NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482899 |
1tin   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1tin
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 115
_TA_constraint_stats_list.Viol_count 33
_TA_constraint_stats_list.Viol_total 773.03
_TA_constraint_stats_list.Viol_max 97.25
_TA_constraint_stats_list.Viol_rms 20.15
_TA_constraint_stats_list.Viol_average_all_restraints 6.72
_TA_constraint_stats_list.Viol_average_violations_only 23.43
_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 8 SER C 1 9 SER N 1 9 SER CA 1 9 SER C -160.00 -80.00 -160.15 -160.15 -160.15 0.15 1 0 "[ ]"
2 . 1 9 SER C 1 10 TRP N 1 10 TRP CA 1 10 TRP C -160.00 -80.00 -79.88 -79.88 -79.88 0.12 1 0 "[ ]"
3 . 1 30 PRO C 1 31 ASN N 1 31 ASN CA 1 31 ASN C -160.00 -80.00 -82.79 -82.79 -82.79 . . 0 "[ ]"
4 . 1 12 HIS C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -160.00 -80.00 -109.19 -109.19 -109.19 . . 0 "[ ]"
5 . 1 11 PRO C 1 12 HIS N 1 12 HIS CA 1 12 HIS C -160.00 -80.00 -90.63 -90.63 -90.63 . . 0 "[ ]"
6 . 1 31 ASN C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -160.00 -80.00 -89.92 -89.92 -89.92 . . 0 "[ ]"
7 . 1 33 LYS C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -160.00 -80.00 -103.70 -103.70 -103.70 . . 0 "[ ]"
8 . 1 34 ALA C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -160.00 -80.00 -128.47 -128.47 -128.47 . . 0 "[ ]"
9 . 1 35 VAL C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -160.00 -80.00 -146.53 -146.53 -146.53 . . 0 "[ ]"
10 . 1 36 ILE C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -160.00 -80.00 -160.05 -160.05 -160.05 0.05 1 0 "[ ]"
11 . 1 50 ASN C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -160.00 -80.00 -151.65 -151.65 -151.65 . . 0 "[ ]"
12 . 1 51 ARG C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -160.00 -80.00 -115.77 -115.77 -115.77 . . 0 "[ ]"
13 . 1 52 VAL C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -160.00 -80.00 -84.12 -84.12 -84.12 . . 0 "[ ]"
14 . 1 53 ARG C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -160.00 -80.00 -131.38 -131.38 -131.38 . . 0 "[ ]"
15 . 1 54 ILE C 1 55 TRP N 1 55 TRP CA 1 55 TRP C -160.00 -80.00 -83.94 -83.94 -83.94 . . 0 "[ ]"
16 . 1 55 TRP C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -160.00 -80.00 -143.70 -143.70 -143.70 . . 0 "[ ]"
17 . 1 56 VAL C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -160.00 -80.00 -104.77 -104.77 -104.77 . . 0 "[ ]"
18 . 1 60 GLY C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -160.00 -80.00 -158.70 -158.70 -158.70 . . 0 "[ ]"
19 . 1 3 SER C 1 4 CYS N 1 4 CYS CA 1 4 CYS C -90.00 -40.00 -45.70 -45.70 -45.70 . . 0 "[ ]"
20 . 1 6 GLY C 1 7 LYS N 1 7 LYS CA 1 7 LYS C -90.00 -40.00 -90.48 -90.48 -90.48 0.48 1 0 "[ ]"
21 . 1 18 GLY C 1 19 SER N 1 19 SER CA 1 19 SER C -90.00 -40.00 -49.65 -49.65 -49.65 . . 0 "[ ]"
22 . 1 19 SER C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -90.00 -40.00 -52.74 -52.74 -52.74 . . 0 "[ ]"
23 . 1 20 VAL C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -90.00 -40.00 -53.09 -53.09 -53.09 . . 0 "[ ]"
24 . 1 21 ALA C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -90.00 -40.00 -57.91 -57.91 -57.91 . . 0 "[ ]"
25 . 1 22 LYS C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -90.00 -40.00 -57.02 -57.02 -57.02 . . 0 "[ ]"
26 . 1 23 ALA C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -90.00 -40.00 -63.32 -63.32 -63.32 . . 0 "[ ]"
27 . 1 24 ILE C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -90.00 -40.00 -70.00 -70.00 -70.00 . . 0 "[ ]"
28 . 1 25 ILE C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -90.00 -40.00 -71.38 -71.38 -71.38 . . 0 "[ ]"
29 . 1 26 GLU C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -90.00 -40.00 -71.91 -71.91 -71.91 . . 0 "[ ]"
30 . 1 27 ARG C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -90.00 -40.00 -81.40 -81.40 -81.40 . . 0 "[ ]"
31 . 1 40 GLY C 1 41 THR N 1 41 THR CA 1 41 THR C -90.00 -40.00 -44.68 -44.68 -44.68 . . 0 "[ ]"
32 . 1 45 LYS C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -90.00 -40.00 -80.92 -80.92 -80.92 . . 0 "[ ]"
33 . 1 49 CYS C 1 50 ASN N 1 50 ASN CA 1 50 ASN C -90.00 -40.00 -90.25 -90.25 -90.25 0.25 1 0 "[ ]"
34 . 1 57 ASN C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -90.00 -40.00 -47.40 -47.40 -47.40 . . 0 "[ ]"
35 . 1 57 ASN C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -160.00 -20.00 -47.40 -47.40 -47.40 . . 0 "[ ]"
36 . 1 58 LYS C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -90.00 -40.00 -49.10 -49.10 -49.10 . . 0 "[ ]"
37 . 1 63 VAL C 1 64 SER N 1 64 SER CA 1 64 SER C -90.00 -40.00 -90.32 -90.32 -90.32 0.32 1 0 "[ ]"
38 . 1 7 LYS C 1 8 SER N 1 8 SER CA 1 8 SER C -160.00 -20.00 -59.25 -59.25 -59.25 . . 0 "[ ]"
39 . 1 37 LEU C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -160.00 -20.00 -86.54 -86.54 -86.54 . . 0 "[ ]"
40 . 1 38 GLU C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -160.00 -20.00 -44.21 -44.21 -44.21 . . 0 "[ ]"
41 . 1 42 PRO C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -160.00 -20.00 -137.93 -137.93 -137.93 . . 0 "[ ]"
42 . 1 43 VAL C 1 44 THR N 1 44 THR CA 1 44 THR C -160.00 -20.00 -157.93 -157.93 -157.93 . . 0 "[ ]"
43 . 1 44 THR C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -160.00 -20.00 -44.92 -44.92 -44.92 . . 0 "[ ]"
44 . 1 46 ASP C 1 47 PHE N 1 47 PHE CA 1 47 PHE C -160.00 -20.00 -160.39 -160.39 -160.39 0.39 1 0 "[ ]"
45 . 1 47 PHE C 1 48 ARG N 1 48 ARG CA 1 48 ARG C -160.00 -20.00 -94.48 -94.48 -94.48 . . 0 "[ ]"
46 . 1 48 ARG C 1 49 CYS N 1 49 CYS CA 1 49 CYS C -160.00 -20.00 -57.35 -57.35 -57.35 . . 0 "[ ]"
47 . 1 67 ARG C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -160.00 -20.00 -106.85 -106.85 -106.85 . . 0 "[ ]"
48 . 1 68 ILE C 1 69 GLY N 1 69 GLY CA 1 69 GLY C -160.00 -20.00 -82.73 -82.73 -82.73 . . 0 "[ ]"
49 . 1 66 PRO C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -160.00 -20.00 -148.60 -148.60 -148.60 . . 0 "[ ]"
50 . 1 4 CYS O 1 4 CYS C 1 5 PRO N 1 5 PRO CD 175.00 -175.00 -179.62 -179.62 -179.62 . . 0 "[ ]"
51 . 1 10 TRP O 1 10 TRP C 1 11 PRO N 1 11 PRO CD 175.00 -175.00 179.91 179.91 179.91 . . 0 "[ ]"
52 . 1 29 ASN O 1 29 ASN C 1 30 PRO N 1 30 PRO CD 175.00 -175.00 -179.66 -179.66 -179.66 . . 0 "[ ]"
53 . 1 41 THR O 1 41 THR C 1 42 PRO N 1 42 PRO CD 175.00 -175.00 179.80 179.80 179.80 . . 0 "[ ]"
54 . 1 64 SER O 1 64 SER C 1 65 PRO N 1 65 PRO CD 175.00 -175.00 -178.93 -178.93 -178.93 . . 0 "[ ]"
55 . 1 65 PRO O 1 65 PRO C 1 66 PRO N 1 66 PRO CD 175.00 -175.00 178.13 178.13 178.13 . . 0 "[ ]"
56 . 1 5 PRO N 1 5 PRO CA 1 5 PRO CB 1 5 PRO CG -37.00 -7.00 -13.17 -13.17 -13.17 . . 0 "[ ]"
57 . 1 5 PRO CA 1 5 PRO CB 1 5 PRO CG 1 5 PRO CD 18.00 48.00 17.77 17.77 17.77 0.23 1 0 "[ ]"
58 . 1 5 PRO CB 1 5 PRO CG 1 5 PRO CD 1 5 PRO N -46.00 -16.00 -14.91 -14.91 -14.91 1.09 1 0 "[ ]"
59 . 1 30 PRO N 1 30 PRO CA 1 30 PRO CB 1 30 PRO CG -37.00 -7.00 -12.35 -12.35 -12.35 . . 0 "[ ]"
60 . 1 30 PRO CA 1 30 PRO CB 1 30 PRO CG 1 30 PRO CD 18.00 48.00 17.55 17.55 17.55 0.45 1 0 "[ ]"
61 . 1 30 PRO CB 1 30 PRO CG 1 30 PRO CD 1 30 PRO N -46.00 -16.00 -15.37 -15.37 -15.37 0.63 1 0 "[ ]"
62 . 1 42 PRO N 1 42 PRO CA 1 42 PRO CB 1 42 PRO CG -37.00 -7.00 -11.78 -11.78 -11.78 . . 0 "[ ]"
63 . 1 42 PRO CA 1 42 PRO CB 1 42 PRO CG 1 42 PRO CD 18.00 48.00 17.29 17.29 17.29 0.71 1 0 "[ ]"
64 . 1 42 PRO CB 1 42 PRO CG 1 42 PRO CD 1 42 PRO N -46.00 -16.00 -15.53 -15.53 -15.53 0.47 1 0 "[ ]"
65 . 1 65 PRO N 1 65 PRO CA 1 65 PRO CB 1 65 PRO CG -37.00 -7.00 -12.61 -12.61 -12.61 . . 0 "[ ]"
66 . 1 65 PRO CA 1 65 PRO CB 1 65 PRO CG 1 65 PRO CD 18.00 48.00 17.57 17.57 17.57 0.43 1 0 "[ ]"
67 . 1 65 PRO CB 1 65 PRO CG 1 65 PRO CD 1 65 PRO N -46.00 -16.00 -15.13 -15.13 -15.13 0.87 1 0 "[ ]"
68 . 1 66 PRO N 1 66 PRO CA 1 66 PRO CB 1 66 PRO CG -37.00 -7.00 -7.60 -7.60 -7.60 . . 0 "[ ]"
69 . 1 66 PRO CA 1 66 PRO CB 1 66 PRO CG 1 66 PRO CD 18.00 48.00 16.65 16.65 16.65 1.35 1 0 "[ ]"
70 . 1 66 PRO CB 1 66 PRO CG 1 66 PRO CD 1 66 PRO N -46.00 -16.00 -18.69 -18.69 -18.69 . . 0 "[ ]"
71 . 1 11 PRO N 1 11 PRO CA 1 11 PRO CB 1 11 PRO CG 11.00 41.00 13.56 13.56 13.56 . . 0 "[ ]"
72 . 1 11 PRO CA 1 11 PRO CB 1 11 PRO CG 1 11 PRO CD -48.00 -18.00 -17.07 -17.07 -17.07 0.93 1 0 "[ ]"
73 . 1 11 PRO CB 1 11 PRO CG 1 11 PRO CD 1 11 PRO N 11.00 41.00 13.40 13.40 13.40 . . 0 "[ ]"
74 . 1 4 CYS N 1 4 CYS CA 1 4 CYS CB 1 4 CYS SG -90.00 -30.00 -37.08 -37.08 -37.08 . . 0 "[ ]"
75 . 1 10 TRP N 1 10 TRP CA 1 10 TRP CB 1 10 TRP CG -90.00 -30.00 -90.27 -90.27 -90.27 0.27 1 0 "[ ]"
76 . 1 26 GLU N 1 26 GLU CA 1 26 GLU CB 1 26 GLU CG -90.00 -30.00 -66.16 -66.16 -66.16 . . 0 "[ ]"
77 . 1 28 GLN N 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG -90.00 -30.00 -149.53 -149.53 -149.53 59.53 1 1 [+]
78 . 1 31 ASN N 1 31 ASN CA 1 31 ASN CB 1 31 ASN CG -90.00 -30.00 -53.34 -53.34 -53.34 . . 0 "[ ]"
79 . 1 33 LYS N 1 33 LYS CA 1 33 LYS CB 1 33 LYS CG -90.00 -30.00 -57.57 -57.57 -57.57 . . 0 "[ ]"
80 . 1 49 CYS N 1 49 CYS CA 1 49 CYS CB 1 49 CYS SG -90.00 -30.00 -55.07 -55.07 -55.07 . . 0 "[ ]"
81 . 1 51 ARG N 1 51 ARG CA 1 51 ARG CB 1 51 ARG CG -90.00 -30.00 -68.27 -68.27 -68.27 . . 0 "[ ]"
82 . 1 55 TRP N 1 55 TRP CA 1 55 TRP CB 1 55 TRP CG -90.00 -30.00 -67.75 -67.75 -67.75 . . 0 "[ ]"
83 . 1 59 ARG N 1 59 ARG CA 1 59 ARG CB 1 59 ARG CG -90.00 -30.00 -44.60 -44.60 -44.60 . . 0 "[ ]"
84 . 1 61 LEU N 1 61 LEU CA 1 61 LEU CB 1 61 LEU CG -90.00 -30.00 -90.32 -90.32 -90.32 0.32 1 0 "[ ]"
85 . 1 7 LYS N 1 7 LYS CA 1 7 LYS CB 1 7 LYS CG 150.00 -150.00 -164.58 -164.58 -164.58 . . 0 "[ ]"
86 . 1 22 LYS N 1 22 LYS CA 1 22 LYS CB 1 22 LYS CG 150.00 -150.00 174.87 174.87 174.87 . . 0 "[ ]"
87 . 1 29 ASN N 1 29 ASN CA 1 29 ASN CB 1 29 ASN CG 150.00 -150.00 -159.18 -159.18 -159.18 . . 0 "[ ]"
88 . 1 47 PHE N 1 47 PHE CA 1 47 PHE CB 1 47 PHE CG 150.00 -150.00 -161.15 -161.15 -161.15 . . 0 "[ ]"
89 . 1 53 ARG N 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG -90.00 -30.00 -31.29 -31.29 -31.29 . . 0 "[ ]"
90 . 1 8 SER N 1 8 SER CA 1 8 SER CB 1 8 SER OG 30.00 90.00 30.86 30.86 30.86 . . 0 "[ ]"
91 . 1 37 LEU N 1 37 LEU CA 1 37 LEU CB 1 37 LEU CG 30.00 90.00 47.75 47.75 47.75 . . 0 "[ ]"
92 . 1 50 ASN N 1 50 ASN CA 1 50 ASN CB 1 50 ASN CG 30.00 90.00 81.75 81.75 81.75 . . 0 "[ ]"
93 . 1 57 ASN N 1 57 ASN CA 1 57 ASN CB 1 57 ASN CG 30.00 90.00 29.68 29.68 29.68 0.32 1 0 "[ ]"
94 . 1 24 ILE N 1 24 ILE CA 1 24 ILE CB 1 24 ILE CG1 -90.00 -30.00 -51.20 -51.20 -51.20 . . 0 "[ ]"
95 . 1 25 ILE N 1 25 ILE CA 1 25 ILE CB 1 25 ILE CG1 -90.00 -30.00 -75.67 -75.67 -75.67 . . 0 "[ ]"
96 . 1 36 ILE N 1 36 ILE CA 1 36 ILE CB 1 36 ILE CG1 -90.00 -30.00 -57.75 -57.75 -57.75 . . 0 "[ ]"
97 . 1 54 ILE N 1 54 ILE CA 1 54 ILE CB 1 54 ILE CG1 -90.00 -30.00 -52.75 -52.75 -52.75 . . 0 "[ ]"
98 . 1 51 ARG CA 1 51 ARG CB 1 51 ARG CG 1 51 ARG CD 150.00 -150.00 -156.35 -156.35 -156.35 . . 0 "[ ]"
99 . 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG 1 53 ARG CD 150.00 -150.00 -168.82 -168.82 -168.82 . . 0 "[ ]"
100 . 1 53 ARG CB 1 53 ARG CG 1 53 ARG CD 1 53 ARG NE 150.00 -150.00 -164.08 -164.08 -164.08 . . 0 "[ ]"
101 . 1 53 ARG CG 1 53 ARG CD 1 53 ARG NE 1 53 ARG CZ 150.00 -150.00 -149.54 -149.54 -149.54 0.46 1 0 "[ ]"
102 . 1 22 LYS CA 1 22 LYS CB 1 22 LYS CG 1 22 LYS CD 150.00 -150.00 -169.05 -169.05 -169.05 . . 0 "[ ]"
103 . 1 22 LYS CB 1 22 LYS CG 1 22 LYS CD 1 22 LYS CE 150.00 -150.00 -173.87 -173.87 -173.87 . . 0 "[ ]"
104 . 1 7 LYS CA 1 7 LYS CB 1 7 LYS CG 1 7 LYS CD 150.00 -150.00 90.22 90.22 90.22 59.78 1 1 [+]
105 . 1 7 LYS CB 1 7 LYS CG 1 7 LYS CD 1 7 LYS CE 150.00 -150.00 -90.15 -90.15 -90.15 59.85 1 1 [+]
106 . 1 7 LYS CG 1 7 LYS CD 1 7 LYS CE 1 7 LYS NZ -90.00 -30.00 -57.30 -57.30 -57.30 . . 0 "[ ]"
107 . 1 32 VAL N 1 32 VAL CA 1 32 VAL CB 1 32 VAL CG1 0.00 120.00 -65.66 -65.66 -65.66 65.66 1 1 [+]
108 . 1 43 VAL N 1 43 VAL CA 1 43 VAL CB 1 43 VAL CG1 0.00 120.00 -33.98 -33.98 -33.98 33.98 1 1 [+]
109 . 1 56 VAL N 1 56 VAL CA 1 56 VAL CB 1 56 VAL CG1 0.00 120.00 -64.03 -64.03 -64.03 64.03 1 1 [+]
110 . 1 63 VAL N 1 63 VAL CA 1 63 VAL CB 1 63 VAL CG1 0.00 120.00 -97.25 -97.25 -97.25 97.25 1 1 [+]
111 . 1 14 VAL N 1 14 VAL CA 1 14 VAL CB 1 14 VAL CG1 -120.00 0.00 167.87 167.87 167.87 72.13 1 1 [+]
112 . 1 16 VAL N 1 16 VAL CA 1 16 VAL CB 1 16 VAL CG1 -120.00 0.00 -167.91 -167.91 -167.91 47.91 1 1 [+]
113 . 1 20 VAL N 1 20 VAL CA 1 20 VAL CB 1 20 VAL CG1 -120.00 0.00 167.47 167.47 167.47 72.53 1 1 [+]
114 . 1 52 VAL N 1 52 VAL CA 1 52 VAL CB 1 52 VAL CG1 -120.00 0.00 161.71 161.71 161.71 78.29 1 1 [+]
115 . 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 -120.00 0.00 -171.79 -171.79 -171.79 51.79 1 1 [+]
stop_
save_
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