NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535724 |
2wwv   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2wwv
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 153
_TA_constraint_stats_list.Viol_count 928
_TA_constraint_stats_list.Viol_total 1431132.50
_TA_constraint_stats_list.Viol_max 97.10
_TA_constraint_stats_list.Viol_rms 8.07
_TA_constraint_stats_list.Viol_average_all_restraints 1.13
_TA_constraint_stats_list.Viol_average_violations_only 16.95
_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 59 ILE C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -85.00 -45.00 -65.69 -65.71 -65.71 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
2 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 GLY N -70.00 -10.00 -40.03 -40.01 -40.01 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
3 . 1 61 GLY C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -90.00 -30.00 -67.38 -78.90 -28.23 1.77 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
4 . 1 62 ASP C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -160.00 -40.00 -73.27 -160.18 -43.31 0.18 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
5 . 1 63 ALA C 1 64 GLY N 1 64 GLY CA 1 64 GLY C 50.00 130.00 74.64 49.05 131.08 1.08 91 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
6 . 1 64 GLY C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -140.00 -40.00 -68.12 -64.47 -64.63 0.97 76 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
7 . 1 65 GLU C 1 66 GLY N 1 66 GLY CA 1 66 GLY C -170.00 -10.00 -98.28 -171.14 -26.83 1.14 61 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
8 . 1 66 GLY C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -90.00 -30.00 -69.54 -92.01 -29.77 2.01 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
9 . 1 67 LYS C 1 68 MET N 1 68 MET CA 1 68 MET C -105.00 -45.00 -65.13 -107.18 -45.27 2.18 73 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
10 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 LYS N -55.00 5.00 -25.67 -40.99 3.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
11 . 1 68 MET C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -120.00 -40.00 -62.91 -105.32 -38.67 1.33 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
12 . 1 69 LYS C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -160.00 -100.00 -126.47 -133.42 -99.88 0.12 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
13 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 SER N 135.00 -165.00 164.70 147.61 175.15 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
14 . 1 70 VAL C 1 71 SER N 1 71 SER CA 1 71 SER C -120.00 -60.00 -60.36 -71.22 -57.73 2.27 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
15 . 1 71 SER N 1 71 SER CA 1 71 SER C 1 72 LEU N 110.00 170.00 131.13 131.39 131.12 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
16 . 1 71 SER C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -80.00 -40.00 -64.47 -65.79 -63.64 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
17 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 VAL N -60.00 -20.00 -40.58 -40.66 -40.51 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
18 . 1 72 LEU C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -80.00 -40.00 -60.07 -60.04 -60.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
19 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 LEU N -60.00 -20.00 -19.84 -19.92 -19.77 0.23 78 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
20 . 1 73 VAL C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -80.00 -40.00 -58.03 -58.03 -58.03 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
21 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 VAL N -60.00 -20.00 -52.49 -52.56 -52.41 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
22 . 1 74 LEU C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -80.00 -40.00 -59.52 -59.63 -59.45 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
23 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 GLU N -50.00 -10.00 -44.47 -44.50 -44.50 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
24 . 1 75 VAL C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -80.00 -40.00 -57.29 -57.35 -57.21 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
25 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ALA N -50.00 -10.00 -46.19 -46.19 -46.19 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
26 . 1 76 GLU C 1 77 ALA N 1 77 ALA CA 1 77 ALA C -80.00 -40.00 -63.54 -63.58 -63.58 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
27 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 GLN N -50.00 -10.00 -41.25 -41.36 -41.15 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
28 . 1 5 GLU N 1 5 GLU CA 1 5 GLU CB 1 5 GLU CG 160.00 -40.00 -172.72 -174.73 -174.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
29 . 1 6 GLU N 1 6 GLU CA 1 6 GLU CB 1 6 GLU CG 160.00 -40.00 -142.38 -103.29 -147.18 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
30 . 1 8 VAL N 1 8 VAL CA 1 8 VAL CB 1 8 VAL CG1 155.00 -155.00 171.02 172.89 172.82 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
31 . 1 9 MET N 1 9 MET CA 1 9 MET CB 1 9 MET CG -85.00 -35.00 -78.66 -82.67 -67.01 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
32 . 1 9 MET CA 1 9 MET CB 1 9 MET CG 1 9 MET SD 155.00 -155.00 -173.28 -165.54 -175.02 1.82 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
33 . 1 12 ILE N 1 12 ILE CA 1 12 ILE CB 1 12 ILE CG1 -80.00 -40.00 -59.82 -64.30 -58.34 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
34 . 1 12 ILE CA 1 12 ILE CB 1 12 ILE CG1 1 12 ILE CD1 -85.00 -35.00 -83.20 -83.80 -83.84 0.14 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
35 . 1 13 ILE N 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 -95.00 -25.00 -68.32 -70.38 -67.04 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
36 . 1 13 ILE CA 1 13 ILE CB 1 13 ILE CG1 1 13 ILE CD1 -95.00 -25.00 -85.04 -92.89 -79.49 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
37 . 1 15 SER N 1 15 SER CA 1 15 SER CB 1 15 SER OG 40.00 80.00 73.76 74.02 73.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
38 . 1 17 GLN N 1 17 GLN CA 1 17 GLN CB 1 17 GLN CG 160.00 -40.00 -142.03 -99.94 -160.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
39 . 1 19 ARG N 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG 155.00 -155.00 -176.16 -176.16 -176.16 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
40 . 1 20 SER N 1 20 SER CA 1 20 SER CB 1 20 SER OG 160.00 -160.00 175.54 164.98 -160.42 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
41 . 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG -80.00 -40.00 -69.47 -69.37 -69.38 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
42 . 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG 1 21 LEU CD1 155.00 -155.00 169.79 169.53 169.50 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
43 . 1 23 TYR N 1 23 TYR CA 1 23 TYR CB 1 23 TYR CG 160.00 -160.00 176.43 176.47 176.46 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
44 . 1 23 TYR CA 1 23 TYR CB 1 23 TYR CG 1 23 TYR CD1 70.00 110.00 78.13 78.23 78.21 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
45 . 1 28 GLN N 1 28 GLN CA 1 28 GLN CB 1 28 GLN CG -85.00 -35.00 -67.51 -87.96 -66.15 2.96 70 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
46 . 1 45 ARG N 1 45 ARG CA 1 45 ARG CB 1 45 ARG CG 155.00 -155.00 -175.47 -175.46 -175.46 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
47 . 1 46 MET N 1 46 MET CA 1 46 MET CB 1 46 MET CG -85.00 -35.00 -74.79 -77.67 -65.58 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
48 . 1 46 MET CA 1 46 MET CB 1 46 MET CG 1 46 MET SD 155.00 -155.00 177.82 163.19 -152.79 2.21 61 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
49 . 1 49 ASN N 1 49 ASN CA 1 49 ASN CB 1 49 ASN CG 160.00 -160.00 178.79 176.91 -179.16 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
50 . 1 52 HIS N 1 52 HIS CA 1 52 HIS CB 1 52 HIS CG 160.00 -160.00 -176.09 179.85 -165.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
51 . 1 52 HIS CA 1 52 HIS CB 1 52 HIS CG 1 52 HIS ND1 -100.00 -60.00 -79.67 -82.01 -82.24 0.48 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
52 . 1 53 LEU N 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG -80.00 -40.00 -77.38 -79.01 -76.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
53 . 1 53 LEU CA 1 53 LEU CB 1 53 LEU CG 1 53 LEU CD1 160.00 -160.00 167.14 159.90 169.25 0.10 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
54 . 1 56 THR N 1 56 THR CA 1 56 THR CB 1 56 THR OG1 -80.00 -40.00 -52.14 -63.04 -48.58 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
55 . 1 57 LYS N 1 57 LYS CA 1 57 LYS CB 1 57 LYS CG 155.00 -155.00 -174.84 179.25 -158.51 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
56 . 1 59 ILE N 1 59 ILE CA 1 59 ILE CB 1 59 ILE CG1 150.00 -150.00 -148.89 -148.60 -148.61 1.81 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
57 . 1 59 ILE CA 1 59 ILE CB 1 59 ILE CG1 1 59 ILE CD1 160.00 -160.00 168.13 166.35 169.52 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
58 . 1 60 GLU N 1 60 GLU CA 1 60 GLU CB 1 60 GLU CG 35.00 -155.00 170.43 88.62 -178.42 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
59 . 1 62 ASP N 1 62 ASP CA 1 62 ASP CB 1 62 ASP CG 40.00 -160.00 64.32 60.52 60.07 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
60 . 1 65 GLU N 1 65 GLU CA 1 65 GLU CB 1 65 GLU CG -80.00 -40.00 -66.81 -65.72 -66.55 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
61 . 1 67 LYS N 1 67 LYS CA 1 67 LYS CB 1 67 LYS CG -85.00 85.00 -45.91 -81.78 66.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
62 . 1 68 MET N 1 68 MET CA 1 68 MET CB 1 68 MET CG -80.00 -40.00 -67.54 -80.30 -55.13 0.30 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
63 . 1 70 VAL N 1 70 VAL CA 1 70 VAL CB 1 70 VAL CG1 -80.00 -40.00 -63.70 -64.13 -64.19 0.01 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
64 . 1 71 SER N 1 71 SER CA 1 71 SER CB 1 71 SER OG 160.00 -160.00 -173.83 -179.27 -166.41 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
65 . 1 72 LEU N 1 72 LEU CA 1 72 LEU CB 1 72 LEU CG -80.00 -40.00 -69.44 -68.94 -68.98 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
66 . 1 72 LEU CA 1 72 LEU CB 1 72 LEU CG 1 72 LEU CD1 160.00 -160.00 169.76 169.41 169.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
67 . 1 73 VAL N 1 73 VAL CA 1 73 VAL CB 1 73 VAL CG1 -80.00 -40.00 -45.46 -48.03 -41.93 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
68 . 1 74 LEU N 1 74 LEU CA 1 74 LEU CB 1 74 LEU CG 160.00 -160.00 172.91 172.52 172.47 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
69 . 1 74 LEU CA 1 74 LEU CB 1 74 LEU CG 1 74 LEU CD1 40.00 80.00 61.42 60.16 66.37 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
70 . 1 75 VAL N 1 75 VAL CA 1 75 VAL CB 1 75 VAL CG1 160.00 -160.00 173.84 172.92 175.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
71 . 1 76 GLU N 1 76 GLU CA 1 76 GLU CB 1 76 GLU CG 150.00 -150.00 -179.66 -178.52 -178.85 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
72 . 1 76 GLU N 1 76 GLU CA 1 76 GLU CB 1 76 GLU CG 150.00 -150.00 -179.66 -178.52 -178.85 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
73 . 1 76 GLU CA 1 76 GLU CB 1 76 GLU CG 1 76 GLU CD 40.00 -160.00 99.60 177.60 88.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
74 . 1 76 GLU CB 1 76 GLU CG 1 76 GLU CD 1 76 GLU OE1 -90.00 90.00 6.61 9.52 8.40 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
75 . 1 78 GLN N 1 78 GLN CA 1 78 GLN CB 1 78 GLN CG 160.00 -160.00 -170.70 -171.84 -165.60 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
76 . 1 78 GLN CA 1 78 GLN CB 1 78 GLN CG 1 78 GLN CD 160.00 -160.00 178.95 178.92 177.35 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
77 . 1 79 LEU N 1 79 LEU CA 1 79 LEU CB 1 79 LEU CG 160.00 -160.00 175.85 175.83 175.83 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
78 . 1 79 LEU CA 1 79 LEU CB 1 79 LEU CG 1 79 LEU CD1 40.00 80.00 55.23 55.26 55.25 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
79 . 1 80 HIS N 1 80 HIS CA 1 80 HIS CB 1 80 HIS CG -90.00 -30.00 -93.74 -93.82 -93.66 3.82 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
80 . 1 80 HIS CA 1 80 HIS CB 1 80 HIS CG 1 80 HIS ND1 -170.00 -70.00 -117.13 -117.20 -117.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
81 . 1 85 MET N 1 85 MET CA 1 85 MET CB 1 85 MET CG 160.00 -160.00 -177.36 -178.63 -171.49 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
82 . 1 85 MET CA 1 85 MET CB 1 85 MET CG 1 85 MET SD 160.00 -160.00 177.94 157.19 -158.95 2.81 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
83 . 4 6 LEU C 4 7 PHE N 4 7 PHE CA 4 7 PHE C -160.00 -100.00 -123.33 -124.32 -121.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
84 . 4 6 LEU C 4 7 PHE N 4 7 PHE CA 4 7 PHE C -160.00 -100.00 -123.33 -124.32 -121.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
85 . 4 7 PHE N 4 7 PHE CA 4 7 PHE C 4 8 SER N 120.00 -160.00 129.81 127.07 133.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
86 . 4 7 PHE N 4 7 PHE CA 4 7 PHE C 4 8 SER N 120.00 -160.00 129.81 127.07 133.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
87 . 4 7 PHE C 4 8 SER N 4 8 SER CA 4 8 SER C -175.00 -75.00 -169.44 -168.99 -169.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
88 . 4 7 PHE C 4 8 SER N 4 8 SER CA 4 8 SER C -175.00 -75.00 -169.44 -168.99 -169.05 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
89 . 4 8 SER N 4 8 SER CA 4 8 SER C 4 9 SER N 110.00 150.00 130.33 130.62 130.44 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
90 . 4 8 SER N 4 8 SER CA 4 8 SER C 4 9 SER N 100.00 -160.00 130.33 130.62 130.44 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
91 . 4 8 SER C 4 9 SER N 4 9 SER CA 4 9 SER C -150.00 -50.00 -59.79 -63.93 -57.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
92 . 4 8 SER C 4 9 SER N 4 9 SER CA 4 9 SER C -80.00 -50.00 -59.79 -63.93 -57.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
93 . 4 9 SER N 4 9 SER CA 4 9 SER C 4 10 ALA N -10.00 -170.00 20.65 19.99 19.83 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
94 . 4 9 SER N 4 9 SER CA 4 9 SER C 4 10 ALA N -50.00 -10.00 20.65 19.99 19.83 33.89 91 91 [***************************************************************-**************************+]
95 . 4 9 SER C 4 10 ALA N 4 10 ALA CA 4 10 ALA C -170.00 -50.00 -147.16 -151.05 -144.29 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
96 . 4 9 SER C 4 10 ALA N 4 10 ALA CA 4 10 ALA C -130.00 -70.00 -147.16 -151.05 -144.29 21.05 17 91 [****************+***********************-**************************************************]
97 . 4 10 ALA N 4 10 ALA CA 4 10 ALA C 4 11 GLY N -10.00 -170.00 71.79 73.77 73.45 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
98 . 4 10 ALA N 4 10 ALA CA 4 10 ALA C 4 11 GLY N -40.00 60.00 71.79 73.77 73.45 17.97 58 91 [*********************************************************+*******************************-*]
99 . 4 10 ALA C 4 11 GLY N 4 11 GLY CA 4 11 GLY C -180.00 -40.00 -52.55 -57.10 -49.78 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
100 . 4 10 ALA C 4 11 GLY N 4 11 GLY CA 4 11 GLY C 40.00 180.00 -52.55 -57.10 -49.78 97.10 91 91 [********-*********************************************************************************+]
101 . 4 11 GLY C 4 12 MET N 4 12 MET CA 4 12 MET C -120.00 -40.00 -51.41 -50.18 -50.30 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
102 . 4 11 GLY C 4 12 MET N 4 12 MET CA 4 12 MET C -125.00 -65.00 -51.41 -50.18 -50.30 18.13 43 91 [*************-****************************+************************************************]
103 . 4 12 MET N 4 12 MET CA 4 12 MET C 4 13 SER N -70.00 -10.00 -49.92 -51.33 -51.50 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
104 . 4 12 MET C 4 13 SER N 4 13 SER CA 4 13 SER C -85.00 -45.00 -73.32 -86.04 -65.92 1.04 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
105 . 4 12 MET C 4 13 SER N 4 13 SER CA 4 13 SER C -85.00 -45.00 -73.32 -86.04 -65.92 1.04 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
106 . 4 13 SER N 4 13 SER CA 4 13 SER C 4 14 THR N -70.00 -10.00 -42.94 -46.37 -36.20 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
107 . 4 13 SER N 4 13 SER CA 4 13 SER C 4 14 THR N -60.00 -20.00 -42.94 -46.37 -36.20 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
108 . 4 13 SER C 4 14 THR N 4 14 THR CA 4 14 THR C -85.00 -45.00 -69.51 -69.81 -69.95 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
109 . 4 13 SER C 4 14 THR N 4 14 THR CA 4 14 THR C -105.00 -45.00 -69.51 -69.81 -69.95 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
110 . 4 14 THR N 4 14 THR CA 4 14 THR C 4 15 SER N -75.00 -15.00 -29.19 -34.56 -26.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
111 . 4 14 THR N 4 14 THR CA 4 14 THR C 4 15 SER N -50.00 -10.00 -29.19 -34.56 -26.89 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
112 . 4 14 THR C 4 15 SER N 4 15 SER CA 4 15 SER C -80.00 -40.00 -61.30 -60.40 -60.53 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
113 . 4 14 THR C 4 15 SER N 4 15 SER CA 4 15 SER C -80.00 -40.00 -61.30 -60.40 -60.53 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
114 . 4 15 SER N 4 15 SER CA 4 15 SER C 4 16 LEU N -70.00 -10.00 -35.10 -35.20 -34.98 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
115 . 4 15 SER N 4 15 SER CA 4 15 SER C 4 16 LEU N -70.00 -10.00 -35.10 -35.20 -34.98 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
116 . 4 7 PHE N 4 7 PHE CA 4 7 PHE CB 4 7 PHE CG -80.00 -40.00 -67.94 -72.02 -63.41 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
117 . 4 7 PHE CA 4 7 PHE CB 4 7 PHE CG 4 7 PHE CD1 -110.00 -70.00 -87.86 -88.93 -89.19 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
118 . 4 8 SER N 4 8 SER CA 4 8 SER CB 4 8 SER OG 30.00 -150.00 135.71 65.30 -175.12 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
119 . 4 12 MET N 4 12 MET CA 4 12 MET CB 4 12 MET CG 160.00 -160.00 -177.21 -179.00 -179.02 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
120 . 4 13 SER N 4 13 SER CA 4 13 SER CB 4 13 SER OG 150.00 -30.00 -119.45 163.47 163.26 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
121 . 4 14 THR N 4 14 THR CA 4 14 THR CB 4 14 THR OG1 -80.00 -40.00 -50.82 -51.08 -51.10 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
122 . 4 15 SER N 4 15 SER CA 4 15 SER CB 4 15 SER OG -80.00 -40.00 -71.76 -76.14 -66.24 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
123 . 4 16 LEU N 4 16 LEU CA 4 16 LEU CB 4 16 LEU CG 160.00 -160.00 179.83 -176.51 -177.90 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
124 . 4 16 LEU CA 4 16 LEU CB 4 16 LEU CG 4 16 LEU CD1 40.00 80.00 61.22 63.01 62.51 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
125 . 4 17 LEU N 4 17 LEU CA 4 17 LEU CB 4 17 LEU CG 160.00 -160.00 175.81 176.92 176.76 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
126 . 4 17 LEU CA 4 17 LEU CB 4 17 LEU CG 4 17 LEU CD1 40.00 80.00 58.58 51.93 69.65 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
127 . 4 18 VAL N 4 18 VAL CA 4 18 VAL CB 4 18 VAL CG1 160.00 -160.00 172.19 174.21 173.68 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
128 . 4 19 SER N 4 19 SER CA 4 19 SER CB 4 19 SER OG 30.00 90.00 59.03 58.24 59.74 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
129 . 4 20 LYS N 4 20 LYS CA 4 20 LYS CB 4 20 LYS CG 160.00 -40.00 -112.37 -96.37 -128.54 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
130 . 4 22 ARG N 4 22 ARG CA 4 22 ARG CB 4 22 ARG CG 160.00 -40.00 -136.15 174.52 -69.21 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
131 . 4 35 GLU N 4 35 GLU CA 4 35 GLU CB 4 35 GLU CG -80.00 -40.00 -67.08 -66.48 -66.67 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
132 . 4 37 PHE N 4 37 PHE CA 4 37 PHE CB 4 37 PHE CG -80.00 -40.00 -67.24 -77.25 -43.51 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
133 . 4 37 PHE CA 4 37 PHE CB 4 37 PHE CG 4 37 PHE CD1 -110.00 -70.00 -77.35 -107.32 -68.28 1.72 82 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
134 . 4 39 GLU N 4 39 GLU CA 4 39 GLU CB 4 39 GLU CG 40.00 80.00 68.35 44.86 82.22 2.22 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
135 . 4 40 THR N 4 40 THR CA 4 40 THR CB 4 40 THR OG1 40.00 80.00 57.43 57.49 57.40 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
136 . 4 41 LEU N 4 41 LEU CA 4 41 LEU CB 4 41 LEU CG -80.00 -40.00 -64.93 -62.59 -62.71 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
137 . 4 41 LEU CA 4 41 LEU CB 4 41 LEU CG 4 41 LEU CD1 160.00 -160.00 176.37 166.41 -174.31 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
138 . 4 44 GLU N 4 44 GLU CA 4 44 GLU CB 4 44 GLU CG 160.00 -40.00 -90.08 177.65 -63.58 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
139 . 4 45 LYS N 4 45 LYS CA 4 45 LYS CB 4 45 LYS CG 160.00 -40.00 -86.13 -156.26 -61.92 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
140 . 4 57 GLN N 4 57 GLN CA 4 57 GLN CB 4 57 GLN CG 160.00 -40.00 -61.97 -51.02 -54.28 1.00 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
141 . 4 58 ILE N 4 58 ILE CA 4 58 ILE CB 4 58 ILE CG1 30.00 90.00 53.21 51.17 51.09 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
142 . 4 58 ILE CA 4 58 ILE CB 4 58 ILE CG1 4 58 ILE CD1 140.00 -140.00 157.96 153.68 -175.13 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
143 . 4 60 TYR N 4 60 TYR CA 4 60 TYR CB 4 60 TYR CG 50.00 90.00 64.79 58.46 68.16 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
144 . 4 60 TYR CA 4 60 TYR CB 4 60 TYR CG 4 60 TYR CD1 -110.00 -70.00 -88.10 -88.01 -88.17 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
145 . 4 61 MET N 4 61 MET CA 4 61 MET CB 4 61 MET CG -80.00 -40.00 -66.94 -66.72 -66.73 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
146 . 4 61 MET CA 4 61 MET CB 4 61 MET CG 4 61 MET SD 160.00 -160.00 178.44 176.29 175.74 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
147 . 4 79 SER N 4 79 SER CA 4 79 SER CB 4 79 SER OG 40.00 80.00 59.86 59.16 59.11 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
148 . 4 80 LEU N 4 80 LEU CA 4 80 LEU CB 4 80 LEU CG -80.00 -40.00 -62.10 -67.03 -52.60 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
149 . 4 80 LEU CA 4 80 LEU CB 4 80 LEU CG 4 80 LEU CD1 160.00 -160.00 176.15 166.59 179.21 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
150 . 4 82 TYR N 4 82 TYR CA 4 82 TYR CB 4 82 TYR CG 155.00 -155.00 -165.41 -164.15 -164.31 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
151 . 4 82 TYR CA 4 82 TYR CB 4 82 TYR CG 4 82 TYR CD1 -120.00 -60.00 -85.95 -103.95 -61.74 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
152 . 4 84 LYS N 4 84 LYS CA 4 84 LYS CB 4 84 LYS CG 160.00 -40.00 -138.45 171.37 -59.97 . . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
153 . 4 85 VAL N 4 85 VAL CA 4 85 VAL CB 4 85 VAL CG1 150.00 -150.00 -160.87 -159.04 -159.22 1.77 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 ]"
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