NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430720 |
2jop   |
15189 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jop
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 93
_TA_constraint_stats_list.Viol_count 597
_TA_constraint_stats_list.Viol_total 42538.69
_TA_constraint_stats_list.Viol_max 5.07
_TA_constraint_stats_list.Viol_rms 0.64
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 1.43
_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 23 LEU C 1 24 SER N 1 24 SER CA 1 24 SER C -144.00 -76.00 -141.59 -135.27 -138.37 3.84 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 . 1 29 ASP C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -111.00 -39.00 -80.69 -110.94 -56.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
3 . 1 30 PHE C 1 31 GLN N 1 31 GLN CA 1 31 GLN C -161.00 -61.00 -94.60 -70.09 -77.51 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
4 . 1 31 GLN C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -161.00 -89.00 -146.77 -148.40 -149.33 1.02 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
5 . 1 32 ALA C 1 33 ARG N 1 33 ARG CA 1 33 ARG C -176.00 -132.00 -174.09 -177.71 -154.73 1.71 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
6 . 1 33 ARG C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -133.00 -85.00 -101.17 -118.70 -84.19 0.81 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
7 . 1 41 CYS C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -158.00 -110.00 -153.66 -156.88 -158.12 1.68 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
8 . 1 42 GLN C 1 43 GLY N 1 43 GLY CA 1 43 GLY C 120.00 -172.00 158.93 158.90 156.48 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
9 . 1 43 GLY C 1 44 GLN N 1 44 GLN CA 1 44 GLN C -129.00 -61.00 -77.64 -94.59 -63.04 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
10 . 1 44 GLN C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -120.00 -68.00 -77.54 -78.94 -79.81 0.15 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
11 . 1 45 LEU C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -165.00 -101.00 -121.09 -139.40 -99.38 1.62 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
12 . 1 46 GLU C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -153.00 -105.00 -120.89 -131.80 -108.50 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
13 . 1 54 HIS C 1 55 MET N 1 55 MET CA 1 55 MET C -124.00 -64.00 -76.01 -88.01 -66.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
14 . 1 55 MET C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -169.00 -77.00 -92.58 -89.10 -89.62 0.02 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
15 . 1 74 ALA C 1 75 SER N 1 75 SER CA 1 75 SER C -76.00 -48.00 -56.79 -63.14 -51.28 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
16 . 1 75 SER C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -80.00 -52.00 -63.67 -75.33 -51.62 0.38 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
17 . 1 76 LYS C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -74.00 -54.00 -69.51 -75.72 -58.82 1.72 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
18 . 1 77 VAL C 1 78 CYS N 1 78 CYS CA 1 78 CYS C -79.00 -49.00 -72.35 -71.38 -71.74 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
19 . 1 78 CYS C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -88.00 -48.00 -63.83 -68.11 -55.76 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
20 . 1 79 GLN C 1 80 ARG N 1 80 ARG CA 1 80 ARG C -77.00 -53.00 -68.68 -77.45 -58.03 0.45 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
21 . 1 80 ARG C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -124.00 -64.00 -93.23 -94.10 -94.79 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
22 . 1 84 GLY C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -152.00 -80.00 -78.64 -79.67 -76.87 3.13 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
23 . 1 87 LEU C 1 88 SER N 1 88 SER CA 1 88 SER C 175.00 -61.00 -70.25 -80.66 -60.73 0.27 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
24 . 1 88 SER C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -159.00 -87.00 -97.67 -104.56 -107.00 1.11 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
25 . 1 93 LEU C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -160.00 -68.00 -107.36 -96.69 -108.77 1.85 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
26 . 1 96 TYR C 1 97 THR N 1 97 THR CA 1 97 THR C -147.00 -47.00 -132.54 -124.57 -127.75 2.12 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
27 . 1 100 SER C 1 101 SER N 1 101 SER CA 1 101 SER C -119.00 -71.00 -91.75 -77.20 -78.78 0.78 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
28 . 1 102 ILE C 1 103 ILE N 1 103 ILE CA 1 103 ILE C 176.00 -72.00 -118.38 -108.94 -111.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
29 . 1 103 ILE C 1 104 CYS N 1 104 CYS CA 1 104 CYS C -124.00 -84.00 -88.14 -105.50 -82.63 1.37 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
30 . 1 105 TYR C 1 106 GLY N 1 106 GLY CA 1 106 GLY C 98.00 138.00 115.79 100.70 98.46 0.96 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
31 . 1 106 GLY C 1 107 GLN N 1 107 GLN CA 1 107 GLN C -120.00 -76.00 -98.88 -83.73 -86.32 0.78 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
32 . 1 114 CYS C 1 115 SER N 1 115 SER CA 1 115 SER C -159.00 -35.00 -149.05 -159.10 -131.67 0.10 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
33 . 1 117 SER C 1 118 ARG N 1 118 ARG CA 1 118 ARG C -119.00 -55.00 -105.57 -115.38 -118.88 2.48 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
34 . 1 124 SER C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -129.00 -49.00 -64.95 -86.28 -53.66 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
35 . 1 126 GLY C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -154.00 -90.00 -133.60 -155.87 -90.71 1.87 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
36 . 1 127 LEU C 1 128 THR N 1 128 THR CA 1 128 THR C -157.00 -69.00 -143.94 -130.11 -136.91 0.69 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
37 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 TRP N 129.00 -179.00 150.11 130.51 173.92 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
38 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 GLN N 110.00 150.00 130.23 111.01 150.55 0.55 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
39 . 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1 32 ALA N 117.00 157.00 120.96 113.07 134.84 3.93 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
40 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 ARG N 138.00 166.00 149.67 137.05 166.21 0.95 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
41 . 1 33 ARG N 1 33 ARG CA 1 33 ARG C 1 34 LEU N 144.00 180.00 -177.17 -177.21 -177.36 4.75 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
42 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 THR N 109.00 165.00 148.78 124.09 166.32 1.32 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
43 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 GLY N 127.00 179.00 125.29 121.93 142.36 5.07 7 1 "[ . + 1 . 2 . 3 . 4 . 5]"
44 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 GLN N 113.00 177.00 178.49 -179.76 -179.95 4.72 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
45 . 1 44 GLN N 1 44 GLN CA 1 44 GLN C 1 45 LEU N 95.00 159.00 148.47 136.73 161.25 2.25 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
46 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 GLU N 108.00 152.00 125.51 107.70 142.42 0.30 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
47 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 VAL N 111.00 -173.00 116.76 117.62 117.33 1.19 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
48 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 TYR N 117.00 169.00 137.42 123.42 146.01 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
49 . 1 55 MET N 1 55 MET CA 1 55 MET C 1 56 VAL N 100.00 156.00 106.06 105.70 104.94 1.17 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
50 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 CYS N 103.00 -173.00 165.92 146.96 179.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
51 . 1 75 SER N 1 75 SER CA 1 75 SER C 1 76 LYS N -46.00 -14.00 -41.00 -32.23 -35.65 1.00 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
52 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 VAL N -55.00 -15.00 -34.69 -31.49 -31.95 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
53 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 CYS N -60.00 -40.00 -51.96 -56.38 -57.40 1.85 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
54 . 1 78 CYS N 1 78 CYS CA 1 78 CYS C 1 79 GLN N -41.00 -17.00 -25.85 -31.04 -18.39 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
55 . 1 79 GLN N 1 79 GLN CA 1 79 GLN C 1 80 ARG N -55.00 -27.00 -40.53 -31.89 -33.88 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
56 . 1 80 ARG N 1 80 ARG CA 1 80 ARG C 1 81 LEU N -52.00 -12.00 -23.75 -35.79 -10.58 1.42 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
57 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 ASN N -23.00 21.00 11.90 9.54 8.70 0.31 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
58 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 PRO N 110.00 -174.00 170.58 172.31 172.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
59 . 1 88 SER N 1 88 SER CA 1 88 SER C 1 89 LEU N 121.00 173.00 147.07 147.93 147.69 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
60 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 GLY N 121.00 161.00 129.78 119.97 148.78 1.03 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
61 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 THR N 100.00 176.00 121.87 120.86 119.26 2.17 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
62 . 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 PRO N 81.00 -167.00 128.96 127.44 125.56 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
63 . 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 ILE N 118.00 -166.00 154.99 129.37 177.12 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
64 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 CYS N 97.00 177.00 108.63 96.31 128.39 0.69 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
65 . 1 107 GLN N 1 107 GLN CA 1 107 GLN C 1 108 LEU N 115.00 -177.00 135.54 117.74 152.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
66 . 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 HIS N 116.00 180.00 164.41 143.38 -179.06 0.94 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
67 . 1 118 ARG N 1 118 ARG CA 1 118 ARG C 1 119 ASN N -80.00 32.00 -32.18 -9.11 -24.90 0.82 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
68 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 GLY N 81.00 137.00 126.03 131.92 130.96 3.03 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
69 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C 1 128 THR N 97.00 177.00 138.98 108.46 159.40 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
70 . 1 128 THR N 1 128 THR CA 1 128 THR C 1 129 CYS N 97.00 -167.00 104.46 95.99 112.36 1.01 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
71 . 1 25 TRP N 1 25 TRP CA 1 25 TRP CB 1 25 TRP CG 30.00 90.00 61.34 59.75 57.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
72 . 1 26 TYR N 1 26 TYR CA 1 26 TYR CB 1 26 TYR CG 30.00 90.00 52.85 33.84 72.91 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
73 . 1 33 ARG N 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 30.00 90.00 65.96 54.29 90.26 0.26 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
74 . 1 34 LEU N 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG -90.00 -30.00 -47.18 -54.15 -29.56 0.44 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
75 . 1 45 LEU N 1 45 LEU CA 1 45 LEU CB 1 45 LEU CG 150.00 -150.00 -174.99 -178.67 -179.33 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
76 . 1 48 TYR N 1 48 TYR CA 1 48 TYR CB 1 48 TYR CG 150.00 -150.00 -175.66 169.68 -166.14 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
77 . 1 49 LEU N 1 49 LEU CA 1 49 LEU CB 1 49 LEU CG 30.00 90.00 54.12 26.84 72.18 3.16 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
78 . 1 51 ASP N 1 51 ASP CA 1 51 ASP CB 1 51 ASP CG 30.00 90.00 72.80 50.92 88.23 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
79 . 1 54 HIS N 1 54 HIS CA 1 54 HIS CB 1 54 HIS CG -90.00 -30.00 -81.69 -91.81 -73.12 1.81 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
80 . 1 57 CYS N 1 57 CYS CA 1 57 CYS CB 1 57 CYS SG 30.00 90.00 60.02 27.55 94.94 4.94 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
81 . 1 63 ARG N 1 63 ARG CA 1 63 ARG CB 1 63 ARG CG -90.00 -30.00 -64.85 -92.81 -46.88 2.81 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
82 . 1 68 TRP N 1 68 TRP CA 1 68 TRP CB 1 68 TRP CG -90.00 -30.00 -65.93 -90.65 -43.42 0.65 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
83 . 1 70 ASP N 1 70 ASP CA 1 70 ASP CB 1 70 ASP CG 150.00 -150.00 179.51 149.55 -162.77 0.45 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
84 . 1 73 GLN N 1 73 GLN CA 1 73 GLN CB 1 73 GLN CG -90.00 -30.00 -61.72 -68.94 -70.25 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
85 . 1 78 CYS N 1 78 CYS CA 1 78 CYS CB 1 78 CYS SG -90.00 -30.00 -59.34 -56.94 -57.54 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
86 . 1 82 ASN N 1 82 ASN CA 1 82 ASN CB 1 82 ASN CG 30.00 90.00 63.53 58.85 57.94 2.46 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
87 . 1 85 ASP N 1 85 ASP CA 1 85 ASP CB 1 85 ASP CG -90.00 -30.00 -73.67 -92.12 -59.52 2.12 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
88 . 1 92 PHE N 1 92 PHE CA 1 92 PHE CB 1 92 PHE CG 150.00 -150.00 -166.26 -154.91 -157.62 0.15 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
89 . 1 104 CYS N 1 104 CYS CA 1 104 CYS CB 1 104 CYS SG -90.00 -30.00 -41.67 -40.81 -41.23 0.24 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
90 . 1 105 TYR N 1 105 TYR CA 1 105 TYR CB 1 105 TYR CG -90.00 -30.00 -68.23 -85.92 -55.30 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
91 . 1 122 CYS N 1 122 CYS CA 1 122 CYS CB 1 122 CYS SG 30.00 90.00 40.98 25.41 93.23 4.59 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
92 . 1 129 CYS N 1 129 CYS CA 1 129 CYS CB 1 129 CYS SG -90.00 -30.00 -66.82 -74.59 -47.65 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
93 . 1 131 GLU N 1 131 GLU CA 1 131 GLU CB 1 131 GLU CG 30.00 90.00 58.79 57.56 56.63 . . 0 "[ . 1 . 2 . 3 . 4 . 5]"
stop_
save_
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