NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506679 |
2d8x   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2d8x
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 261
_TA_constraint_stats_list.Viol_count 164
_TA_constraint_stats_list.Viol_total 8293.10
_TA_constraint_stats_list.Viol_max 10.13
_TA_constraint_stats_list.Viol_rms 0.66
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 2.53
_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 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG -90.00 -150.00 -127.14 53.91 -52.55 . . 0 "[ . 1 . 2]"
2 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 30.00 -30.00 -127.14 53.91 -52.55 . . 0 "[ . 1 . 2]"
3 CHI1 1 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 150.00 90.00 -127.14 53.91 -52.55 . . 0 "[ . 1 . 2]"
4 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG -90.00 -150.00 -143.19 169.20 70.98 0.18 2 0 "[ . 1 . 2]"
5 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 30.00 -30.00 -143.19 169.20 70.98 . . 0 "[ . 1 . 2]"
6 CHI1 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG 150.00 90.00 -143.19 169.20 70.98 . . 0 "[ . 1 . 2]"
7 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG -90.00 -150.00 -63.70 53.43 -54.64 . . 0 "[ . 1 . 2]"
8 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 30.00 -30.00 -63.70 53.43 -54.64 . . 0 "[ . 1 . 2]"
9 CHI1 1 5 SER N 1 5 SER CA 1 5 SER CB 1 5 SER OG 150.00 90.00 -63.70 53.43 -54.64 . . 0 "[ . 1 . 2]"
10 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG -90.00 -150.00 -71.15 -67.98 -69.87 0.08 15 0 "[ . 1 . 2]"
11 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 30.00 -30.00 -71.15 -67.98 -69.87 . . 0 "[ . 1 . 2]"
12 CHI1 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 150.00 90.00 -71.15 -67.98 -69.87 . . 0 "[ . 1 . 2]"
13 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG -90.00 -150.00 165.47 166.63 165.34 . . 0 "[ . 1 . 2]"
14 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 30.00 -30.00 165.47 166.63 165.34 . . 0 "[ . 1 . 2]"
15 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 150.00 90.00 165.47 166.63 165.34 . . 0 "[ . 1 . 2]"
16 CHI1 1 9 HIS N 1 9 HIS CA 1 9 HIS CB 1 9 HIS CG -90.00 -150.00 -165.28 -173.76 -157.69 . . 0 "[ . 1 . 2]"
17 CHI1 1 9 HIS N 1 9 HIS CA 1 9 HIS CB 1 9 HIS CG 30.00 -30.00 -165.28 -173.76 -157.69 . . 0 "[ . 1 . 2]"
18 CHI1 1 9 HIS N 1 9 HIS CA 1 9 HIS CB 1 9 HIS CG 150.00 90.00 -165.28 -173.76 -157.69 . . 0 "[ . 1 . 2]"
19 CHI1 1 10 GLN N 1 10 GLN CA 1 10 GLN CB 1 10 GLN CG -90.00 -150.00 178.03 -175.82 -179.11 . . 0 "[ . 1 . 2]"
20 CHI1 1 10 GLN N 1 10 GLN CA 1 10 GLN CB 1 10 GLN CG 30.00 -30.00 178.03 -175.82 -179.11 . . 0 "[ . 1 . 2]"
21 CHI1 1 10 GLN N 1 10 GLN CA 1 10 GLN CB 1 10 GLN CG 150.00 90.00 178.03 -175.82 -179.11 . . 0 "[ . 1 . 2]"
22 CHI2 1 10 GLN CA 1 10 GLN CB 1 10 GLN CG 1 10 GLN CD -90.00 -150.00 75.96 76.34 74.50 . . 0 "[ . 1 . 2]"
23 CHI2 1 10 GLN CA 1 10 GLN CB 1 10 GLN CG 1 10 GLN CD 30.00 -30.00 75.96 76.34 74.50 . . 0 "[ . 1 . 2]"
24 CHI2 1 10 GLN CA 1 10 GLN CB 1 10 GLN CG 1 10 GLN CD 150.00 90.00 75.96 76.34 74.50 . . 0 "[ . 1 . 2]"
25 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG -90.00 -150.00 62.13 59.97 64.68 . . 0 "[ . 1 . 2]"
26 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 30.00 -30.00 62.13 59.97 64.68 . . 0 "[ . 1 . 2]"
27 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 150.00 90.00 62.13 59.97 64.68 . . 0 "[ . 1 . 2]"
28 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG -90.00 -150.00 -53.31 -56.44 -56.63 . . 0 "[ . 1 . 2]"
29 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 30.00 -30.00 -53.31 -56.44 -56.63 . . 0 "[ . 1 . 2]"
30 CHI1 1 13 GLU N 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 150.00 90.00 -53.31 -56.44 -56.63 . . 0 "[ . 1 . 2]"
31 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD -90.00 -150.00 -92.87 -148.64 -72.44 1.86 18 0 "[ . 1 . 2]"
32 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD 30.00 -30.00 -92.87 -148.64 -72.44 . . 0 "[ . 1 . 2]"
33 CHI2 1 13 GLU CA 1 13 GLU CB 1 13 GLU CG 1 13 GLU CD 150.00 90.00 -92.87 -148.64 -72.44 . . 0 "[ . 1 . 2]"
34 CHI1 1 14 PHE N 1 14 PHE CA 1 14 PHE CB 1 14 PHE CG -90.00 -150.00 -161.48 -160.67 -161.29 . . 0 "[ . 1 . 2]"
35 CHI1 1 14 PHE N 1 14 PHE CA 1 14 PHE CB 1 14 PHE CG 30.00 -30.00 -161.48 -160.67 -161.29 . . 0 "[ . 1 . 2]"
36 CHI1 1 14 PHE N 1 14 PHE CA 1 14 PHE CB 1 14 PHE CG 150.00 90.00 -161.48 -160.67 -161.29 . . 0 "[ . 1 . 2]"
37 CHI1 1 15 ILE N 1 15 ILE CA 1 15 ILE CB 1 15 ILE CG1 -90.00 -150.00 -46.52 -49.09 -43.06 . . 0 "[ . 1 . 2]"
38 CHI1 1 15 ILE N 1 15 ILE CA 1 15 ILE CB 1 15 ILE CG1 30.00 -30.00 -46.52 -49.09 -43.06 . . 0 "[ . 1 . 2]"
39 CHI1 1 15 ILE N 1 15 ILE CA 1 15 ILE CB 1 15 ILE CG1 150.00 90.00 -46.52 -49.09 -43.06 . . 0 "[ . 1 . 2]"
40 CHI21 1 15 ILE CA 1 15 ILE CB 1 15 ILE CG1 1 15 ILE CD1 -90.00 -150.00 159.23 153.87 165.55 . . 0 "[ . 1 . 2]"
41 CHI21 1 15 ILE CA 1 15 ILE CB 1 15 ILE CG1 1 15 ILE CD1 30.00 -30.00 159.23 153.87 165.55 . . 0 "[ . 1 . 2]"
42 CHI21 1 15 ILE CA 1 15 ILE CB 1 15 ILE CG1 1 15 ILE CD1 150.00 90.00 159.23 153.87 165.55 . . 0 "[ . 1 . 2]"
43 CHI1 1 16 ILE N 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 -90.00 -150.00 -48.82 -51.07 -45.82 . . 0 "[ . 1 . 2]"
44 CHI1 1 16 ILE N 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 30.00 -30.00 -48.82 -51.07 -45.82 . . 0 "[ . 1 . 2]"
45 CHI1 1 16 ILE N 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 150.00 90.00 -48.82 -51.07 -45.82 . . 0 "[ . 1 . 2]"
46 CHI21 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 1 16 ILE CD1 -90.00 -150.00 173.20 173.59 173.36 . . 0 "[ . 1 . 2]"
47 CHI21 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 1 16 ILE CD1 30.00 -30.00 173.20 173.59 173.36 . . 0 "[ . 1 . 2]"
48 CHI21 1 16 ILE CA 1 16 ILE CB 1 16 ILE CG1 1 16 ILE CD1 150.00 90.00 173.20 173.59 173.36 . . 0 "[ . 1 . 2]"
49 CHI1 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG -90.00 -150.00 163.33 161.57 169.34 . . 0 "[ . 1 . 2]"
50 CHI1 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 30.00 -30.00 163.33 161.57 169.34 . . 0 "[ . 1 . 2]"
51 CHI1 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 150.00 90.00 163.33 161.57 169.34 . . 0 "[ . 1 . 2]"
52 CHI2 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD -90.00 -150.00 153.44 155.25 153.92 . . 0 "[ . 1 . 2]"
53 CHI2 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 30.00 -30.00 153.44 155.25 153.92 . . 0 "[ . 1 . 2]"
54 CHI2 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 150.00 90.00 153.44 155.25 153.92 1.80 20 0 "[ . 1 . 2]"
55 CHI3 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 1 18 ARG NE -90.00 -150.00 -153.22 -148.88 -149.69 2.57 14 0 "[ . 1 . 2]"
56 CHI3 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 1 18 ARG NE 30.00 -30.00 -153.22 -148.88 -149.69 . . 0 "[ . 1 . 2]"
57 CHI3 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 1 18 ARG NE 150.00 90.00 -153.22 -148.88 -149.69 . . 0 "[ . 1 . 2]"
58 CHI1 1 19 VAL N 1 19 VAL CA 1 19 VAL CB 1 19 VAL CG1 -90.00 -150.00 159.24 158.73 158.06 . . 0 "[ . 1 . 2]"
59 CHI1 1 19 VAL N 1 19 VAL CA 1 19 VAL CB 1 19 VAL CG1 30.00 -30.00 159.24 158.73 158.06 . . 0 "[ . 1 . 2]"
60 CHI1 1 19 VAL N 1 19 VAL CA 1 19 VAL CB 1 19 VAL CG1 150.00 90.00 159.24 158.73 158.06 . . 0 "[ . 1 . 2]"
61 CHI1 1 20 ILE N 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 -90.00 -150.00 -45.37 -49.11 -43.62 . . 0 "[ . 1 . 2]"
62 CHI1 1 20 ILE N 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 30.00 -30.00 -45.37 -49.11 -43.62 . . 0 "[ . 1 . 2]"
63 CHI1 1 20 ILE N 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 150.00 90.00 -45.37 -49.11 -43.62 . . 0 "[ . 1 . 2]"
64 CHI21 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 1 20 ILE CD1 -90.00 -150.00 -64.48 -63.63 -64.66 . . 0 "[ . 1 . 2]"
65 CHI21 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 1 20 ILE CD1 30.00 -30.00 -64.48 -63.63 -64.66 . . 0 "[ . 1 . 2]"
66 CHI21 1 20 ILE CA 1 20 ILE CB 1 20 ILE CG1 1 20 ILE CD1 150.00 90.00 -64.48 -63.63 -64.66 . . 0 "[ . 1 . 2]"
67 CHI1 1 21 LYS N 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG -90.00 -150.00 -75.33 -77.16 -72.32 . . 0 "[ . 1 . 2]"
68 CHI1 1 21 LYS N 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG 30.00 -30.00 -75.33 -77.16 -72.32 . . 0 "[ . 1 . 2]"
69 CHI1 1 21 LYS N 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG 150.00 90.00 -75.33 -77.16 -72.32 . . 0 "[ . 1 . 2]"
70 CHI2 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG 1 21 LYS CD -90.00 -150.00 -90.39 -90.09 -90.50 1.76 12 0 "[ . 1 . 2]"
71 CHI2 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG 1 21 LYS CD 30.00 -30.00 -90.39 -90.09 -90.50 . . 0 "[ . 1 . 2]"
72 CHI2 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG 1 21 LYS CD 150.00 90.00 -90.39 -90.09 -90.50 . . 0 "[ . 1 . 2]"
73 CHI3 1 21 LYS CB 1 21 LYS CG 1 21 LYS CD 1 21 LYS CE -90.00 -150.00 136.23 150.83 94.93 . . 0 "[ . 1 . 2]"
74 CHI3 1 21 LYS CB 1 21 LYS CG 1 21 LYS CD 1 21 LYS CE 30.00 -30.00 136.23 150.83 94.93 . . 0 "[ . 1 . 2]"
75 CHI3 1 21 LYS CB 1 21 LYS CG 1 21 LYS CD 1 21 LYS CE 150.00 90.00 136.23 150.83 94.93 4.93 11 0 "[ . 1 . 2]"
76 CHI4 1 21 LYS CG 1 21 LYS CD 1 21 LYS CE 1 21 LYS NZ -90.00 -150.00 153.85 -176.51 179.10 . . 0 "[ . 1 . 2]"
77 CHI4 1 21 LYS CG 1 21 LYS CD 1 21 LYS CE 1 21 LYS NZ 30.00 -30.00 153.85 -176.51 179.10 . . 0 "[ . 1 . 2]"
78 CHI4 1 21 LYS CG 1 21 LYS CD 1 21 LYS CE 1 21 LYS NZ 150.00 90.00 153.85 -176.51 179.10 . . 0 "[ . 1 . 2]"
79 CHI1 1 23 MET N 1 23 MET CA 1 23 MET CB 1 23 MET CG -90.00 -150.00 -51.96 -57.16 -43.77 . . 0 "[ . 1 . 2]"
80 CHI1 1 23 MET N 1 23 MET CA 1 23 MET CB 1 23 MET CG 30.00 -30.00 -51.96 -57.16 -43.77 . . 0 "[ . 1 . 2]"
81 CHI1 1 23 MET N 1 23 MET CA 1 23 MET CB 1 23 MET CG 150.00 90.00 -51.96 -57.16 -43.77 . . 0 "[ . 1 . 2]"
82 CHI2 1 23 MET CA 1 23 MET CB 1 23 MET CG 1 23 MET SD -90.00 -150.00 -137.81 -162.88 -172.80 . . 0 "[ . 1 . 2]"
83 CHI2 1 23 MET CA 1 23 MET CB 1 23 MET CG 1 23 MET SD 30.00 -30.00 -137.81 -162.88 -172.80 . . 0 "[ . 1 . 2]"
84 CHI2 1 23 MET CA 1 23 MET CB 1 23 MET CG 1 23 MET SD 150.00 90.00 -137.81 -162.88 -172.80 . . 0 "[ . 1 . 2]"
85 CHI1 1 24 ASN N 1 24 ASN CA 1 24 ASN CB 1 24 ASN CG -90.00 -150.00 -86.83 -173.48 28.95 1.85 19 0 "[ . 1 . 2]"
86 CHI1 1 24 ASN N 1 24 ASN CA 1 24 ASN CB 1 24 ASN CG 30.00 -30.00 -86.83 -173.48 28.95 1.05 13 0 "[ . 1 . 2]"
87 CHI1 1 24 ASN N 1 24 ASN CA 1 24 ASN CB 1 24 ASN CG 150.00 90.00 -86.83 -173.48 28.95 . . 0 "[ . 1 . 2]"
88 CHI1 1 25 ASN N 1 25 ASN CA 1 25 ASN CB 1 25 ASN CG -90.00 -150.00 -73.66 -79.44 -32.35 . . 0 "[ . 1 . 2]"
89 CHI1 1 25 ASN N 1 25 ASN CA 1 25 ASN CB 1 25 ASN CG 30.00 -30.00 -73.66 -79.44 -32.35 . . 0 "[ . 1 . 2]"
90 CHI1 1 25 ASN N 1 25 ASN CA 1 25 ASN CB 1 25 ASN CG 150.00 90.00 -73.66 -79.44 -32.35 . . 0 "[ . 1 . 2]"
91 CHI1 1 26 SER N 1 26 SER CA 1 26 SER CB 1 26 SER OG -90.00 -150.00 55.98 53.07 52.51 . . 0 "[ . 1 . 2]"
92 CHI1 1 26 SER N 1 26 SER CA 1 26 SER CB 1 26 SER OG 30.00 -30.00 55.98 53.07 52.51 . . 0 "[ . 1 . 2]"
93 CHI1 1 26 SER N 1 26 SER CA 1 26 SER CB 1 26 SER OG 150.00 90.00 55.98 53.07 52.51 . . 0 "[ . 1 . 2]"
94 CHI1 1 27 TRP N 1 27 TRP CA 1 27 TRP CB 1 27 TRP CG -90.00 -150.00 -41.15 -42.84 -38.84 . . 0 "[ . 1 . 2]"
95 CHI1 1 27 TRP N 1 27 TRP CA 1 27 TRP CB 1 27 TRP CG 30.00 -30.00 -41.15 -42.84 -38.84 . . 0 "[ . 1 . 2]"
96 CHI1 1 27 TRP N 1 27 TRP CA 1 27 TRP CB 1 27 TRP CG 150.00 90.00 -41.15 -42.84 -38.84 . . 0 "[ . 1 . 2]"
97 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG -90.00 -150.00 -76.17 -76.58 -76.77 . . 0 "[ . 1 . 2]"
98 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 30.00 -30.00 -76.17 -76.58 -76.77 . . 0 "[ . 1 . 2]"
99 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG 150.00 90.00 -76.17 -76.58 -76.77 . . 0 "[ . 1 . 2]"
100 CHI1 1 30 GLU N 1 30 GLU CA 1 30 GLU CB 1 30 GLU CG -90.00 -150.00 65.82 56.14 72.81 . . 0 "[ . 1 . 2]"
101 CHI1 1 30 GLU N 1 30 GLU CA 1 30 GLU CB 1 30 GLU CG 30.00 -30.00 65.82 56.14 72.81 . . 0 "[ . 1 . 2]"
102 CHI1 1 30 GLU N 1 30 GLU CA 1 30 GLU CB 1 30 GLU CG 150.00 90.00 65.82 56.14 72.81 . . 0 "[ . 1 . 2]"
103 CHI2 1 30 GLU CA 1 30 GLU CB 1 30 GLU CG 1 30 GLU CD -90.00 -150.00 177.02 155.37 -155.98 . . 0 "[ . 1 . 2]"
104 CHI2 1 30 GLU CA 1 30 GLU CB 1 30 GLU CG 1 30 GLU CD 30.00 -30.00 177.02 155.37 -155.98 . . 0 "[ . 1 . 2]"
105 CHI2 1 30 GLU CA 1 30 GLU CB 1 30 GLU CG 1 30 GLU CD 150.00 90.00 177.02 155.37 -155.98 . . 0 "[ . 1 . 2]"
106 CHI1 1 31 CYS N 1 31 CYS CA 1 31 CYS CB 1 31 CYS SG -90.00 -150.00 -79.77 -78.02 -78.78 . . 0 "[ . 1 . 2]"
107 CHI1 1 31 CYS N 1 31 CYS CA 1 31 CYS CB 1 31 CYS SG 30.00 -30.00 -79.77 -78.02 -78.78 . . 0 "[ . 1 . 2]"
108 CHI1 1 31 CYS N 1 31 CYS CA 1 31 CYS CB 1 31 CYS SG 150.00 90.00 -79.77 -78.02 -78.78 . . 0 "[ . 1 . 2]"
109 CHI1 1 32 PHE N 1 32 PHE CA 1 32 PHE CB 1 32 PHE CG -90.00 -150.00 -161.70 -167.88 -154.97 . . 0 "[ . 1 . 2]"
110 CHI1 1 32 PHE N 1 32 PHE CA 1 32 PHE CB 1 32 PHE CG 30.00 -30.00 -161.70 -167.88 -154.97 . . 0 "[ . 1 . 2]"
111 CHI1 1 32 PHE N 1 32 PHE CA 1 32 PHE CB 1 32 PHE CG 150.00 90.00 -161.70 -167.88 -154.97 . . 0 "[ . 1 . 2]"
112 CHI1 1 33 ARG N 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG -90.00 -150.00 -63.45 -53.86 -55.53 . . 0 "[ . 1 . 2]"
113 CHI1 1 33 ARG N 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 30.00 -30.00 -63.45 -53.86 -55.53 . . 0 "[ . 1 . 2]"
114 CHI1 1 33 ARG N 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 150.00 90.00 -63.45 -53.86 -55.53 . . 0 "[ . 1 . 2]"
115 CHI2 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD -90.00 -150.00 -170.34 -173.23 -177.55 . . 0 "[ . 1 . 2]"
116 CHI2 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 30.00 -30.00 -170.34 -173.23 -177.55 . . 0 "[ . 1 . 2]"
117 CHI2 1 33 ARG CA 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 150.00 90.00 -170.34 -173.23 -177.55 . . 0 "[ . 1 . 2]"
118 CHI3 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 1 33 ARG NE -90.00 -150.00 136.19 92.13 90.52 . . 0 "[ . 1 . 2]"
119 CHI3 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 1 33 ARG NE 30.00 -30.00 136.19 92.13 90.52 . . 0 "[ . 1 . 2]"
120 CHI3 1 33 ARG CB 1 33 ARG CG 1 33 ARG CD 1 33 ARG NE 150.00 90.00 136.19 92.13 90.52 3.17 4 0 "[ . 1 . 2]"
121 CHI1 1 34 CYS N 1 34 CYS CA 1 34 CYS CB 1 34 CYS SG -90.00 -150.00 -166.24 -164.77 -164.95 . . 0 "[ . 1 . 2]"
122 CHI1 1 34 CYS N 1 34 CYS CA 1 34 CYS CB 1 34 CYS SG 30.00 -30.00 -166.24 -164.77 -164.95 . . 0 "[ . 1 . 2]"
123 CHI1 1 34 CYS N 1 34 CYS CA 1 34 CYS CB 1 34 CYS SG 150.00 90.00 -166.24 -164.77 -164.95 . . 0 "[ . 1 . 2]"
124 CHI1 1 35 ASP N 1 35 ASP CA 1 35 ASP CB 1 35 ASP CG -90.00 -150.00 -162.52 -177.41 -149.69 0.31 15 0 "[ . 1 . 2]"
125 CHI1 1 35 ASP N 1 35 ASP CA 1 35 ASP CB 1 35 ASP CG 30.00 -30.00 -162.52 -177.41 -149.69 . . 0 "[ . 1 . 2]"
126 CHI1 1 35 ASP N 1 35 ASP CA 1 35 ASP CB 1 35 ASP CG 150.00 90.00 -162.52 -177.41 -149.69 . . 0 "[ . 1 . 2]"
127 CHI1 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG -90.00 -150.00 -67.75 -66.80 -67.47 . . 0 "[ . 1 . 2]"
128 CHI1 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 30.00 -30.00 -67.75 -66.80 -67.47 . . 0 "[ . 1 . 2]"
129 CHI1 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 150.00 90.00 -67.75 -66.80 -67.47 . . 0 "[ . 1 . 2]"
130 CHI2 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 -90.00 -150.00 152.91 149.27 159.30 . . 0 "[ . 1 . 2]"
131 CHI2 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 30.00 -30.00 152.91 149.27 159.30 . . 0 "[ . 1 . 2]"
132 CHI2 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 150.00 90.00 152.91 149.27 159.30 0.73 11 0 "[ . 1 . 2]"
133 CHI1 1 37 CYS N 1 37 CYS CA 1 37 CYS CB 1 37 CYS SG -90.00 -150.00 67.30 68.50 68.41 . . 0 "[ . 1 . 2]"
134 CHI1 1 37 CYS N 1 37 CYS CA 1 37 CYS CB 1 37 CYS SG 30.00 -30.00 67.30 68.50 68.41 . . 0 "[ . 1 . 2]"
135 CHI1 1 37 CYS N 1 37 CYS CA 1 37 CYS CB 1 37 CYS SG 150.00 90.00 67.30 68.50 68.41 . . 0 "[ . 1 . 2]"
136 CHI1 1 38 GLN N 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG -90.00 -150.00 -52.63 -56.73 -42.96 . . 0 "[ . 1 . 2]"
137 CHI1 1 38 GLN N 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 30.00 -30.00 -52.63 -56.73 -42.96 . . 0 "[ . 1 . 2]"
138 CHI1 1 38 GLN N 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 150.00 90.00 -52.63 -56.73 -42.96 . . 0 "[ . 1 . 2]"
139 CHI2 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 1 38 GLN CD -90.00 -150.00 -91.48 -91.52 -91.67 5.19 18 1 "[ . 1 . + 2]"
140 CHI2 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 1 38 GLN CD 30.00 -30.00 -91.48 -91.52 -91.67 . . 0 "[ . 1 . 2]"
141 CHI2 1 38 GLN CA 1 38 GLN CB 1 38 GLN CG 1 38 GLN CD 150.00 90.00 -91.48 -91.52 -91.67 . . 0 "[ . 1 . 2]"
142 CHI1 1 39 GLU N 1 39 GLU CA 1 39 GLU CB 1 39 GLU CG -90.00 -150.00 169.43 170.02 169.53 . . 0 "[ . 1 . 2]"
143 CHI1 1 39 GLU N 1 39 GLU CA 1 39 GLU CB 1 39 GLU CG 30.00 -30.00 169.43 170.02 169.53 . . 0 "[ . 1 . 2]"
144 CHI1 1 39 GLU N 1 39 GLU CA 1 39 GLU CB 1 39 GLU CG 150.00 90.00 169.43 170.02 169.53 . . 0 "[ . 1 . 2]"
145 CHI2 1 39 GLU CA 1 39 GLU CB 1 39 GLU CG 1 39 GLU CD -90.00 -150.00 155.64 156.98 155.62 . . 0 "[ . 1 . 2]"
146 CHI2 1 39 GLU CA 1 39 GLU CB 1 39 GLU CG 1 39 GLU CD 30.00 -30.00 155.64 156.98 155.62 . . 0 "[ . 1 . 2]"
147 CHI2 1 39 GLU CA 1 39 GLU CB 1 39 GLU CG 1 39 GLU CD 150.00 90.00 155.64 156.98 155.62 . . 0 "[ . 1 . 2]"
148 CHI1 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 -90.00 -150.00 -178.01 178.95 -168.82 . . 0 "[ . 1 . 2]"
149 CHI1 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 30.00 -30.00 -178.01 178.95 -168.82 . . 0 "[ . 1 . 2]"
150 CHI1 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 150.00 90.00 -178.01 178.95 -168.82 . . 0 "[ . 1 . 2]"
151 CHI1 1 41 LEU N 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG -90.00 -150.00 -32.43 -36.75 -28.81 . . 0 "[ . 1 . 2]"
152 CHI1 1 41 LEU N 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 30.00 -30.00 -32.43 -36.75 -28.81 1.19 1 0 "[ . 1 . 2]"
153 CHI1 1 41 LEU N 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 150.00 90.00 -32.43 -36.75 -28.81 . . 0 "[ . 1 . 2]"
154 CHI2 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 1 41 LEU CD1 -90.00 -150.00 156.33 157.33 154.34 . . 0 "[ . 1 . 2]"
155 CHI2 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 1 41 LEU CD1 30.00 -30.00 156.33 157.33 154.34 . . 0 "[ . 1 . 2]"
156 CHI2 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG 1 41 LEU CD1 150.00 90.00 156.33 157.33 154.34 . . 0 "[ . 1 . 2]"
157 CHI1 1 43 ASP N 1 43 ASP CA 1 43 ASP CB 1 43 ASP CG -90.00 -150.00 -102.31 -157.15 -41.87 . . 0 "[ . 1 . 2]"
158 CHI1 1 43 ASP N 1 43 ASP CA 1 43 ASP CB 1 43 ASP CG 30.00 -30.00 -102.31 -157.15 -41.87 . . 0 "[ . 1 . 2]"
159 CHI1 1 43 ASP N 1 43 ASP CA 1 43 ASP CB 1 43 ASP CG 150.00 90.00 -102.31 -157.15 -41.87 . . 0 "[ . 1 . 2]"
160 CHI1 1 44 ILE N 1 44 ILE CA 1 44 ILE CB 1 44 ILE CG1 -90.00 -150.00 62.48 57.53 67.67 . . 0 "[ . 1 . 2]"
161 CHI1 1 44 ILE N 1 44 ILE CA 1 44 ILE CB 1 44 ILE CG1 30.00 -30.00 62.48 57.53 67.67 . . 0 "[ . 1 . 2]"
162 CHI1 1 44 ILE N 1 44 ILE CA 1 44 ILE CB 1 44 ILE CG1 150.00 90.00 62.48 57.53 67.67 . . 0 "[ . 1 . 2]"
163 CHI21 1 44 ILE CA 1 44 ILE CB 1 44 ILE CG1 1 44 ILE CD1 -90.00 -150.00 165.07 151.48 176.94 . . 0 "[ . 1 . 2]"
164 CHI21 1 44 ILE CA 1 44 ILE CB 1 44 ILE CG1 1 44 ILE CD1 30.00 -30.00 165.07 151.48 176.94 . . 0 "[ . 1 . 2]"
165 CHI21 1 44 ILE CA 1 44 ILE CB 1 44 ILE CG1 1 44 ILE CD1 150.00 90.00 165.07 151.48 176.94 . . 0 "[ . 1 . 2]"
166 CHI1 1 46 PHE N 1 46 PHE CA 1 46 PHE CB 1 46 PHE CG -90.00 -150.00 69.09 61.62 80.13 . . 0 "[ . 1 . 2]"
167 CHI1 1 46 PHE N 1 46 PHE CA 1 46 PHE CB 1 46 PHE CG 30.00 -30.00 69.09 61.62 80.13 . . 0 "[ . 1 . 2]"
168 CHI1 1 46 PHE N 1 46 PHE CA 1 46 PHE CB 1 46 PHE CG 150.00 90.00 69.09 61.62 80.13 . . 0 "[ . 1 . 2]"
169 CHI1 1 47 VAL N 1 47 VAL CA 1 47 VAL CB 1 47 VAL CG1 -90.00 -150.00 -176.86 -179.72 -172.33 . . 0 "[ . 1 . 2]"
170 CHI1 1 47 VAL N 1 47 VAL CA 1 47 VAL CB 1 47 VAL CG1 30.00 -30.00 -176.86 -179.72 -172.33 . . 0 "[ . 1 . 2]"
171 CHI1 1 47 VAL N 1 47 VAL CA 1 47 VAL CB 1 47 VAL CG1 150.00 90.00 -176.86 -179.72 -172.33 . . 0 "[ . 1 . 2]"
172 CHI1 1 48 LYS N 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG -90.00 -150.00 -93.44 -97.67 -91.98 7.67 19 3 "[ . 1 - . +*]"
173 CHI1 1 48 LYS N 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG 30.00 -30.00 -93.44 -97.67 -91.98 . . 0 "[ . 1 . 2]"
174 CHI1 1 48 LYS N 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG 150.00 90.00 -93.44 -97.67 -91.98 . . 0 "[ . 1 . 2]"
175 CHI2 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG 1 48 LYS CD -90.00 -150.00 -72.68 -71.64 -71.69 . . 0 "[ . 1 . 2]"
176 CHI2 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG 1 48 LYS CD 30.00 -30.00 -72.68 -71.64 -71.69 . . 0 "[ . 1 . 2]"
177 CHI2 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG 1 48 LYS CD 150.00 90.00 -72.68 -71.64 -71.69 . . 0 "[ . 1 . 2]"
178 CHI3 1 48 LYS CB 1 48 LYS CG 1 48 LYS CD 1 48 LYS CE -90.00 -150.00 -79.60 -92.47 -69.63 2.47 13 0 "[ . 1 . 2]"
179 CHI3 1 48 LYS CB 1 48 LYS CG 1 48 LYS CD 1 48 LYS CE 30.00 -30.00 -79.60 -92.47 -69.63 . . 0 "[ . 1 . 2]"
180 CHI3 1 48 LYS CB 1 48 LYS CG 1 48 LYS CD 1 48 LYS CE 150.00 90.00 -79.60 -92.47 -69.63 . . 0 "[ . 1 . 2]"
181 CHI4 1 48 LYS CG 1 48 LYS CD 1 48 LYS CE 1 48 LYS NZ -90.00 -150.00 -74.93 -151.85 93.02 . . 0 "[ . 1 . 2]"
182 CHI4 1 48 LYS CG 1 48 LYS CD 1 48 LYS CE 1 48 LYS NZ 30.00 -30.00 -74.93 -151.85 93.02 . . 0 "[ . 1 . 2]"
183 CHI4 1 48 LYS CG 1 48 LYS CD 1 48 LYS CE 1 48 LYS NZ 150.00 90.00 -74.93 -151.85 93.02 3.02 19 0 "[ . 1 . 2]"
184 CHI1 1 49 ASN N 1 49 ASN CA 1 49 ASN CB 1 49 ASN CG -90.00 -150.00 -162.93 173.72 -149.76 0.24 5 0 "[ . 1 . 2]"
185 CHI1 1 49 ASN N 1 49 ASN CA 1 49 ASN CB 1 49 ASN CG 30.00 -30.00 -162.93 173.72 -149.76 . . 0 "[ . 1 . 2]"
186 CHI1 1 49 ASN N 1 49 ASN CA 1 49 ASN CB 1 49 ASN CG 150.00 90.00 -162.93 173.72 -149.76 . . 0 "[ . 1 . 2]"
187 CHI1 1 52 ARG N 1 52 ARG CA 1 52 ARG CB 1 52 ARG CG -90.00 -150.00 -57.40 -58.73 -59.39 . . 0 "[ . 1 . 2]"
188 CHI1 1 52 ARG N 1 52 ARG CA 1 52 ARG CB 1 52 ARG CG 30.00 -30.00 -57.40 -58.73 -59.39 . . 0 "[ . 1 . 2]"
189 CHI1 1 52 ARG N 1 52 ARG CA 1 52 ARG CB 1 52 ARG CG 150.00 90.00 -57.40 -58.73 -59.39 . . 0 "[ . 1 . 2]"
190 CHI2 1 52 ARG CA 1 52 ARG CB 1 52 ARG CG 1 52 ARG CD -90.00 -150.00 164.20 154.95 169.00 . . 0 "[ . 1 . 2]"
191 CHI2 1 52 ARG CA 1 52 ARG CB 1 52 ARG CG 1 52 ARG CD 30.00 -30.00 164.20 154.95 169.00 . . 0 "[ . 1 . 2]"
192 CHI2 1 52 ARG CA 1 52 ARG CB 1 52 ARG CG 1 52 ARG CD 150.00 90.00 164.20 154.95 169.00 . . 0 "[ . 1 . 2]"
193 CHI3 1 52 ARG CB 1 52 ARG CG 1 52 ARG CD 1 52 ARG NE -90.00 -150.00 -164.67 -162.88 -163.17 . . 0 "[ . 1 . 2]"
194 CHI3 1 52 ARG CB 1 52 ARG CG 1 52 ARG CD 1 52 ARG NE 30.00 -30.00 -164.67 -162.88 -163.17 . . 0 "[ . 1 . 2]"
195 CHI3 1 52 ARG CB 1 52 ARG CG 1 52 ARG CD 1 52 ARG NE 150.00 90.00 -164.67 -162.88 -163.17 . . 0 "[ . 1 . 2]"
196 CHI1 1 53 HIS N 1 53 HIS CA 1 53 HIS CB 1 53 HIS CG -90.00 -150.00 49.01 31.80 60.52 . . 0 "[ . 1 . 2]"
197 CHI1 1 53 HIS N 1 53 HIS CA 1 53 HIS CB 1 53 HIS CG 30.00 -30.00 49.01 31.80 60.52 . . 0 "[ . 1 . 2]"
198 CHI1 1 53 HIS N 1 53 HIS CA 1 53 HIS CB 1 53 HIS CG 150.00 90.00 49.01 31.80 60.52 . . 0 "[ . 1 . 2]"
199 CHI1 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG -90.00 -150.00 -32.85 -36.63 -28.57 . . 0 "[ . 1 . 2]"
200 CHI1 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 30.00 -30.00 -32.85 -36.63 -28.57 1.43 16 0 "[ . 1 . 2]"
201 CHI1 1 54 LEU N 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 150.00 90.00 -32.85 -36.63 -28.57 . . 0 "[ . 1 . 2]"
202 CHI2 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD1 -90.00 -150.00 168.15 168.00 167.15 . . 0 "[ . 1 . 2]"
203 CHI2 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD1 30.00 -30.00 168.15 168.00 167.15 . . 0 "[ . 1 . 2]"
204 CHI2 1 54 LEU CA 1 54 LEU CB 1 54 LEU CG 1 54 LEU CD1 150.00 90.00 168.15 168.00 167.15 . . 0 "[ . 1 . 2]"
205 CHI1 1 55 CYS N 1 55 CYS CA 1 55 CYS CB 1 55 CYS SG -90.00 -150.00 68.51 68.94 68.80 . . 0 "[ . 1 . 2]"
206 CHI1 1 55 CYS N 1 55 CYS CA 1 55 CYS CB 1 55 CYS SG 30.00 -30.00 68.51 68.94 68.80 . . 0 "[ . 1 . 2]"
207 CHI1 1 55 CYS N 1 55 CYS CA 1 55 CYS CB 1 55 CYS SG 150.00 90.00 68.51 68.94 68.80 . . 0 "[ . 1 . 2]"
208 CHI1 1 56 ARG N 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG -90.00 -150.00 -98.99 -97.94 -98.44 10.13 1 20 [+**************-****]
209 CHI1 1 56 ARG N 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 30.00 -30.00 -98.99 -97.94 -98.44 . . 0 "[ . 1 . 2]"
210 CHI1 1 56 ARG N 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 150.00 90.00 -98.99 -97.94 -98.44 . . 0 "[ . 1 . 2]"
211 CHI2 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD -90.00 -150.00 -129.99 73.42 -67.55 3.36 4 0 "[ . 1 . 2]"
212 CHI2 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 30.00 -30.00 -129.99 73.42 -67.55 . . 0 "[ . 1 . 2]"
213 CHI2 1 56 ARG CA 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 150.00 90.00 -129.99 73.42 -67.55 . . 0 "[ . 1 . 2]"
214 CHI3 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 1 56 ARG NE -90.00 -150.00 -133.20 -52.65 -75.95 2.09 7 0 "[ . 1 . 2]"
215 CHI3 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 1 56 ARG NE 30.00 -30.00 -133.20 -52.65 -75.95 . . 0 "[ . 1 . 2]"
216 CHI3 1 56 ARG CB 1 56 ARG CG 1 56 ARG CD 1 56 ARG NE 150.00 90.00 -133.20 -52.65 -75.95 5.63 16 1 "[ . 1 .+ 2]"
217 CHI1 1 58 CYS N 1 58 CYS CA 1 58 CYS CB 1 58 CYS SG -90.00 -150.00 -62.89 -65.11 -61.56 . . 0 "[ . 1 . 2]"
218 CHI1 1 58 CYS N 1 58 CYS CA 1 58 CYS CB 1 58 CYS SG 30.00 -30.00 -62.89 -65.11 -61.56 . . 0 "[ . 1 . 2]"
219 CHI1 1 58 CYS N 1 58 CYS CA 1 58 CYS CB 1 58 CYS SG 150.00 90.00 -62.89 -65.11 -61.56 . . 0 "[ . 1 . 2]"
220 CHI1 1 59 HIS N 1 59 HIS CA 1 59 HIS CB 1 59 HIS CG -90.00 -150.00 172.97 164.16 159.21 . . 0 "[ . 1 . 2]"
221 CHI1 1 59 HIS N 1 59 HIS CA 1 59 HIS CB 1 59 HIS CG 30.00 -30.00 172.97 164.16 159.21 . . 0 "[ . 1 . 2]"
222 CHI1 1 59 HIS N 1 59 HIS CA 1 59 HIS CB 1 59 HIS CG 150.00 90.00 172.97 164.16 159.21 . . 0 "[ . 1 . 2]"
223 CHI1 1 60 ASN N 1 60 ASN CA 1 60 ASN CB 1 60 ASN CG -90.00 -150.00 -84.90 -90.03 -78.35 0.03 4 0 "[ . 1 . 2]"
224 CHI1 1 60 ASN N 1 60 ASN CA 1 60 ASN CB 1 60 ASN CG 30.00 -30.00 -84.90 -90.03 -78.35 . . 0 "[ . 1 . 2]"
225 CHI1 1 60 ASN N 1 60 ASN CA 1 60 ASN CB 1 60 ASN CG 150.00 90.00 -84.90 -90.03 -78.35 . . 0 "[ . 1 . 2]"
226 CHI1 1 61 ARG N 1 61 ARG CA 1 61 ARG CB 1 61 ARG CG -90.00 -150.00 -66.63 91.11 -63.93 . . 0 "[ . 1 . 2]"
227 CHI1 1 61 ARG N 1 61 ARG CA 1 61 ARG CB 1 61 ARG CG 30.00 -30.00 -66.63 91.11 -63.93 . . 0 "[ . 1 . 2]"
228 CHI1 1 61 ARG N 1 61 ARG CA 1 61 ARG CB 1 61 ARG CG 150.00 90.00 -66.63 91.11 -63.93 2.59 19 0 "[ . 1 . 2]"
229 CHI2 1 61 ARG CA 1 61 ARG CB 1 61 ARG CG 1 61 ARG CD -90.00 -150.00 173.41 174.91 171.00 . . 0 "[ . 1 . 2]"
230 CHI2 1 61 ARG CA 1 61 ARG CB 1 61 ARG CG 1 61 ARG CD 30.00 -30.00 173.41 174.91 171.00 . . 0 "[ . 1 . 2]"
231 CHI2 1 61 ARG CA 1 61 ARG CB 1 61 ARG CG 1 61 ARG CD 150.00 90.00 173.41 174.91 171.00 . . 0 "[ . 1 . 2]"
232 CHI3 1 61 ARG CB 1 61 ARG CG 1 61 ARG CD 1 61 ARG NE -90.00 -150.00 171.76 -90.40 -152.91 0.40 2 0 "[ . 1 . 2]"
233 CHI3 1 61 ARG CB 1 61 ARG CG 1 61 ARG CD 1 61 ARG NE 30.00 -30.00 171.76 -90.40 -152.91 . . 0 "[ . 1 . 2]"
234 CHI3 1 61 ARG CB 1 61 ARG CG 1 61 ARG CD 1 61 ARG NE 150.00 90.00 171.76 -90.40 -152.91 . . 0 "[ . 1 . 2]"
235 CHI1 1 62 GLU N 1 62 GLU CA 1 62 GLU CB 1 62 GLU CG -90.00 -150.00 -41.08 -43.22 -43.66 . . 0 "[ . 1 . 2]"
236 CHI1 1 62 GLU N 1 62 GLU CA 1 62 GLU CB 1 62 GLU CG 30.00 -30.00 -41.08 -43.22 -43.66 . . 0 "[ . 1 . 2]"
237 CHI1 1 62 GLU N 1 62 GLU CA 1 62 GLU CB 1 62 GLU CG 150.00 90.00 -41.08 -43.22 -43.66 . . 0 "[ . 1 . 2]"
238 CHI2 1 62 GLU CA 1 62 GLU CB 1 62 GLU CG 1 62 GLU CD -90.00 -150.00 -93.09 -81.56 -83.84 0.02 7 0 "[ . 1 . 2]"
239 CHI2 1 62 GLU CA 1 62 GLU CB 1 62 GLU CG 1 62 GLU CD 30.00 -30.00 -93.09 -81.56 -83.84 . . 0 "[ . 1 . 2]"
240 CHI2 1 62 GLU CA 1 62 GLU CB 1 62 GLU CG 1 62 GLU CD 150.00 90.00 -93.09 -81.56 -83.84 0.38 19 0 "[ . 1 . 2]"
241 CHI1 1 63 LYS N 1 63 LYS CA 1 63 LYS CB 1 63 LYS CG -90.00 -150.00 69.10 55.89 81.04 . . 0 "[ . 1 . 2]"
242 CHI1 1 63 LYS N 1 63 LYS CA 1 63 LYS CB 1 63 LYS CG 30.00 -30.00 69.10 55.89 81.04 . . 0 "[ . 1 . 2]"
243 CHI1 1 63 LYS N 1 63 LYS CA 1 63 LYS CB 1 63 LYS CG 150.00 90.00 69.10 55.89 81.04 . . 0 "[ . 1 . 2]"
244 CHI2 1 63 LYS CA 1 63 LYS CB 1 63 LYS CG 1 63 LYS CD -90.00 -150.00 160.71 -173.79 165.63 . . 0 "[ . 1 . 2]"
245 CHI2 1 63 LYS CA 1 63 LYS CB 1 63 LYS CG 1 63 LYS CD 30.00 -30.00 160.71 -173.79 165.63 . . 0 "[ . 1 . 2]"
246 CHI2 1 63 LYS CA 1 63 LYS CB 1 63 LYS CG 1 63 LYS CD 150.00 90.00 160.71 -173.79 165.63 2.56 10 0 "[ . 1 . 2]"
247 CHI3 1 63 LYS CB 1 63 LYS CG 1 63 LYS CD 1 63 LYS CE -90.00 -150.00 9.40 -85.07 -148.45 1.55 1 0 "[ . 1 . 2]"
248 CHI3 1 63 LYS CB 1 63 LYS CG 1 63 LYS CD 1 63 LYS CE 30.00 -30.00 9.40 -85.07 -148.45 . . 0 "[ . 1 . 2]"
249 CHI3 1 63 LYS CB 1 63 LYS CG 1 63 LYS CD 1 63 LYS CE 150.00 90.00 9.40 -85.07 -148.45 . . 0 "[ . 1 . 2]"
250 CHI4 1 63 LYS CG 1 63 LYS CD 1 63 LYS CE 1 63 LYS NZ -90.00 -150.00 -139.47 -88.33 -152.84 . . 0 "[ . 1 . 2]"
251 CHI4 1 63 LYS CG 1 63 LYS CD 1 63 LYS CE 1 63 LYS NZ 30.00 -30.00 -139.47 -88.33 -152.84 . . 0 "[ . 1 . 2]"
252 CHI4 1 63 LYS CG 1 63 LYS CD 1 63 LYS CE 1 63 LYS NZ 150.00 90.00 -139.47 -88.33 -152.84 . . 0 "[ . 1 . 2]"
253 CHI1 1 65 SER N 1 65 SER CA 1 65 SER CB 1 65 SER OG -90.00 -150.00 -123.57 -71.06 -75.71 . . 0 "[ . 1 . 2]"
254 CHI1 1 65 SER N 1 65 SER CA 1 65 SER CB 1 65 SER OG 30.00 -30.00 -123.57 -71.06 -75.71 . . 0 "[ . 1 . 2]"
255 CHI1 1 65 SER N 1 65 SER CA 1 65 SER CB 1 65 SER OG 150.00 90.00 -123.57 -71.06 -75.71 . . 0 "[ . 1 . 2]"
256 CHI1 1 68 SER N 1 68 SER CA 1 68 SER CB 1 68 SER OG -90.00 -150.00 -127.30 176.80 67.96 . . 0 "[ . 1 . 2]"
257 CHI1 1 68 SER N 1 68 SER CA 1 68 SER CB 1 68 SER OG 30.00 -30.00 -127.30 176.80 67.96 . . 0 "[ . 1 . 2]"
258 CHI1 1 68 SER N 1 68 SER CA 1 68 SER CB 1 68 SER OG 150.00 90.00 -127.30 176.80 67.96 . . 0 "[ . 1 . 2]"
259 CHI1 1 69 SER N 1 69 SER CA 1 69 SER CB 1 69 SER OG -90.00 -150.00 -132.68 -178.51 179.58 . . 0 "[ . 1 . 2]"
260 CHI1 1 69 SER N 1 69 SER CA 1 69 SER CB 1 69 SER OG 30.00 -30.00 -132.68 -178.51 179.58 . . 0 "[ . 1 . 2]"
261 CHI1 1 69 SER N 1 69 SER CA 1 69 SER CB 1 69 SER OG 150.00 90.00 -132.68 -178.51 179.58 . . 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 8
_TA_constraint_stats_list.Viol_count 0
_TA_constraint_stats_list.Viol_total 0.00
_TA_constraint_stats_list.Viol_max 0.00
_TA_constraint_stats_list.Viol_rms 0.00
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.00
_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 CHI1 1 8 CYS N 1 8 CYS CA 1 8 CYS CB 1 8 CYS SG 150.00 -150.00 165.47 166.63 165.34 . . 0 "[ . 1 . 2]"
2 CHI1 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 30.00 90.00 62.13 59.97 64.68 . . 0 "[ . 1 . 2]"
3 CHI1 1 28 HIS N 1 28 HIS CA 1 28 HIS CB 1 28 HIS CG -90.00 -30.00 -76.17 -76.58 -76.77 . . 0 "[ . 1 . 2]"
4 CHI1 1 31 CYS N 1 31 CYS CA 1 31 CYS CB 1 31 CYS SG -90.00 -30.00 -79.77 -78.02 -78.78 . . 0 "[ . 1 . 2]"
5 CHI1 1 34 CYS N 1 34 CYS CA 1 34 CYS CB 1 34 CYS SG 150.00 -150.00 -166.24 -164.77 -164.95 . . 0 "[ . 1 . 2]"
6 CHI1 1 37 CYS N 1 37 CYS CA 1 37 CYS CB 1 37 CYS SG 30.00 90.00 67.30 68.50 68.41 . . 0 "[ . 1 . 2]"
7 CHI1 1 55 CYS N 1 55 CYS CA 1 55 CYS CB 1 55 CYS SG 30.00 90.00 68.51 68.94 68.80 . . 0 "[ . 1 . 2]"
8 CHI1 1 58 CYS N 1 58 CYS CA 1 58 CYS CB 1 58 CYS SG -90.00 -30.00 -62.89 -65.11 -61.56 . . 0 "[ . 1 . 2]"
stop_
save_
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