NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412408 |
2b87   |
6806 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2b87
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 99
_TA_constraint_stats_list.Viol_count 914
_TA_constraint_stats_list.Viol_total 24912.04
_TA_constraint_stats_list.Viol_max 4.14
_TA_constraint_stats_list.Viol_rms 0.42
_TA_constraint_stats_list.Viol_average_all_restraints 0.16
_TA_constraint_stats_list.Viol_average_violations_only 0.68
_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 18 ASN HA 1 18 ASN CA 1 18 ASN CB 1 18 ASN HB3 -100.00 -20.00 -72.81 -101.52 -63.33 1.52 37 0 "[ . 1 . 2 . 3 . 4]"
2 . 1 21 ASN HA 1 21 ASN CA 1 21 ASN CB 1 21 ASN HB3 -100.00 -20.00 -63.60 -77.64 -24.09 . . 0 "[ . 1 . 2 . 3 . 4]"
3 . 1 22 LEU HA 1 22 LEU CA 1 22 LEU CB 1 22 LEU HB3 -100.00 -20.00 -60.20 -58.91 -59.11 . . 0 "[ . 1 . 2 . 3 . 4]"
4 . 1 34 LEU HA 1 34 LEU CA 1 34 LEU CB 1 34 LEU HB3 -100.00 -20.00 -101.43 -102.96 -100.29 2.96 40 0 "[ . 1 . 2 . 3 . 4]"
5 . 1 36 ASP HA 1 36 ASP CA 1 36 ASP CB 1 36 ASP HB3 140.00 -140.00 -172.94 -175.43 -166.19 . . 0 "[ . 1 . 2 . 3 . 4]"
6 . 1 55 GLN HA 1 55 GLN CA 1 55 GLN CB 1 55 GLN HB3 -100.00 -20.00 -73.76 -77.95 -71.26 . . 0 "[ . 1 . 2 . 3 . 4]"
7 . 1 58 LYS HA 1 58 LYS CA 1 58 LYS CB 1 58 LYS HB3 -100.00 -20.00 -66.30 -90.18 -51.61 . . 0 "[ . 1 . 2 . 3 . 4]"
8 . 1 3 ASN C 1 4 LYS N 1 4 LYS CA 1 4 LYS C -74.45 -53.75 -58.44 -64.94 -53.22 0.53 7 0 "[ . 1 . 2 . 3 . 4]"
9 . 1 4 LYS C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -67.34 -57.16 -60.87 -66.78 -56.76 0.40 22 0 "[ . 1 . 2 . 3 . 4]"
10 . 1 5 PHE C 1 6 ASN N 1 6 ASN CA 1 6 ASN C -73.86 -58.08 -65.47 -67.63 -60.73 . . 0 "[ . 1 . 2 . 3 . 4]"
11 . 1 6 ASN C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -73.97 -54.17 -61.29 -64.33 -58.45 . . 0 "[ . 1 . 2 . 3 . 4]"
12 . 1 7 LYS C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -72.27 -63.15 -71.31 -71.99 -72.37 1.25 35 0 "[ . 1 . 2 . 3 . 4]"
13 . 1 8 GLU C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -70.20 -60.30 -59.68 -60.92 -58.54 1.76 3 0 "[ . 1 . 2 . 3 . 4]"
14 . 1 9 LEU C 1 10 GLY N 1 10 GLY CA 1 10 GLY C -74.42 -59.12 -74.49 -75.47 -72.73 1.05 24 0 "[ . 1 . 2 . 3 . 4]"
15 . 1 10 GLY C 1 11 TRP N 1 11 TRP CA 1 11 TRP C -67.86 -55.02 -68.81 -68.55 -69.07 2.19 31 0 "[ . 1 . 2 . 3 . 4]"
16 . 1 11 TRP C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -66.44 -57.24 -57.63 -59.63 -56.76 0.48 12 0 "[ . 1 . 2 . 3 . 4]"
17 . 1 12 ALA C 1 13 THR N 1 13 THR CA 1 13 THR C -81.97 -57.35 -56.14 -55.99 -56.02 1.78 24 0 "[ . 1 . 2 . 3 . 4]"
18 . 1 13 THR C 1 14 TRP N 1 14 TRP CA 1 14 TRP C -69.06 -55.86 -65.22 -62.33 -63.38 . . 0 "[ . 1 . 2 . 3 . 4]"
19 . 1 14 TRP C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -71.67 -60.51 -61.24 -64.60 -60.18 0.33 39 0 "[ . 1 . 2 . 3 . 4]"
20 . 1 15 GLU C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -70.74 -62.52 -69.76 -68.34 -69.35 0.29 33 0 "[ . 1 . 2 . 3 . 4]"
21 . 1 16 ILE C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -78.20 -56.98 -64.03 -66.43 -59.28 . . 0 "[ . 1 . 2 . 3 . 4]"
22 . 1 17 PHE C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -109.88 -81.12 -89.69 -88.40 -88.84 . . 0 "[ . 1 . 2 . 3 . 4]"
23 . 1 18 ASN C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -93.11 -68.51 -69.36 -71.54 -66.96 1.55 26 0 "[ . 1 . 2 . 3 . 4]"
24 . 1 21 ASN C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -128.35 -66.43 -81.85 -89.68 -76.81 . . 0 "[ . 1 . 2 . 3 . 4]"
25 . 1 22 LEU C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -126.34 -68.88 -95.13 -100.96 -79.66 . . 0 "[ . 1 . 2 . 3 . 4]"
26 . 1 24 GLY C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -74.46 -59.50 -71.94 -74.01 -74.23 0.67 18 0 "[ . 1 . 2 . 3 . 4]"
27 . 1 25 VAL C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -68.98 -57.30 -61.19 -64.03 -56.95 0.35 3 0 "[ . 1 . 2 . 3 . 4]"
28 . 1 26 GLN C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -67.59 -62.09 -62.01 -62.88 -61.67 0.42 18 0 "[ . 1 . 2 . 3 . 4]"
29 . 1 27 VAL C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -65.89 -55.07 -61.71 -63.45 -60.22 . . 0 "[ . 1 . 2 . 3 . 4]"
30 . 1 28 LYS C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -71.08 -58.56 -70.48 -69.38 -69.54 0.48 23 0 "[ . 1 . 2 . 3 . 4]"
31 . 1 29 ALA C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -75.11 -59.81 -63.76 -65.50 -62.74 . . 0 "[ . 1 . 2 . 3 . 4]"
32 . 1 30 PHE C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -69.79 -55.23 -64.56 -63.91 -64.21 . . 0 "[ . 1 . 2 . 3 . 4]"
33 . 1 31 ILE C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -64.80 -57.02 -59.30 -64.08 -56.01 1.01 8 0 "[ . 1 . 2 . 3 . 4]"
34 . 1 32 ASP C 1 33 SER N 1 33 SER CA 1 33 SER C -72.65 -61.31 -66.55 -69.41 -64.36 . . 0 "[ . 1 . 2 . 3 . 4]"
35 . 1 33 SER C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -66.86 -59.12 -60.47 -60.81 -60.99 0.68 40 0 "[ . 1 . 2 . 3 . 4]"
36 . 1 34 LEU C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -68.37 -57.21 -59.94 -62.81 -57.44 . . 0 "[ . 1 . 2 . 3 . 4]"
37 . 1 35 ARG C 1 36 ASP N 1 36 ASP CA 1 36 ASP C -75.92 -58.56 -64.63 -68.65 -60.54 . . 0 "[ . 1 . 2 . 3 . 4]"
38 . 1 38 PRO C 1 39 SER N 1 39 SER CA 1 39 SER C -81.99 -55.01 -63.54 -63.17 -63.30 . . 0 "[ . 1 . 2 . 3 . 4]"
39 . 1 39 SER C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -112.66 -69.90 -86.19 -99.26 -80.43 . . 0 "[ . 1 . 2 . 3 . 4]"
40 . 1 40 GLN C 1 41 SER N 1 41 SER CA 1 41 SER C -65.23 -52.03 -49.50 -49.26 -49.45 4.14 21 0 "[ . 1 . 2 . 3 . 4]"
41 . 1 41 SER C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -73.08 -59.92 -66.07 -69.04 -63.70 . . 0 "[ . 1 . 2 . 3 . 4]"
42 . 1 42 ALA C 1 43 ASN N 1 43 ASN CA 1 43 ASN C -69.99 -61.53 -68.58 -68.05 -68.28 0.01 5 0 "[ . 1 . 2 . 3 . 4]"
43 . 1 43 ASN C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -74.15 -61.03 -73.74 -74.53 -71.62 0.38 5 0 "[ . 1 . 2 . 3 . 4]"
44 . 1 44 LEU C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -66.22 -57.02 -65.18 -63.75 -63.99 0.40 31 0 "[ . 1 . 2 . 3 . 4]"
45 . 1 45 LEU C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -68.65 -57.61 -65.40 -67.41 -63.89 . . 0 "[ . 1 . 2 . 3 . 4]"
46 . 1 46 ALA C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -72.93 -57.89 -62.96 -61.87 -61.91 . . 0 "[ . 1 . 2 . 3 . 4]"
47 . 1 47 GLU C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -69.83 -56.35 -67.22 -68.64 -65.11 . . 0 "[ . 1 . 2 . 3 . 4]"
48 . 1 48 ALA C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -70.99 -58.93 -59.74 -59.63 -59.68 0.35 30 0 "[ . 1 . 2 . 3 . 4]"
49 . 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -73.95 -61.51 -74.26 -72.72 -73.01 1.92 29 0 "[ . 1 . 2 . 3 . 4]"
50 . 1 50 LYS C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -69.25 -62.09 -69.88 -70.55 -69.41 1.30 17 0 "[ . 1 . 2 . 3 . 4]"
51 . 1 51 LEU C 1 52 ASN N 1 52 ASN CA 1 52 ASN C -69.10 -59.88 -63.52 -65.24 -61.30 . . 0 "[ . 1 . 2 . 3 . 4]"
52 . 1 52 ASN C 1 53 ASP N 1 53 ASP CA 1 53 ASP C -68.94 -59.08 -63.19 -64.61 -61.78 . . 0 "[ . 1 . 2 . 3 . 4]"
53 . 1 53 ASP C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -71.49 -60.37 -64.11 -68.29 -61.55 . . 0 "[ . 1 . 2 . 3 . 4]"
54 . 1 4 LYS N 1 4 LYS CA 1 4 LYS C 1 5 PHE N -47.66 -32.44 -44.75 -48.28 -40.08 0.62 13 0 "[ . 1 . 2 . 3 . 4]"
55 . 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 ASN N -49.71 -39.75 -40.78 -50.54 -38.77 0.98 35 0 "[ . 1 . 2 . 3 . 4]"
56 . 1 6 ASN N 1 6 ASN CA 1 6 ASN C 1 7 LYS N -44.52 -32.60 -44.59 -44.73 -44.77 1.59 37 0 "[ . 1 . 2 . 3 . 4]"
57 . 1 7 LYS N 1 7 LYS CA 1 7 LYS C 1 8 GLU N -46.91 -25.97 -42.03 -42.68 -42.91 . . 0 "[ . 1 . 2 . 3 . 4]"
58 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 LEU N -46.57 -32.95 -39.01 -45.63 -36.31 . . 0 "[ . 1 . 2 . 3 . 4]"
59 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 GLY N -52.02 -27.70 -40.35 -42.21 -37.41 . . 0 "[ . 1 . 2 . 3 . 4]"
60 . 1 10 GLY N 1 10 GLY CA 1 10 GLY C 1 11 TRP N -45.45 -30.13 -40.43 -37.91 -38.60 0.20 24 0 "[ . 1 . 2 . 3 . 4]"
61 . 1 11 TRP N 1 11 TRP CA 1 11 TRP C 1 12 ALA N -51.26 -36.18 -50.30 -51.72 -47.88 0.46 37 0 "[ . 1 . 2 . 3 . 4]"
62 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 THR N -48.76 -33.80 -38.08 -38.49 -38.64 . . 0 "[ . 1 . 2 . 3 . 4]"
63 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 TRP N -46.88 -32.96 -47.41 -48.31 -46.18 1.43 30 0 "[ . 1 . 2 . 3 . 4]"
64 . 1 14 TRP N 1 14 TRP CA 1 14 TRP C 1 15 GLU N -45.21 -32.19 -45.93 -46.78 -45.18 1.57 17 0 "[ . 1 . 2 . 3 . 4]"
65 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 ILE N -48.45 -33.37 -38.54 -41.96 -36.74 . . 0 "[ . 1 . 2 . 3 . 4]"
66 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 PHE N -52.26 -36.54 -37.59 -37.13 -37.28 0.43 24 0 "[ . 1 . 2 . 3 . 4]"
67 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 ASN N -49.22 -18.52 -37.60 -36.79 -36.98 . . 0 "[ . 1 . 2 . 3 . 4]"
68 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 LEU N -17.64 5.96 4.69 -1.48 7.71 1.75 26 0 "[ . 1 . 2 . 3 . 4]"
69 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 PRO N 82.44 150.26 135.27 132.95 132.80 . . 0 "[ . 1 . 2 . 3 . 4]"
70 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 ASN N 122.69 160.79 149.86 140.63 152.28 . . 0 "[ . 1 . 2 . 3 . 4]"
71 . 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 GLY N 149.75 172.55 162.58 164.75 164.66 0.14 26 0 "[ . 1 . 2 . 3 . 4]"
72 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 GLN N -49.48 -32.08 -47.56 -49.62 -41.91 0.14 23 0 "[ . 1 . 2 . 3 . 4]"
73 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 VAL N -48.74 -34.50 -43.97 -42.93 -43.10 . . 0 "[ . 1 . 2 . 3 . 4]"
74 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 LYS N -47.13 -40.87 -45.14 -45.40 -45.49 0.49 38 0 "[ . 1 . 2 . 3 . 4]"
75 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 ALA N -49.09 -36.47 -35.27 -34.78 -34.92 2.61 26 0 "[ . 1 . 2 . 3 . 4]"
76 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 PHE N -43.21 -30.27 -43.61 -44.35 -43.24 1.14 18 0 "[ . 1 . 2 . 3 . 4]"
77 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 ILE N -53.14 -35.54 -38.74 -40.81 -37.29 . . 0 "[ . 1 . 2 . 3 . 4]"
78 . 1 31 ILE N 1 31 ILE CA 1 31 ILE C 1 32 ASP N -51.98 -35.74 -46.66 -49.99 -42.36 . . 0 "[ . 1 . 2 . 3 . 4]"
79 . 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 SER N -44.55 -32.29 -41.30 -40.70 -40.96 0.17 6 0 "[ . 1 . 2 . 3 . 4]"
80 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 LEU N -49.77 -28.85 -37.43 -39.59 -33.65 . . 0 "[ . 1 . 2 . 3 . 4]"
81 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 ARG N -51.96 -41.30 -52.09 -51.74 -52.04 1.16 16 0 "[ . 1 . 2 . 3 . 4]"
82 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 ASP N -47.81 -35.65 -45.29 -45.17 -45.30 . . 0 "[ . 1 . 2 . 3 . 4]"
83 . 1 36 ASP N 1 36 ASP CA 1 36 ASP C 1 37 ASP N -39.21 -26.67 -36.88 -39.46 -33.50 0.25 35 0 "[ . 1 . 2 . 3 . 4]"
84 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 GLN N -34.69 -1.47 -27.83 -30.42 -30.50 . . 0 "[ . 1 . 2 . 3 . 4]"
85 . 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 SER N -27.83 26.65 -1.57 -0.44 -0.47 . . 0 "[ . 1 . 2 . 3 . 4]"
86 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 ALA N -46.72 -29.64 -38.69 -36.20 -37.02 . . 0 "[ . 1 . 2 . 3 . 4]"
87 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 ASN N -44.17 -25.59 -37.80 -40.85 -33.56 . . 0 "[ . 1 . 2 . 3 . 4]"
88 . 1 43 ASN N 1 43 ASN CA 1 43 ASN C 1 44 LEU N -54.04 -28.26 -35.13 -34.79 -34.81 . . 0 "[ . 1 . 2 . 3 . 4]"
89 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 LEU N -47.40 -28.16 -37.24 -37.83 -38.10 . . 0 "[ . 1 . 2 . 3 . 4]"
90 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 ALA N -48.12 -32.62 -37.71 -37.54 -37.70 . . 0 "[ . 1 . 2 . 3 . 4]"
91 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 GLU N -45.53 -33.23 -45.91 -46.50 -45.64 0.97 37 0 "[ . 1 . 2 . 3 . 4]"
92 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 ALA N -50.55 -34.31 -37.88 -38.48 -38.66 . . 0 "[ . 1 . 2 . 3 . 4]"
93 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 LYS N -47.78 -36.10 -46.89 -47.78 -47.83 0.84 17 0 "[ . 1 . 2 . 3 . 4]"
94 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -45.63 -31.53 -31.56 -33.28 -30.51 1.02 16 0 "[ . 1 . 2 . 3 . 4]"
95 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 LEU N -44.25 -23.87 -41.69 -43.44 -38.92 . . 0 "[ . 1 . 2 . 3 . 4]"
96 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 ASN N -46.53 -34.77 -42.21 -41.66 -42.06 . . 0 "[ . 1 . 2 . 3 . 4]"
97 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 ASP N -45.33 -39.13 -45.60 -45.87 -45.93 1.32 18 0 "[ . 1 . 2 . 3 . 4]"
98 . 1 53 ASP N 1 53 ASP CA 1 53 ASP C 1 54 ALA N -47.09 -29.65 -40.82 -40.41 -40.56 . . 0 "[ . 1 . 2 . 3 . 4]"
99 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 GLN N -37.91 -24.63 -38.22 -38.07 -38.12 0.50 30 0 "[ . 1 . 2 . 3 . 4]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 101
_TA_constraint_stats_list.Viol_count 1249
_TA_constraint_stats_list.Viol_total 54654.17
_TA_constraint_stats_list.Viol_max 5.09
_TA_constraint_stats_list.Viol_rms 0.73
_TA_constraint_stats_list.Viol_average_all_restraints 0.34
_TA_constraint_stats_list.Viol_average_violations_only 1.09
_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 . 2 4 LYS HA 2 4 LYS CA 2 4 LYS CB 2 4 LYS HB3 20.00 100.00 52.28 28.09 67.47 . . 0 "[ . 1 . 2 . 3 . 4]"
2 . 2 5 PHE HA 2 5 PHE CA 2 5 PHE CB 2 5 PHE HB3 -100.00 -20.00 -81.89 -77.48 -78.03 . . 0 "[ . 1 . 2 . 3 . 4]"
3 . 2 15 GLU HA 2 15 GLU CA 2 15 GLU CB 2 15 GLU HB3 140.00 -140.00 -159.58 -155.25 -156.11 . . 0 "[ . 1 . 2 . 3 . 4]"
4 . 2 19 LEU HA 2 19 LEU CA 2 19 LEU CB 2 19 LEU HB3 -100.00 -20.00 -63.69 -72.10 -57.67 . . 0 "[ . 1 . 2 . 3 . 4]"
5 . 2 22 LEU HA 2 22 LEU CA 2 22 LEU CB 2 22 LEU HB3 -100.00 -20.00 -63.15 -59.37 -60.26 . . 0 "[ . 1 . 2 . 3 . 4]"
6 . 2 23 ASN HA 2 23 ASN CA 2 23 ASN CB 2 23 ASN HB3 140.00 -140.00 143.23 175.78 144.00 4.42 33 0 "[ . 1 . 2 . 3 . 4]"
7 . 2 5 PHE HA 2 25 LEU CA 2 25 LEU CB 2 25 LEU HB3 -100.00 -20.00 -30.69 -23.76 -27.28 1.52 2 0 "[ . 1 . 2 . 3 . 4]"
8 . 2 26 GLN HA 2 26 GLN CA 2 26 GLN CB 2 26 GLN HB3 -100.00 -20.00 -89.38 -90.79 -92.93 3.35 33 0 "[ . 1 . 2 . 3 . 4]"
9 . 2 30 PHE HA 2 30 PHE CA 2 30 PHE CB 2 30 PHE HB3 -100.00 -20.00 -65.76 -65.52 -65.65 . . 0 "[ . 1 . 2 . 3 . 4]"
10 . 2 33 SER HA 2 33 SER CA 2 33 SER CB 2 33 SER HB3 -100.00 -20.00 -85.59 -83.80 -84.58 . . 0 "[ . 1 . 2 . 3 . 4]"
11 . 2 37 ASP HA 2 37 ASP CA 2 37 ASP CB 2 37 ASP HB3 -100.00 -20.00 -80.45 -19.47 -41.22 2.70 32 0 "[ . 1 . 2 . 3 . 4]"
12 . 2 40 GLN HA 2 40 GLN CA 2 40 GLN CB 2 40 GLN HB3 -100.00 -20.00 -19.69 -18.69 -18.74 3.23 36 0 "[ . 1 . 2 . 3 . 4]"
13 . 2 55 GLN HA 2 55 GLN CA 2 55 GLN CB 2 55 GLN HB3 -100.00 -20.00 -67.04 -67.86 -67.99 . . 0 "[ . 1 . 2 . 3 . 4]"
14 . 2 58 LYS HA 2 58 LYS CA 2 58 LYS CB 2 58 LYS HB3 -100.00 -20.00 -78.01 -94.48 -98.19 0.50 35 0 "[ . 1 . 2 . 3 . 4]"
15 . 2 1 VAL C 2 2 ASP N 2 2 ASP CA 2 2 ASP C -180.00 0.00 -87.32 -149.17 -58.06 . . 0 "[ . 1 . 2 . 3 . 4]"
16 . 2 2 ASP C 2 3 ASN N 2 3 ASN CA 2 3 ASN C -180.00 0.00 -94.66 -96.47 -151.00 . . 0 "[ . 1 . 2 . 3 . 4]"
17 . 2 3 ASN C 2 4 LYS N 2 4 LYS CA 2 4 LYS C -85.47 -51.43 -61.56 -74.99 -50.97 0.46 27 0 "[ . 1 . 2 . 3 . 4]"
18 . 2 5 PHE C 2 6 ASN N 2 6 ASN CA 2 6 ASN C -69.26 -54.26 -56.87 -62.88 -53.74 0.52 7 0 "[ . 1 . 2 . 3 . 4]"
19 . 2 6 ASN C 2 7 LYS N 2 7 LYS CA 2 7 LYS C -73.26 -53.76 -65.66 -66.29 -67.02 3.02 17 0 "[ . 1 . 2 . 3 . 4]"
20 . 2 7 LYS C 2 8 GLU N 2 8 GLU CA 2 8 GLU C -72.12 -60.48 -66.52 -73.93 -61.06 1.81 30 0 "[ . 1 . 2 . 3 . 4]"
21 . 2 8 GLU C 2 9 ARG N 2 9 ARG CA 2 9 ARG C -78.24 -62.64 -65.25 -72.90 -61.10 1.54 17 0 "[ . 1 . 2 . 3 . 4]"
22 . 2 9 ARG C 2 10 VAL N 2 10 VAL CA 2 10 VAL C -67.60 -59.22 -58.98 -59.43 -59.79 2.96 17 0 "[ . 1 . 2 . 3 . 4]"
23 . 2 10 VAL C 2 11 ILE N 2 11 ILE CA 2 11 ILE C -69.67 -59.35 -66.75 -70.43 -59.85 0.76 30 0 "[ . 1 . 2 . 3 . 4]"
24 . 2 11 ILE C 2 12 ALA N 2 12 ALA CA 2 12 ALA C -70.65 -57.99 -65.43 -69.19 -62.00 . . 0 "[ . 1 . 2 . 3 . 4]"
25 . 2 12 ALA C 2 13 ILE N 2 13 ILE CA 2 13 ILE C -73.38 -59.32 -56.95 -57.33 -56.39 2.93 5 0 "[ . 1 . 2 . 3 . 4]"
26 . 2 13 ILE C 2 14 GLY N 2 14 GLY CA 2 14 GLY C -70.21 -56.61 -62.87 -70.54 -55.85 0.76 38 0 "[ . 1 . 2 . 3 . 4]"
27 . 2 14 GLY C 2 15 GLU N 2 15 GLU CA 2 15 GLU C -70.07 -64.39 -66.11 -64.27 -64.65 1.26 28 0 "[ . 1 . 2 . 3 . 4]"
28 . 2 15 GLU C 2 16 ILE N 2 16 ILE CA 2 16 ILE C -68.26 -60.10 -58.10 -58.11 -58.27 3.00 31 0 "[ . 1 . 2 . 3 . 4]"
29 . 2 16 ILE C 2 17 MET N 2 17 MET CA 2 17 MET C -72.14 -55.80 -60.85 -64.28 -57.20 . . 0 "[ . 1 . 2 . 3 . 4]"
30 . 2 21 ASN C 2 22 LEU N 2 22 LEU CA 2 22 LEU C -123.41 -61.71 -71.78 -70.63 -70.89 0.59 25 0 "[ . 1 . 2 . 3 . 4]"
31 . 2 22 LEU C 2 23 ASN N 2 23 ASN CA 2 23 ASN C -132.40 -70.94 -86.56 -97.39 -70.88 0.06 25 0 "[ . 1 . 2 . 3 . 4]"
32 . 2 23 ASN C 2 24 SER N 2 24 SER CA 2 24 SER C -69.35 -53.73 -59.20 -60.07 -60.17 . . 0 "[ . 1 . 2 . 3 . 4]"
33 . 2 24 SER C 2 25 LEU N 2 25 LEU CA 2 25 LEU C -69.96 -57.88 -69.82 -70.97 -67.41 1.01 5 0 "[ . 1 . 2 . 3 . 4]"
34 . 2 25 LEU C 2 26 GLN N 2 26 GLN CA 2 26 GLN C -76.49 -65.13 -64.17 -64.26 -64.31 1.47 18 0 "[ . 1 . 2 . 3 . 4]"
35 . 2 26 GLN C 2 27 VAL N 2 27 VAL CA 2 27 VAL C -70.31 -59.71 -64.39 -65.57 -61.94 . . 0 "[ . 1 . 2 . 3 . 4]"
36 . 2 27 VAL C 2 28 VAL N 2 28 VAL CA 2 28 VAL C -68.08 -60.72 -60.97 -64.15 -59.85 0.87 26 0 "[ . 1 . 2 . 3 . 4]"
37 . 2 28 VAL C 2 29 ALA N 2 29 ALA CA 2 29 ALA C -65.31 -56.05 -59.57 -61.23 -57.85 . . 0 "[ . 1 . 2 . 3 . 4]"
38 . 2 29 ALA C 2 30 PHE N 2 30 PHE CA 2 30 PHE C -77.13 -63.23 -72.89 -74.72 -69.71 . . 0 "[ . 1 . 2 . 3 . 4]"
39 . 2 30 PHE C 2 31 ILE N 2 31 ILE CA 2 31 ILE C -71.14 -59.56 -58.41 -57.75 -57.89 2.03 20 0 "[ . 1 . 2 . 3 . 4]"
40 . 2 31 ILE C 2 32 ASN N 2 32 ASN CA 2 32 ASN C -62.65 -56.63 -59.73 -63.38 -57.27 0.73 5 0 "[ . 1 . 2 . 3 . 4]"
41 . 2 32 ASN C 2 33 SER N 2 33 SER CA 2 33 SER C -78.75 -64.69 -75.95 -78.98 -64.86 0.23 34 0 "[ . 1 . 2 . 3 . 4]"
42 . 2 33 SER C 2 34 LEU N 2 34 LEU CA 2 34 LEU C -74.33 -64.07 -63.37 -62.62 -62.88 1.92 22 0 "[ . 1 . 2 . 3 . 4]"
43 . 2 34 LEU C 2 35 ARG N 2 35 ARG CA 2 35 ARG C -65.56 -57.42 -58.87 -64.85 -56.41 1.01 39 0 "[ . 1 . 2 . 3 . 4]"
44 . 2 35 ARG C 2 36 ASP N 2 36 ASP CA 2 36 ASP C -78.69 -54.37 -63.26 -63.30 -63.87 . . 0 "[ . 1 . 2 . 3 . 4]"
45 . 2 40 GLN C 2 41 SER N 2 41 SER CA 2 41 SER C -66.01 -54.53 -55.00 -54.37 -54.40 0.35 25 0 "[ . 1 . 2 . 3 . 4]"
46 . 2 41 SER C 2 42 ALA N 2 42 ALA CA 2 42 ALA C -72.79 -57.37 -72.96 -73.66 -71.13 0.87 14 0 "[ . 1 . 2 . 3 . 4]"
47 . 2 42 ALA C 2 43 ASN N 2 43 ASN CA 2 43 ASN C -69.81 -61.99 -70.58 -71.07 -70.07 1.26 23 0 "[ . 1 . 2 . 3 . 4]"
48 . 2 43 ASN C 2 44 LEU N 2 44 LEU CA 2 44 LEU C -74.51 -58.97 -74.37 -73.18 -73.73 1.13 10 0 "[ . 1 . 2 . 3 . 4]"
49 . 2 44 LEU C 2 45 LEU N 2 45 LEU CA 2 45 LEU C -65.94 -57.14 -64.38 -66.60 -60.69 0.66 2 0 "[ . 1 . 2 . 3 . 4]"
50 . 2 45 LEU C 2 46 ALA N 2 46 ALA CA 2 46 ALA C -68.65 -57.61 -62.82 -59.91 -61.83 . . 0 "[ . 1 . 2 . 3 . 4]"
51 . 2 46 ALA C 2 47 GLU N 2 47 GLU CA 2 47 GLU C -72.50 -57.50 -61.99 -65.11 -58.99 . . 0 "[ . 1 . 2 . 3 . 4]"
52 . 2 47 GLU C 2 48 ALA N 2 48 ALA CA 2 48 ALA C -75.49 -56.97 -72.68 -75.40 -70.41 . . 0 "[ . 1 . 2 . 3 . 4]"
53 . 2 48 ALA C 2 49 LYS N 2 49 LYS CA 2 49 LYS C -71.12 -59.02 -62.65 -63.39 -63.81 . . 0 "[ . 1 . 2 . 3 . 4]"
54 . 2 49 LYS C 2 50 LYS N 2 50 LYS CA 2 50 LYS C -70.54 -62.12 -69.90 -70.92 -71.01 1.07 25 0 "[ . 1 . 2 . 3 . 4]"
55 . 2 50 LYS C 2 51 LEU N 2 51 LEU CA 2 51 LEU C -70.70 -62.18 -68.58 -68.07 -68.29 . . 0 "[ . 1 . 2 . 3 . 4]"
56 . 2 51 LEU C 2 52 ASN N 2 52 ASN CA 2 52 ASN C -69.10 -59.88 -60.92 -62.08 -59.26 0.62 1 0 "[ . 1 . 2 . 3 . 4]"
57 . 2 52 ASN C 2 53 ASP N 2 53 ASP CA 2 53 ASP C -68.11 -60.17 -66.08 -67.55 -62.68 . . 0 "[ . 1 . 2 . 3 . 4]"
58 . 2 53 ASP C 2 54 ALA N 2 54 ALA CA 2 54 ALA C -71.49 -60.37 -65.71 -71.71 -62.50 0.22 25 0 "[ . 1 . 2 . 3 . 4]"
59 . 2 4 LYS N 2 4 LYS CA 2 4 LYS C 2 5 PHE N -51.40 -8.26 -17.68 -8.73 -9.83 0.44 17 0 "[ . 1 . 2 . 3 . 4]"
60 . 2 6 ASN N 2 6 ASN CA 2 6 ASN C 2 7 LYS N -47.97 -32.05 -44.00 -48.48 -35.73 0.51 11 0 "[ . 1 . 2 . 3 . 4]"
61 . 2 7 LYS N 2 7 LYS CA 2 7 LYS C 2 8 GLU N -48.51 -35.13 -44.85 -46.24 -46.89 0.31 7 0 "[ . 1 . 2 . 3 . 4]"
62 . 2 8 GLU N 2 8 GLU CA 2 8 GLU C 2 9 ARG N -48.69 -28.29 -35.08 -34.96 -35.44 0.08 29 0 "[ . 1 . 2 . 3 . 4]"
63 . 2 9 ARG N 2 9 ARG CA 2 9 ARG C 2 10 VAL N -48.06 -33.56 -43.97 -40.49 -40.90 0.62 20 0 "[ . 1 . 2 . 3 . 4]"
64 . 2 10 VAL N 2 10 VAL CA 2 10 VAL C 2 11 ILE N -47.56 -38.96 -37.99 -40.12 -35.81 3.15 17 0 "[ . 1 . 2 . 3 . 4]"
65 . 2 11 ILE N 2 11 ILE CA 2 11 ILE C 2 12 ALA N -51.11 -39.61 -39.82 -40.23 -40.56 1.41 13 0 "[ . 1 . 2 . 3 . 4]"
66 . 2 12 ALA N 2 12 ALA CA 2 12 ALA C 2 13 ILE N -46.84 -37.66 -45.29 -43.99 -44.61 2.59 37 0 "[ . 1 . 2 . 3 . 4]"
67 . 2 13 ILE N 2 13 ILE CA 2 13 ILE C 2 14 GLY N -48.11 -32.77 -42.09 -46.27 -47.04 0.82 14 0 "[ . 1 . 2 . 3 . 4]"
68 . 2 14 GLY N 2 14 GLY CA 2 14 GLY C 2 15 GLU N -45.33 -32.31 -40.66 -40.93 -41.16 0.11 37 0 "[ . 1 . 2 . 3 . 4]"
69 . 2 15 GLU N 2 15 GLU CA 2 15 GLU C 2 16 ILE N -43.97 -32.53 -42.41 -44.87 -38.54 0.90 7 0 "[ . 1 . 2 . 3 . 4]"
70 . 2 16 ILE N 2 16 ILE CA 2 16 ILE C 2 17 MET N -50.26 -38.60 -50.28 -49.72 -49.97 2.01 35 0 "[ . 1 . 2 . 3 . 4]"
71 . 2 17 MET N 2 17 MET CA 2 17 MET C 2 18 ARG N -34.73 -21.95 -31.34 -35.19 -23.80 0.46 11 0 "[ . 1 . 2 . 3 . 4]"
72 . 2 22 LEU N 2 22 LEU CA 2 22 LEU C 2 23 ASN N 126.71 165.29 154.43 153.69 153.01 . . 0 "[ . 1 . 2 . 3 . 4]"
73 . 2 23 ASN N 2 23 ASN CA 2 23 ASN C 2 24 SER N 158.11 170.23 155.36 155.34 155.23 3.92 7 0 "[ . 1 . 2 . 3 . 4]"
74 . 2 24 SER N 2 24 SER CA 2 24 SER C 2 25 LEU N -43.46 -31.74 -43.30 -45.24 -40.63 1.78 34 0 "[ . 1 . 2 . 3 . 4]"
75 . 2 25 LEU N 2 25 LEU CA 2 25 LEU C 2 26 GLN N -45.21 -29.65 -36.45 -39.39 -32.86 . . 0 "[ . 1 . 2 . 3 . 4]"
76 . 2 26 GLN N 2 26 GLN CA 2 26 GLN C 2 27 VAL N -43.86 -29.90 -40.04 -43.90 -37.07 0.04 29 0 "[ . 1 . 2 . 3 . 4]"
77 . 2 27 VAL N 2 27 VAL CA 2 27 VAL C 2 28 VAL N -46.49 -40.97 -44.27 -46.63 -41.30 0.14 20 0 "[ . 1 . 2 . 3 . 4]"
78 . 2 28 VAL N 2 28 VAL CA 2 28 VAL C 2 29 ALA N -50.07 -35.51 -34.08 -35.12 -33.20 2.31 17 0 "[ . 1 . 2 . 3 . 4]"
79 . 2 29 ALA N 2 29 ALA CA 2 29 ALA C 2 30 PHE N -44.46 -32.88 -44.93 -44.88 -44.96 1.37 3 0 "[ . 1 . 2 . 3 . 4]"
80 . 2 30 PHE N 2 30 PHE CA 2 30 PHE C 2 31 ILE N -48.56 -31.24 -44.52 -46.39 -39.89 . . 0 "[ . 1 . 2 . 3 . 4]"
81 . 2 31 ILE N 2 31 ILE CA 2 31 ILE C 2 32 ASN N -48.45 -40.11 -46.99 -45.76 -46.02 0.70 31 0 "[ . 1 . 2 . 3 . 4]"
82 . 2 32 ASN N 2 32 ASN CA 2 32 ASN C 2 33 SER N -48.25 -29.39 -30.51 -34.40 -28.94 0.45 5 0 "[ . 1 . 2 . 3 . 4]"
83 . 2 33 SER N 2 33 SER CA 2 33 SER C 2 34 LEU N -45.72 -30.70 -29.45 -28.48 -28.53 2.63 22 0 "[ . 1 . 2 . 3 . 4]"
84 . 2 34 LEU N 2 34 LEU CA 2 34 LEU C 2 35 ARG N -45.63 -26.25 -42.77 -42.81 -43.17 0.28 5 0 "[ . 1 . 2 . 3 . 4]"
85 . 2 35 ARG N 2 35 ARG CA 2 35 ARG C 2 36 ASP N -47.82 -32.40 -45.69 -48.63 -41.96 0.81 17 0 "[ . 1 . 2 . 3 . 4]"
86 . 2 36 ASP N 2 36 ASP CA 2 36 ASP C 2 37 ASP N -40.37 -22.63 -38.51 -38.13 -38.25 0.44 26 0 "[ . 1 . 2 . 3 . 4]"
87 . 2 41 SER N 2 41 SER CA 2 41 SER C 2 42 ALA N -46.54 -29.86 -32.88 -31.96 -32.03 . . 0 "[ . 1 . 2 . 3 . 4]"
88 . 2 42 ALA N 2 42 ALA CA 2 42 ALA C 2 43 ASN N -47.74 -25.98 -26.61 -26.11 -26.18 0.17 24 0 "[ . 1 . 2 . 3 . 4]"
89 . 2 43 ASN N 2 43 ASN CA 2 43 ASN C 2 44 LEU N -52.08 -27.24 -53.65 -54.56 -52.92 2.48 5 0 "[ . 1 . 2 . 3 . 4]"
90 . 2 44 LEU N 2 44 LEU CA 2 44 LEU C 2 45 LEU N -47.47 -28.17 -26.61 -27.54 -25.85 2.32 13 0 "[ . 1 . 2 . 3 . 4]"
91 . 2 45 LEU N 2 45 LEU CA 2 45 LEU C 2 46 ALA N -47.22 -32.66 -36.69 -39.14 -34.92 . . 0 "[ . 1 . 2 . 3 . 4]"
92 . 2 46 ALA N 2 46 ALA CA 2 46 ALA C 2 47 GLU N -45.53 -33.23 -43.40 -43.19 -43.46 . . 0 "[ . 1 . 2 . 3 . 4]"
93 . 2 47 GLU N 2 47 GLU CA 2 47 GLU C 2 48 ALA N -50.69 -34.31 -32.97 -32.65 -32.92 3.31 28 0 "[ . 1 . 2 . 3 . 4]"
94 . 2 48 ALA N 2 48 ALA CA 2 48 ALA C 2 49 LYS N -45.43 -36.05 -48.72 -49.81 -47.56 4.38 5 0 "[ . 1 . 2 . 3 . 4]"
95 . 2 49 LYS N 2 49 LYS CA 2 49 LYS C 2 50 LYS N -45.65 -31.57 -33.87 -38.15 -30.21 1.36 24 0 "[ . 1 . 2 . 3 . 4]"
96 . 2 50 LYS N 2 50 LYS CA 2 50 LYS C 2 51 LEU N -46.85 -24.79 -39.35 -41.80 -37.25 . . 0 "[ . 1 . 2 . 3 . 4]"
97 . 2 51 LEU N 2 51 LEU CA 2 51 LEU C 2 52 ASN N -44.49 -34.47 -40.55 -41.76 -38.19 . . 0 "[ . 1 . 2 . 3 . 4]"
98 . 2 52 ASN N 2 52 ASN CA 2 52 ASN C 2 53 ASP N -45.33 -39.13 -41.07 -42.26 -43.63 0.35 15 0 "[ . 1 . 2 . 3 . 4]"
99 . 2 53 ASP N 2 53 ASP CA 2 53 ASP C 2 54 ALA N -46.35 -35.97 -35.91 -35.97 -36.31 0.70 39 0 "[ . 1 . 2 . 3 . 4]"
100 . 2 54 ALA N 2 54 ALA CA 2 54 ALA C 2 55 GLN N -37.91 -24.63 -38.89 -38.69 -38.71 1.76 25 0 "[ . 1 . 2 . 3 . 4]"
101 . 2 18 ARG HA 2 18 ARG CA 2 18 ARG CB 2 18 ARG HB3 -100.00 -20.00 -79.12 -69.35 -70.72 5.09 40 1 "[ . 1 . 2 . 3 . +]"
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