NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431011 |
2jp9   |
15532 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jp9
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 104
_TA_constraint_stats_list.Viol_count 740
_TA_constraint_stats_list.Viol_total 7019.79
_TA_constraint_stats_list.Viol_max 18.87
_TA_constraint_stats_list.Viol_rms 0.82
_TA_constraint_stats_list.Viol_average_all_restraints 0.17
_TA_constraint_stats_list.Viol_average_violations_only 0.47
_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 PHI 3 7 PHE C 3 8 MET N 3 8 MET CA 3 8 MET C -135.80 -81.10 -130.49 -136.29 -136.39 0.86 14 0 "[ . 1 . 2]"
2 PSI 3 8 MET N 3 8 MET CA 3 8 MET C 3 9 CYS N 118.60 158.60 150.96 138.83 158.69 0.09 1 0 "[ . 1 . 2]"
3 PHI 3 16 LYS C 3 17 ARG N 3 17 ARG CA 3 17 ARG C -149.80 -98.80 -106.22 -123.37 -136.59 0.27 18 0 "[ . 1 . 2]"
4 PSI 3 17 ARG N 3 17 ARG CA 3 17 ARG C 3 18 TYR N 127.50 167.00 133.96 133.76 132.15 0.46 10 0 "[ . 1 . 2]"
5 PHI 3 17 ARG C 3 18 TYR N 3 18 TYR CA 3 18 TYR C -144.80 -91.00 -119.24 -119.91 -126.89 0.22 18 0 "[ . 1 . 2]"
6 PSI 3 18 TYR N 3 18 TYR CA 3 18 TYR C 3 19 PHE N 148.10 170.00 166.73 159.77 170.42 0.42 18 0 "[ . 1 . 2]"
7 PHI 3 21 LEU C 3 22 SER N 3 22 SER CA 3 22 SER C -67.80 -52.60 -68.07 -68.30 -67.87 0.50 12 0 "[ . 1 . 2]"
8 PSI 3 22 SER N 3 22 SER CA 3 22 SER C 3 23 HIS N -45.90 -36.10 -37.29 -46.51 -35.50 0.61 19 0 "[ . 1 . 2]"
9 PHI 3 22 SER C 3 23 HIS N 3 23 HIS CA 3 23 HIS C -78.50 -58.60 -68.94 -77.09 -59.41 . . 0 "[ . 1 . 2]"
10 PSI 3 23 HIS N 3 23 HIS CA 3 23 HIS C 3 24 LEU N -50.00 -29.50 -35.62 -45.18 -29.16 0.34 4 0 "[ . 1 . 2]"
11 PHI 3 23 HIS C 3 24 LEU N 3 24 LEU CA 3 24 LEU C -73.00 -61.70 -70.13 -64.42 -67.39 0.69 5 0 "[ . 1 . 2]"
12 PSI 3 24 LEU N 3 24 LEU CA 3 24 LEU C 3 25 GLN N -45.60 -32.50 -37.74 -35.34 -36.73 0.22 8 0 "[ . 1 . 2]"
13 PHI 3 24 LEU C 3 25 GLN N 3 25 GLN CA 3 25 GLN C -71.50 -58.30 -59.99 -65.57 -58.05 0.25 19 0 "[ . 1 . 2]"
14 PSI 3 25 GLN N 3 25 GLN CA 3 25 GLN C 3 26 MET N -48.50 -38.70 -42.19 -45.32 -47.20 0.23 19 0 "[ . 1 . 2]"
15 PHI 3 25 GLN C 3 26 MET N 3 26 MET CA 3 26 MET C -68.00 -55.10 -62.58 -57.97 -59.14 0.13 14 0 "[ . 1 . 2]"
16 PSI 3 26 MET N 3 26 MET CA 3 26 MET C 3 27 HIS N -49.70 -35.50 -44.16 -49.85 -38.51 0.15 16 0 "[ . 1 . 2]"
17 PHI 3 26 MET C 3 27 HIS N 3 27 HIS CA 3 27 HIS C -72.40 -58.40 -57.96 -58.22 -57.79 0.61 13 0 "[ . 1 . 2]"
18 PSI 3 27 HIS N 3 27 HIS CA 3 27 HIS C 3 28 SER N -45.30 -34.20 -40.77 -45.03 -33.98 0.22 16 0 "[ . 1 . 2]"
19 PHI 3 27 HIS C 3 28 SER N 3 28 SER CA 3 28 SER C -69.10 -59.70 -59.25 -60.97 -58.92 0.78 3 0 "[ . 1 . 2]"
20 PSI 3 28 SER N 3 28 SER CA 3 28 SER C 3 29 ARG N -47.60 -35.40 -33.31 -36.67 -38.06 8.62 10 5 "[ . + * * *-]"
21 PHI 3 28 SER C 3 29 ARG N 3 29 ARG CA 3 29 ARG C -65.30 -56.10 -56.29 -61.94 -55.32 0.78 20 0 "[ . 1 . 2]"
22 PSI 3 29 ARG N 3 29 ARG CA 3 29 ARG C 3 30 LYS N -47.80 -38.80 -38.36 -38.04 -38.12 0.85 13 0 "[ . 1 . 2]"
23 PHI 3 29 ARG C 3 30 LYS N 3 30 LYS CA 3 30 LYS C -71.80 -56.50 -57.29 -60.81 -56.17 0.33 1 0 "[ . 1 . 2]"
24 PSI 3 30 LYS N 3 30 LYS CA 3 30 LYS C 3 31 HIS N -47.40 -23.60 -35.13 -34.08 -35.03 . . 0 "[ . 1 . 2]"
25 PHI 3 30 LYS C 3 31 HIS N 3 31 HIS CA 3 31 HIS C -89.60 -52.20 -85.21 -89.90 -75.56 0.30 12 0 "[ . 1 . 2]"
26 PSI 3 31 HIS N 3 31 HIS CA 3 31 HIS C 3 32 THR N -42.60 -21.60 -22.32 -33.97 -2.73 18.87 15 3 "[ . * + -]"
27 PHI 3 37 TYR C 3 38 GLN N 3 38 GLN CA 3 38 GLN C -132.30 -88.10 -126.74 -132.95 -88.61 0.65 18 0 "[ . 1 . 2]"
28 PSI 3 38 GLN N 3 38 GLN CA 3 38 GLN C 3 39 CYS N 116.70 157.80 152.30 136.28 157.91 0.11 11 0 "[ . 1 . 2]"
29 PHI 3 46 ARG C 3 47 ARG N 3 47 ARG CA 3 47 ARG C -142.60 -89.20 -114.44 -113.11 -117.71 0.17 8 0 "[ . 1 . 2]"
30 PSI 3 47 ARG N 3 47 ARG CA 3 47 ARG C 3 48 PHE N 128.20 171.70 150.70 131.47 156.64 . . 0 "[ . 1 . 2]"
31 PHI 3 47 ARG C 3 48 PHE N 3 48 PHE CA 3 48 PHE C -140.30 -111.30 -136.00 -137.72 -138.50 0.09 14 0 "[ . 1 . 2]"
32 PSI 3 48 PHE N 3 48 PHE CA 3 48 PHE C 3 49 SER N 139.50 164.60 158.21 139.25 164.84 0.25 16 0 "[ . 1 . 2]"
33 PHI 3 50 ARG C 3 51 SER N 3 51 SER CA 3 51 SER C -75.10 -53.00 -59.07 -62.35 -55.99 . . 0 "[ . 1 . 2]"
34 PSI 3 51 SER N 3 51 SER CA 3 51 SER C 3 52 ASP N -44.50 -19.20 -41.54 -35.19 -36.84 0.13 3 0 "[ . 1 . 2]"
35 PHI 3 51 SER C 3 52 ASP N 3 52 ASP CA 3 52 ASP C -69.30 -55.60 -64.03 -67.85 -55.60 . . 0 "[ . 1 . 2]"
36 PSI 3 52 ASP N 3 52 ASP CA 3 52 ASP C 3 53 GLN N -42.60 -34.10 -37.40 -42.80 -33.91 0.20 17 0 "[ . 1 . 2]"
37 PHI 3 52 ASP C 3 53 GLN N 3 53 GLN CA 3 53 GLN C -73.10 -61.50 -66.26 -73.24 -61.43 0.14 17 0 "[ . 1 . 2]"
38 PSI 3 53 GLN N 3 53 GLN CA 3 53 GLN C 3 54 LEU N -50.90 -29.50 -44.95 -47.11 -48.77 0.08 15 0 "[ . 1 . 2]"
39 PHI 3 53 GLN C 3 54 LEU N 3 54 LEU CA 3 54 LEU C -71.60 -58.50 -62.68 -60.16 -60.62 . . 0 "[ . 1 . 2]"
40 PSI 3 54 LEU N 3 54 LEU CA 3 54 LEU C 3 55 LYS N -50.10 -32.70 -45.25 -43.43 -44.25 . . 0 "[ . 1 . 2]"
41 PHI 3 54 LEU C 3 55 LYS N 3 55 LYS CA 3 55 LYS C -65.60 -54.50 -62.06 -65.63 -56.94 0.03 11 0 "[ . 1 . 2]"
42 PSI 3 55 LYS N 3 55 LYS CA 3 55 LYS C 3 56 ARG N -47.10 -32.50 -42.35 -47.16 -36.40 0.06 12 0 "[ . 1 . 2]"
43 PHI 3 55 LYS C 3 56 ARG N 3 56 ARG CA 3 56 ARG C -75.00 -56.60 -59.83 -63.46 -56.98 . . 0 "[ . 1 . 2]"
44 PSI 3 56 ARG N 3 56 ARG CA 3 56 ARG C 3 57 HIS N -47.40 -27.90 -46.60 -47.72 -44.02 0.32 7 0 "[ . 1 . 2]"
45 PHI 3 56 ARG C 3 57 HIS N 3 57 HIS CA 3 57 HIS C -71.20 -61.00 -60.76 -61.10 -60.56 0.44 15 0 "[ . 1 . 2]"
46 PSI 3 57 HIS N 3 57 HIS CA 3 57 HIS C 3 58 GLN N -50.70 -36.90 -39.10 -39.91 -40.94 0.41 15 0 "[ . 1 . 2]"
47 PHI 3 57 HIS C 3 58 GLN N 3 58 GLN CA 3 58 GLN C -68.30 -53.50 -53.32 -53.48 -54.00 0.62 15 0 "[ . 1 . 2]"
48 PSI 3 58 GLN N 3 58 GLN CA 3 58 GLN C 3 59 ARG N -50.80 -38.90 -36.43 -38.32 -38.38 11.78 5 4 "[ + 1 .- **]"
49 PHI 3 58 GLN C 3 59 ARG N 3 59 ARG CA 3 59 ARG C -67.00 -55.50 -55.48 -55.53 -55.72 0.72 13 0 "[ . 1 . 2]"
50 PSI 3 59 ARG N 3 59 ARG CA 3 59 ARG C 3 60 ARG N -50.60 -33.50 -33.16 -33.37 -32.90 0.60 15 0 "[ . 1 . 2]"
51 PHI 3 59 ARG C 3 60 ARG N 3 60 ARG CA 3 60 ARG C -69.30 -55.80 -61.05 -60.64 -64.49 0.15 13 0 "[ . 1 . 2]"
52 PSI 3 60 ARG N 3 60 ARG CA 3 60 ARG C 3 61 HIS N -49.40 -31.90 -36.60 -47.64 -31.53 0.37 11 0 "[ . 1 . 2]"
53 PHI 3 67 PHE C 3 68 GLN N 3 68 GLN CA 3 68 GLN C -123.80 -91.20 -107.01 -124.55 -90.37 0.83 1 0 "[ . 1 . 2]"
54 PSI 3 68 GLN N 3 68 GLN CA 3 68 GLN C 3 69 CYS N 113.60 141.30 136.42 132.69 131.32 0.25 6 0 "[ . 1 . 2]"
55 PHI 3 74 ARG C 3 75 LYS N 3 75 LYS CA 3 75 LYS C -138.70 -88.00 -91.04 -99.57 -87.72 0.28 7 0 "[ . 1 . 2]"
56 PSI 3 75 LYS N 3 75 LYS CA 3 75 LYS C 3 76 PHE N 122.60 155.20 139.44 133.78 126.27 . . 0 "[ . 1 . 2]"
57 PHI 3 75 LYS C 3 76 PHE N 3 76 PHE CA 3 76 PHE C -157.40 -114.10 -132.51 -143.98 -114.07 0.03 1 0 "[ . 1 . 2]"
58 PSI 3 76 PHE N 3 76 PHE CA 3 76 PHE C 3 77 SER N 137.10 169.50 161.50 155.89 167.51 . . 0 "[ . 1 . 2]"
59 PHI 3 79 SER C 3 80 ASP N 3 80 ASP CA 3 80 ASP C -70.50 -57.50 -63.83 -64.57 -64.57 0.20 19 0 "[ . 1 . 2]"
60 PSI 3 80 ASP N 3 80 ASP CA 3 80 ASP C 3 81 HIS N -46.20 -35.00 -38.71 -34.83 -34.86 0.23 16 0 "[ . 1 . 2]"
61 PHI 3 80 ASP C 3 81 HIS N 3 81 HIS CA 3 81 HIS C -87.10 -59.90 -68.22 -67.30 -68.10 . . 0 "[ . 1 . 2]"
62 PSI 3 81 HIS N 3 81 HIS CA 3 81 HIS C 3 82 LEU N -47.40 -4.20 -41.42 -42.65 -44.38 0.10 18 0 "[ . 1 . 2]"
63 PHI 3 81 HIS C 3 82 LEU N 3 82 LEU CA 3 82 LEU C -68.10 -55.00 -64.72 -68.16 -60.53 0.06 4 0 "[ . 1 . 2]"
64 PSI 3 82 LEU N 3 82 LEU CA 3 82 LEU C 3 83 LYS N -47.60 -36.90 -46.17 -47.79 -41.76 0.19 19 0 "[ . 1 . 2]"
65 PHI 3 82 LEU C 3 83 LYS N 3 83 LYS CA 3 83 LYS C -65.70 -57.90 -63.33 -63.81 -64.51 0.22 7 0 "[ . 1 . 2]"
66 PSI 3 83 LYS N 3 83 LYS CA 3 83 LYS C 3 84 THR N -48.50 -34.40 -35.04 -39.80 -34.22 0.18 15 0 "[ . 1 . 2]"
67 PHI 3 83 LYS C 3 84 THR N 3 84 THR CA 3 84 THR C -74.10 -55.00 -67.14 -67.01 -67.57 . . 0 "[ . 1 . 2]"
68 PSI 3 84 THR N 3 84 THR CA 3 84 THR C 3 85 HIS N -49.00 -31.70 -49.57 -49.62 -49.66 1.03 18 0 "[ . 1 . 2]"
69 PHI 3 84 THR C 3 85 HIS N 3 85 HIS CA 3 85 HIS C -76.60 -60.70 -62.39 -64.11 -60.70 . . 0 "[ . 1 . 2]"
70 PSI 3 85 HIS N 3 85 HIS CA 3 85 HIS C 3 86 THR N -48.90 -29.50 -33.81 -33.09 -33.57 . . 0 "[ . 1 . 2]"
71 PHI 3 85 HIS C 3 86 THR N 3 86 THR CA 3 86 THR C -68.40 -54.40 -54.48 -54.22 -54.27 0.53 16 0 "[ . 1 . 2]"
72 PSI 3 86 THR N 3 86 THR CA 3 86 THR C 3 87 ARG N -48.90 -41.70 -40.77 -40.99 -40.99 3.45 19 0 "[ . 1 . 2]"
73 PHI 3 86 THR C 3 87 ARG N 3 87 ARG CA 3 87 ARG C -71.80 -62.30 -62.70 -67.60 -61.49 0.81 19 0 "[ . 1 . 2]"
74 PSI 3 87 ARG N 3 87 ARG CA 3 87 ARG C 3 88 THR N -41.70 -23.20 -23.60 -27.82 -22.57 0.63 19 0 "[ . 1 . 2]"
75 PHI 3 87 ARG C 3 88 THR N 3 88 THR CA 3 88 THR C -83.60 -54.60 -60.92 -71.89 -54.34 0.26 10 0 "[ . 1 . 2]"
76 PSI 3 88 THR N 3 88 THR CA 3 88 THR C 3 89 HIS N -48.70 -21.50 -36.16 -30.49 -34.38 . . 0 "[ . 1 . 2]"
77 PHI 3 88 THR C 3 89 HIS N 3 89 HIS CA 3 89 HIS C -94.70 -63.20 -88.03 -94.93 -76.25 0.23 15 0 "[ . 1 . 2]"
78 PSI 3 89 HIS N 3 89 HIS CA 3 89 HIS C 3 90 THR N -39.20 -18.70 -22.63 -33.46 -18.43 0.27 16 0 "[ . 1 . 2]"
79 PHI 3 89 HIS C 3 90 THR N 3 90 THR CA 3 90 THR C -116.50 -91.90 -93.19 -98.60 -91.40 0.50 15 0 "[ . 1 . 2]"
80 PSI 3 90 THR N 3 90 THR CA 3 90 THR C 3 91 GLY N -5.80 24.10 -5.04 -6.15 -6.22 0.65 9 0 "[ . 1 . 2]"
81 PHI 3 95 PHE C 3 96 SER N 3 96 SER CA 3 96 SER C -133.90 -78.90 -82.04 -88.69 -78.70 0.20 15 0 "[ . 1 . 2]"
82 PSI 3 96 SER N 3 96 SER CA 3 96 SER C 3 97 CYS N 120.80 145.90 143.93 139.69 146.14 0.24 19 0 "[ . 1 . 2]"
83 PHI 3 104 LYS C 3 105 LYS N 3 105 LYS CA 3 105 LYS C -128.40 -96.40 -119.39 -128.78 -98.35 0.38 17 0 "[ . 1 . 2]"
84 PSI 3 105 LYS N 3 105 LYS CA 3 105 LYS C 3 106 PHE N 126.70 175.80 141.91 136.24 148.18 . . 0 "[ . 1 . 2]"
85 PHI 3 105 LYS C 3 106 PHE N 3 106 PHE CA 3 106 PHE C -148.30 -112.60 -127.02 -130.30 -119.92 . . 0 "[ . 1 . 2]"
86 PSI 3 106 PHE N 3 106 PHE CA 3 106 PHE C 3 107 ALA N 144.10 167.20 161.92 154.95 167.27 0.07 10 0 "[ . 1 . 2]"
87 PHI 3 108 ARG C 3 109 SER N 3 109 SER CA 3 109 SER C -65.30 -57.20 -58.74 -61.23 -57.10 0.10 15 0 "[ . 1 . 2]"
88 PSI 3 109 SER N 3 109 SER CA 3 109 SER C 3 110 ASP N -50.20 -38.50 -43.79 -44.80 -45.12 . . 0 "[ . 1 . 2]"
89 PHI 3 109 SER C 3 110 ASP N 3 110 ASP CA 3 110 ASP C -67.20 -52.90 -67.34 -67.65 -66.43 0.45 3 0 "[ . 1 . 2]"
90 PSI 3 110 ASP N 3 110 ASP CA 3 110 ASP C 3 111 GLU N -48.90 -34.00 -33.64 -33.56 -33.58 0.62 15 0 "[ . 1 . 2]"
91 PHI 3 110 ASP C 3 111 GLU N 3 111 GLU CA 3 111 GLU C -71.60 -60.80 -60.75 -60.61 -60.66 0.27 8 0 "[ . 1 . 2]"
92 PSI 3 111 GLU N 3 111 GLU CA 3 111 GLU C 3 112 LEU N -49.00 -38.10 -41.68 -39.56 -40.59 . . 0 "[ . 1 . 2]"
93 PHI 3 111 GLU C 3 112 LEU N 3 112 LEU CA 3 112 LEU C -71.80 -54.00 -65.69 -68.38 -63.07 . . 0 "[ . 1 . 2]"
94 PSI 3 112 LEU N 3 112 LEU CA 3 112 LEU C 3 113 VAL N -50.30 -35.60 -42.59 -42.83 -43.18 . . 0 "[ . 1 . 2]"
95 PHI 3 112 LEU C 3 113 VAL N 3 113 VAL CA 3 113 VAL C -66.50 -58.30 -58.07 -57.98 -58.02 0.50 15 0 "[ . 1 . 2]"
96 PSI 3 113 VAL N 3 113 VAL CA 3 113 VAL C 3 114 ARG N -47.40 -41.60 -44.32 -47.65 -41.41 0.25 10 0 "[ . 1 . 2]"
97 PHI 3 113 VAL C 3 114 ARG N 3 114 ARG CA 3 114 ARG C -69.40 -58.10 -62.55 -63.06 -63.53 0.02 3 0 "[ . 1 . 2]"
98 PSI 3 114 ARG N 3 114 ARG CA 3 114 ARG C 3 115 HIS N -46.40 -34.00 -46.20 -46.81 -46.84 0.69 14 0 "[ . 1 . 2]"
99 PHI 3 114 ARG C 3 115 HIS N 3 115 HIS CA 3 115 HIS C -71.00 -54.50 -55.90 -67.17 -54.37 0.13 20 0 "[ . 1 . 2]"
100 PSI 3 115 HIS N 3 115 HIS CA 3 115 HIS C 3 116 HIS N -51.20 -31.70 -48.15 -49.50 -49.66 . . 0 "[ . 1 . 2]"
101 PHI 3 115 HIS C 3 116 HIS N 3 116 HIS CA 3 116 HIS C -69.20 -56.70 -57.01 -56.65 -56.65 0.11 3 0 "[ . 1 . 2]"
102 PSI 3 116 HIS N 3 116 HIS CA 3 116 HIS C 3 117 ASN N -47.40 -33.80 -37.52 -41.02 -33.33 0.47 18 0 "[ . 1 . 2]"
103 PHI 3 116 HIS C 3 117 ASN N 3 117 ASN CA 3 117 ASN C -78.20 -57.70 -69.10 -72.77 -63.97 . . 0 "[ . 1 . 2]"
104 PSI 3 117 ASN N 3 117 ASN CA 3 117 ASN C 3 118 MET N -31.80 -15.70 -16.54 -17.31 -18.52 0.14 14 0 "[ . 1 . 2]"
stop_
save_
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