 -97.83 -79.01 . . 0 "[ . 1 . 2]"
52 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 TRP N 50.30 90.30 57.84 49.65 70.01 0.65 6 0 "[ . 1 . 2]"
53 . 1 29 GLU C 1 30 TRP N 1 30 TRP CA 1 30 TRP C -88.60 -48.60 -63.82 -69.93 -53.58 . . 0 "[ . 1 . 2]"
54 . 1 30 TRP N 1 30 TRP CA 1 30 TRP C 1 31 ASP N -53.40 -13.40 -30.36 -30.57 -32.04 . . 0 "[ . 1 . 2]"
55 . 1 30 TRP C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -81.80 -41.80 -56.73 -62.06 -51.89 . . 0 "[ . 1 . 2]"
56 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 LEU N -63.40 -23.40 -45.08 -54.74 -31.90 . . 0 "[ . 1 . 2]"
57 . 1 31 ASP C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -88.80 -48.80 -66.69 -72.30 -62.14 . . 0 "[ . 1 . 2]"
58 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 LEU N -58.90 -18.90 -29.37 -18.93 -24.33 . . 0 "[ . 1 . 2]"
59 . 1 32 LEU C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -83.90 -43.90 -67.02 -70.48 -61.74 . . 0 "[ . 1 . 2]"
60 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 LEU N -64.30 -24.30 -44.38 -54.92 -39.61 . . 0 "[ . 1 . 2]"
61 . 1 33 LEU C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -87.40 -47.40 -65.02 -64.36 -65.02 . . 0 "[ . 1 . 2]"
62 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 GLN N -55.50 -15.50 -35.25 -45.43 -22.94 . . 0 "[ . 1 . 2]"
63 . 1 34 LEU C 1 35 GLN N 1 35 GLN CA 1 35 GLN C -87.50 -47.50 -73.18 -71.67 -73.51 . . 0 "[ . 1 . 2]"
64 . 1 35 GLN N 1 35 GLN CA 1 35 GLN C 1 36 GLN N -56.90 -16.90 -48.76 -58.04 -28.16 1.14 19 0 "[ . 1 . 2]"
65 . 1 35 GLN C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -88.20 -48.20 -74.37 -82.79 -85.56 2.47 10 0 "[ . 1 . 2]"
66 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 GLU N -56.80 -16.80 -14.22 -19.71 -10.39 6.41 19 3 "[ .- *1 . +2]"
67 . 1 36 GLN C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -85.80 -45.80 -49.73 -60.02 -44.57 1.23 1 0 "[ . 1 . 2]"
68 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 VAL N -62.90 -22.90 -54.31 -65.97 -36.98 3.07 2 0 "[ . 1 . 2]"
69 . 1 37 GLU C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -83.70 -43.70 -58.91 -62.77 -65.49 . . 0 "[ . 1 . 2]"
70 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 SER N -62.70 -22.70 -44.96 -55.67 -33.26 . . 0 "[ . 1 . 2]"
71 . 1 38 VAL C 1 39 SER N 1 39 SER CA 1 39 SER C -85.50 -45.50 -65.51 -74.88 -55.60 . . 0 "[ . 1 . 2]"
72 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 TYR N -57.30 -17.30 -42.36 -57.31 -33.20 0.01 9 0 "[ . 1 . 2]"
73 . 1 39 SER C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -84.60 -44.60 -65.71 -70.94 -78.11 . . 0 "[ . 1 . 2]"
74 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 LEU N -65.70 -25.70 -47.12 -40.75 -42.78 . . 0 "[ . 1 . 2]"
75 . 1 40 TYR C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -86.60 -46.60 -65.77 -78.47 -55.75 . . 0 "[ . 1 . 2]"
76 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 GLN N -57.70 -17.70 -44.38 -58.29 -23.35 0.59 18 0 "[ . 1 . 2]"
77 . 1 41 LEU C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -87.00 -47.00 -58.96 -67.57 -52.21 . . 0 "[ . 1 . 2]"
78 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 SER N -58.20 -18.20 -47.05 -45.81 -47.90 . . 0 "[ . 1 . 2]"
79 . 1 42 GLN C 1 43 SER N 1 43 SER CA 1 43 SER C -87.30 -47.30 -60.10 -65.74 -54.02 . . 0 "[ . 1 . 2]"
80 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 ILE N -60.30 -20.30 -55.84 -56.39 -56.98 2.52 5 0 "[ . 1 . 2]"
81 . 1 43 SER C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -86.40 -46.40 -63.06 -59.20 -59.95 . . 0 "[ . 1 . 2]"
82 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 GLU N -58.80 -18.80 -37.76 -42.77 -28.67 . . 0 "[ . 1 . 2]"
83 . 1 44 ILE C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -86.20 -46.20 -62.94 -69.62 -72.24 . . 0 "[ . 1 . 2]"
84 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 THR N -58.90 -18.90 -47.71 -55.12 -37.07 . . 0 "[ . 1 . 2]"
85 . 1 45 GLU C 1 46 THR N 1 46 THR CA 1 46 THR C -87.10 -47.10 -59.27 -57.06 -57.53 . . 0 "[ . 1 . 2]"
86 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 VAL N -57.90 -17.90 -35.55 -39.12 -39.94 . . 0 "[ . 1 . 2]"
87 . 1 46 THR C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -87.80 -47.80 -71.48 -65.98 -67.82 . . 0 "[ . 1 . 2]"
88 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 MET N -56.60 -16.60 -45.33 -46.57 -47.85 . . 0 "[ . 1 . 2]"
89 . 1 47 VAL C 1 48 MET N 1 48 MET CA 1 48 MET C -89.10 -49.10 -71.06 -76.00 -62.12 . . 0 "[ . 1 . 2]"
90 . 1 48 MET N 1 48 MET CA 1 48 MET C 1 49 GLU N -48.50 -8.50 -25.41 -34.93 -43.74 . . 0 "[ . 1 . 2]"
91 . 1 48 MET C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -103.30 -63.30 -81.54 -78.01 -80.47 . . 0 "[ . 1 . 2]"
92 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 LYS N -33.50 6.50 -22.66 -37.30 4.12 3.80 4 0 "[ . 1 . 2]"
93 . 1 50 LYS C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -97.20 -56.20 -74.61 -90.76 -61.86 . . 0 "[ . 1 . 2]"
94 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 THR N 105.50 159.00 138.76 158.52 151.99 . . 0 "[ . 1 . 2]"
95 . 1 51 GLN C 1 52 THR N 1 52 THR CA 1 52 THR C -109.40 -42.00 -70.78 -83.98 -58.56 . . 0 "[ . 1 . 2]"
96 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 PRO N 112.40 152.40 126.60 116.23 134.29 . . 0 "[ . 1 . 2]"
97 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 PRO N 157.50 167.50 154.69 156.80 156.26 6.18 6 4 "[ *.+ - * 2]"
98 . 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 GLY N -70.00 -50.00 -47.29 -45.54 -46.40 5.88 6 3 "[ .+* - . 2]"
99 . 1 58 ARG C 1 59 SER N 1 59 SER CA 1 59 SER C -83.90 -43.90 -60.17 -63.95 -54.73 . . 0 "[ . 1 . 2]"
100 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 ILE N -56.90 -16.90 -43.18 -45.24 -47.39 . . 0 "[ . 1 . 2]"
101 . 1 59 SER C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -89.40 -49.40 -65.35 -59.81 -60.28 . . 0 "[ . 1 . 2]"
102 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 GLN N -56.30 -16.30 -40.88 -48.79 -23.74 . . 0 "[ . 1 . 2]"
103 . 1 60 ILE C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -84.40 -44.40 -61.54 -70.97 -57.18 . . 0 "[ . 1 . 2]"
104 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 ASP N -62.80 -22.80 -39.85 -42.71 -45.63 . . 0 "[ . 1 . 2]"
105 . 1 61 GLN C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -86.30 -46.30 -69.21 -71.56 -72.77 . . 0 "[ . 1 . 2]"
106 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 MET N -56.80 -16.80 -41.54 -50.34 -32.81 . . 0 "[ . 1 . 2]"
107 . 1 62 ASP C 1 63 MET N 1 63 MET CA 1 63 MET C -87.90 -47.90 -67.01 -71.51 -74.48 . . 0 "[ . 1 . 2]"
108 . 1 63 MET N 1 63 MET CA 1 63 MET C 1 64 VAL N -61.50 -21.50 -49.38 -41.58 -41.82 . . 0 "[ . 1 . 2]"
109 . 1 63 MET C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -83.70 -43.70 -61.43 -67.90 -54.72 . . 0 "[ . 1 . 2]"
110 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 ALA N -62.80 -22.80 -57.14 -64.59 -49.44 1.79 16 0 "[ . 1 . 2]"
111 . 1 64 VAL C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -85.70 -45.70 -63.02 -69.14 -59.14 . . 0 "[ . 1 . 2]"
112 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 GLY N -55.90 -15.90 -32.08 -29.81 -32.33 . . 0 "[ . 1 . 2]"
113 . 1 65 ALA C 1 66 GLY N 1 66 GLY CA 1 66 GLY C -84.40 -44.40 -63.98 -69.23 -56.34 . . 0 "[ . 1 . 2]"
114 . 1 66 GLY N 1 66 GLY CA 1 66 GLY C 1 67 TYR N -60.60 -20.60 -41.08 -54.01 -37.17 . . 0 "[ . 1 . 2]"
115 . 1 66 GLY C 1 67 TYR N 1 67 TYR CA 1 67 TYR C -86.20 -46.20 -72.78 -72.58 -74.72 . . 0 "[ . 1 . 2]"
116 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 ILE N -60.20 -20.20 -34.96 -42.60 -23.17 . . 0 "[ . 1 . 2]"
117 . 1 67 TYR C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -84.40 -44.40 -61.96 -58.44 -59.34 . . 0 "[ . 1 . 2]"
118 . 1 68 ILE N 1 68 ILE CA 1 68 ILE C 1 69 LYS N -63.30 -23.30 -50.80 -53.68 -56.13 . . 0 "[ . 1 . 2]"
119 . 1 68 ILE C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -83.40 -43.40 -56.18 -61.02 -52.11 . . 0 "[ . 1 . 2]"
120 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 GLN N -61.10 -21.10 -45.88 -49.07 -38.24 . . 0 "[ . 1 . 2]"
121 . 1 69 LYS C 1 70 GLN N 1 70 GLN CA 1 70 GLN C -85.30 -45.30 -58.81 -58.25 -58.91 . . 0 "[ . 1 . 2]"
122 . 1 70 GLN N 1 70 GLN CA 1 70 GLN C 1 71 THR N -59.00 -19.00 -47.83 -51.11 -52.39 . . 0 "[ . 1 . 2]"
123 . 1 70 GLN C 1 71 THR N 1 71 THR CA 1 71 THR C -83.90 -43.90 -75.54 -79.66 -60.59 . . 0 "[ . 1 . 2]"
124 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 LEU N -63.90 -23.90 -24.71 -23.74 -25.47 5.16 4 1 "[ +. 1 . 2]"
125 . 1 71 THR C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -85.60 -45.60 -68.51 -79.74 -61.21 . . 0 "[ . 1 . 2]"
126 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 ASP N -62.70 -22.70 -42.66 -41.36 -50.94 . . 0 "[ . 1 . 2]"
127 . 1 72 LEU C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -83.50 -43.50 -66.19 -65.71 -66.88 . . 0 "[ . 1 . 2]"
128 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 ASN N -61.20 -21.20 -50.97 -61.89 -38.44 0.69 10 0 "[ . 1 . 2]"
129 . 1 73 ASP C 1 74 ASN N 1 74 ASN CA 1 74 ASN C -87.00 -47.00 -58.02 -63.43 -51.87 . . 0 "[ . 1 . 2]"
130 . 1 74 ASN N 1 74 ASN CA 1 74 ASN C 1 75 GLU N -57.20 -17.20 -49.27 -45.22 -49.57 0.68 9 0 "[ . 1 . 2]"
131 . 1 74 ASN C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -84.90 -44.90 -66.29 -66.47 -70.08 . . 0 "[ . 1 . 2]"
132 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 GLN N -59.60 -19.60 -40.16 -61.64 -15.40 4.20 5 0 "[ . 1 . 2]"
133 . 1 75 GLU C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -84.20 -44.20 -65.58 -63.50 -64.22 . . 0 "[ . 1 . 2]"
134 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 LEU N -60.80 -20.80 -39.46 -48.85 -26.10 . . 0 "[ . 1 . 2]"
135 . 1 76 GLN C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -85.80 -45.80 -65.58 -72.23 -59.58 . . 0 "[ . 1 . 2]"
136 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 LEU N -61.20 -21.20 -42.34 -57.13 -30.56 . . 0 "[ . 1 . 2]"
137 . 1 80 GLY C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -86.10 -46.10 -73.52 -86.16 -62.13 0.06 17 0 "[ . 1 . 2]"
138 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 LEU N -63.00 -23.00 -44.25 -44.79 -47.13 1.26 10 0 "[ . 1 . 2]"
139 . 1 81 LEU C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -84.50 -44.50 -70.26 -87.30 -56.77 2.80 17 0 "[ . 1 . 2]"
140 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 GLN N -63.10 -23.10 -55.04 -52.80 -62.69 6.44 7 1 "[ . + 1 . 2]"
141 . 1 97 THR C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -88.30 -48.30 -56.76 -53.57 -56.42 2.32 14 0 "[ . 1 . 2]"
142 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 GLN N -54.80 -14.80 -51.33 -61.97 -13.26 7.17 8 2 "[ . + 1 - . 2]"
143 . 1 98 ARG C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -88.30 -48.30 -65.76 -83.66 -55.66 . . 0 "[ . 1 . 2]"
144 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 LYS N -54.80 -14.80 -45.36 -47.00 -50.15 0.78 9 0 "[ . 1 . 2]"
145 . 1 99 GLN C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -88.30 -48.30 -65.05 -72.75 -56.50 . . 0 "[ . 1 . 2]"
146 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 SER N -54.80 -14.80 -45.32 -42.99 -45.41 0.81 12 0 "[ . 1 . 2]"
147 . 1 100 LYS C 1 101 SER N 1 101 SER CA 1 101 SER C -88.30 -48.30 -70.03 -78.33 -57.48 . . 0 "[ . 1 . 2]"
148 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 LEU N -54.80 -14.80 -40.62 -40.24 -41.29 2.12 13 0 "[ . 1 . 2]"
149 . 1 101 SER C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -88.30 -48.30 -76.15 -72.38 -74.56 . . 0 "[ . 1 . 2]"
150 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ASN N -54.80 -14.80 -34.83 -48.26 -23.73 . . 0 "[ . 1 . 2]"
151 . 1 102 LEU C 1 103 ASN N 1 103 ASN CA 1 103 ASN C -88.30 -48.30 -69.90 -71.01 -72.46 . . 0 "[ . 1 . 2]"
152 . 1 103 ASN N 1 103 ASN CA 1 103 ASN C 1 104 ASN N -54.80 -14.80 -37.23 -41.35 -41.87 . . 0 "[ . 1 . 2]"
153 . 1 103 ASN C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -88.30 -48.30 -67.81 -74.47 -59.71 . . 0 "[ . 1 . 2]"
154 . 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 ALA N -54.80 -14.80 -39.51 -41.28 -43.68 . . 0 "[ . 1 . 2]"
155 . 1 104 ASN C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -88.30 -48.30 -60.89 -59.41 -59.62 . . 0 "[ . 1 . 2]"
156 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 TYR N -54.80 -14.80 -41.83 -49.59 -31.36 . . 0 "[ . 1 . 2]"
157 . 1 105 ALA C 1 106 TYR N 1 106 TYR CA 1 106 TYR C -88.30 -48.30 -61.89 -59.47 -60.71 . . 0 "[ . 1 . 2]"
158 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C 1 107 GLY N -54.80 -14.80 -50.44 -58.32 -42.03 3.52 19 0 "[ . 1 . 2]"
159 . 1 106 TYR C 1 107 GLY N 1 107 GLY CA 1 107 GLY C -88.30 -48.30 -62.39 -69.00 -53.19 . . 0 "[ . 1 . 2]"
160 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 ARG N -54.80 -14.80 -39.80 -55.01 -30.30 0.21 13 0 "[ . 1 . 2]"
161 . 1 107 GLY C 1 108 ARG N 1 108 ARG CA 1 108 ARG C -88.30 -48.30 -72.96 -69.13 -70.20 . . 0 "[ . 1 . 2]"
162 . 1 108 ARG N 1 108 ARG CA 1 108 ARG C 1 109 LEU N -54.80 -14.80 -32.51 -36.42 -37.93 0.27 16 0 "[ . 1 . 2]"
163 . 1 108 ARG C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -88.30 -48.30 -67.13 -64.17 -65.91 . . 0 "[ . 1 . 2]"
164 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 SER N -54.80 -14.80 -40.64 -55.10 -28.27 0.30 8 0 "[ . 1 . 2]"
165 . 1 109 LEU C 1 110 SER N 1 110 SER CA 1 110 SER C -88.30 -48.30 -70.81 -72.81 -76.03 . . 0 "[ . 1 . 2]"
166 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 GLY N -54.80 -14.80 -37.13 -48.75 -18.05 . . 0 "[ . 1 . 2]"
167 . 1 110 SER C 1 111 GLY N 1 111 GLY CA 1 111 GLY C -88.30 -48.30 -86.93 -91.20 -73.01 2.90 2 0 "[ . 1 . 2]"
168 . 1 111 GLY N 1 111 GLY CA 1 111 GLY C 1 112 MET N -54.80 -14.80 -63.92 -65.18 -66.18 13.45 19 19 "[****** ***-*******+*]"
169 . 1 111 GLY C 1 112 MET N 1 112 MET CA 1 112 MET C -88.30 -48.30 -95.55 -93.80 -94.50 11.02 18 15 "[* **** * *-**** +**]"
170 . 1 112 MET N 1 112 MET CA 1 112 MET C 1 113 LEU N -54.80 -14.80 -68.14 -72.89 -62.99 18.09 10 20 [*********+********-*]
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