NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415867 |
2ddi   |
6963 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ddi
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 173
_TA_constraint_stats_list.Viol_count 661
_TA_constraint_stats_list.Viol_total 18377.17
_TA_constraint_stats_list.Viol_max 2.71
_TA_constraint_stats_list.Viol_rms 0.59
_TA_constraint_stats_list.Viol_average_all_restraints 0.27
_TA_constraint_stats_list.Viol_average_violations_only 1.39
_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 PSI 1 1 GLU N 1 1 GLU CA 1 1 GLU C 1 2 ALA N 15.00 -145.00 148.76 39.81 -143.53 1.47 1 0 "[ . 1 . 2]"
2 PHI 1 1 GLU C 1 2 ALA N 1 2 ALA CA 1 2 ALA C 175.00 -35.00 -131.71 173.93 -41.86 1.07 17 0 "[ . 1 . 2]"
3 PHI 1 2 ALA C 1 3 GLU N 1 3 GLU CA 1 3 GLU C 175.00 -35.00 -85.40 -138.88 -48.58 . . 0 "[ . 1 . 2]"
4 CHI1 1 3 GLU N 1 3 GLU CA 1 3 GLU CB 1 3 GLU CG -80.00 -40.00 -59.37 -81.53 -38.40 1.60 13 0 "[ . 1 . 2]"
5 PSI 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 ALA N -115.00 -25.00 -38.46 -71.37 -23.56 1.44 18 0 "[ . 1 . 2]"
6 PHI 1 3 GLU C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -115.00 -35.00 -104.47 -74.49 -78.92 1.82 14 0 "[ . 1 . 2]"
7 PHI 1 4 ALA C 1 5 GLU N 1 5 GLU CA 1 5 GLU C -135.00 -35.00 -70.71 -73.95 -117.09 0.63 16 0 "[ . 1 . 2]"
8 CHI1 1 5 GLU N 1 5 GLU CA 1 5 GLU CB 1 5 GLU CG -80.00 -40.00 -62.71 -52.71 -57.02 1.62 16 0 "[ . 1 . 2]"
9 PSI 1 5 GLU N 1 5 GLU CA 1 5 GLU C 1 6 PHE N -95.00 -25.00 -41.05 -87.44 -22.71 2.29 3 0 "[ . 1 . 2]"
10 PHI 1 5 GLU C 1 6 PHE N 1 6 PHE CA 1 6 PHE C 175.00 -35.00 -134.43 -164.43 -40.63 . . 0 "[ . 1 . 2]"
11 CHI1 1 6 PHE N 1 6 PHE CA 1 6 PHE CB 1 6 PHE CG 160.00 -160.00 -177.88 -178.91 -179.72 . . 0 "[ . 1 . 2]"
12 PSI 1 6 PHE N 1 6 PHE CA 1 6 PHE C 1 7 THR N 95.00 -165.00 134.35 92.73 -178.39 2.27 8 0 "[ . 1 . 2]"
13 PHI 1 6 PHE C 1 7 THR N 1 7 THR CA 1 7 THR C 175.00 -35.00 -144.09 172.97 -68.38 2.03 12 0 "[ . 1 . 2]"
14 CHI1 1 7 THR N 1 7 THR CA 1 7 THR CB 1 7 THR OG1 -80.00 -40.00 -65.40 -79.86 -38.38 1.62 18 0 "[ . 1 . 2]"
15 PSI 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 ASP N 95.00 -165.00 118.86 101.09 94.50 1.52 1 0 "[ . 1 . 2]"
16 PHI 1 7 THR C 1 8 ASP N 1 8 ASP CA 1 8 ASP C 175.00 -35.00 -82.41 -79.12 -82.91 . . 0 "[ . 1 . 2]"
17 CHI1 1 8 ASP N 1 8 ASP CA 1 8 ASP CB 1 8 ASP CG 160.00 -160.00 176.94 -179.60 175.05 . . 0 "[ . 1 . 2]"
18 PSI 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 ALA N 95.00 -175.00 153.11 97.78 178.14 . . 0 "[ . 1 . 2]"
19 PHI 1 8 ASP C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -85.00 -35.00 -49.37 -43.95 -45.67 . . 0 "[ . 1 . 2]"
20 PSI 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 CYS N -65.00 -25.00 -32.52 -26.42 -28.36 1.81 5 0 "[ . 1 . 2]"
21 PHI 1 9 ALA C 1 10 CYS N 1 10 CYS CA 1 10 CYS C 145.00 -35.00 -57.49 -50.30 -52.84 . . 0 "[ . 1 . 2]"
22 CHI1 1 10 CYS N 1 10 CYS CA 1 10 CYS CB 1 10 CYS SG 30.00 90.00 83.34 64.66 91.16 1.16 10 0 "[ . 1 . 2]"
23 PSI 1 10 CYS N 1 10 CYS CA 1 10 CYS C 1 11 VAL N -65.00 120.00 -26.18 -34.60 -14.97 . . 0 "[ . 1 . 2]"
24 PHI 1 10 CYS C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -95.00 -55.00 -77.51 -76.63 -78.08 . . 0 "[ . 1 . 2]"
25 CHI1 1 11 VAL N 1 11 VAL CA 1 11 VAL CB 1 11 VAL CG1 160.00 -160.00 -177.49 163.29 -170.31 . . 0 "[ . 1 . 2]"
26 PSI 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 LEU N -65.00 -5.00 -30.06 -37.87 -21.77 . . 0 "[ . 1 . 2]"
27 PHI 1 11 VAL C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -105.00 -45.00 -69.83 -75.46 -76.47 . . 0 "[ . 1 . 2]"
28 CHI1 1 12 LEU N 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG 160.00 -160.00 157.90 157.92 157.84 2.53 7 0 "[ . 1 . 2]"
29 PSI 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 PRO N 115.00 175.00 134.91 147.09 136.71 . . 0 "[ . 1 . 2]"
30 PSI 1 13 PRO N 1 13 PRO CA 1 13 PRO C 1 14 ALA N 135.00 -165.00 158.86 166.18 161.31 . . 0 "[ . 1 . 2]"
31 PHI 1 13 PRO C 1 14 ALA N 1 14 ALA CA 1 14 ALA C 155.00 -45.00 -84.05 -87.39 -90.00 . . 0 "[ . 1 . 2]"
32 PSI 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 VAL N 115.00 -165.00 148.50 113.39 168.43 1.61 10 0 "[ . 1 . 2]"
33 PHI 1 14 ALA C 1 15 VAL N 1 15 VAL CA 1 15 VAL C 135.00 -35.00 -125.88 -93.88 -128.93 . . 0 "[ . 1 . 2]"
34 CHI1 1 15 VAL N 1 15 VAL CA 1 15 VAL CB 1 15 VAL CG1 160.00 -160.00 169.35 -175.71 169.95 . . 0 "[ . 1 . 2]"
35 PSI 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 GLN N 110.00 175.00 142.99 115.15 152.97 . . 0 "[ . 1 . 2]"
36 PHI 1 15 VAL C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -125.00 -55.00 -81.27 -99.38 -71.83 . . 0 "[ . 1 . 2]"
37 CHI1 1 16 GLN N 1 16 GLN CA 1 16 GLN CB 1 16 GLN CG -80.00 -40.00 -63.46 -60.80 -80.55 1.40 17 0 "[ . 1 . 2]"
38 PSI 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 GLY N -95.00 -25.00 -45.16 -35.12 -53.42 1.04 11 0 "[ . 1 . 2]"
39 PHI 1 16 GLN C 1 17 GLY N 1 17 GLY CA 1 17 GLY C 25.00 -175.00 106.75 81.33 136.98 . . 0 "[ . 1 . 2]"
40 PSI 1 17 GLY N 1 17 GLY CA 1 17 GLY C 1 18 PRO N 125.00 -155.00 173.39 168.86 177.55 . . 0 "[ . 1 . 2]"
41 PSI 1 18 PRO N 1 18 PRO CA 1 18 PRO C 1 19 CYS N -95.00 -5.00 -18.28 -40.72 -3.39 1.61 3 0 "[ . 1 . 2]"
42 PHI 1 18 PRO C 1 19 CYS N 1 19 CYS CA 1 19 CYS C -125.00 -55.00 -70.76 -79.21 -60.30 . . 0 "[ . 1 . 2]"
43 CHI1 1 19 CYS N 1 19 CYS CA 1 19 CYS CB 1 19 CYS SG -80.00 -40.00 -59.86 -79.95 -38.61 1.39 12 0 "[ . 1 . 2]"
44 PSI 1 19 CYS N 1 19 CYS CA 1 19 CYS C 1 20 ARG N 125.00 -165.00 171.90 -179.50 178.85 . . 0 "[ . 1 . 2]"
45 PHI 1 19 CYS C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -135.00 -85.00 -121.24 -132.74 -102.34 . . 0 "[ . 1 . 2]"
46 CHI1 1 20 ARG N 1 20 ARG CA 1 20 ARG CB 1 20 ARG CG -80.00 -40.00 -80.10 -82.19 -62.87 2.19 4 0 "[ . 1 . 2]"
47 PSI 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 GLY N 5.00 45.00 3.71 3.77 3.70 1.56 14 0 "[ . 1 . 2]"
48 PHI 1 20 ARG C 1 21 GLY N 1 21 GLY CA 1 21 GLY C 25.00 -25.00 -82.73 -88.17 -91.88 . . 0 "[ . 1 . 2]"
49 PSI 1 21 GLY N 1 21 GLY CA 1 21 GLY C 1 22 TRP N 155.00 -5.00 155.04 155.09 154.32 1.77 6 0 "[ . 1 . 2]"
50 PHI 1 21 GLY C 1 22 TRP N 1 22 TRP CA 1 22 TRP C -155.00 -85.00 -131.19 -136.95 -125.20 . . 0 "[ . 1 . 2]"
51 CHI1 1 22 TRP N 1 22 TRP CA 1 22 TRP CB 1 22 TRP CG -80.00 -40.00 -58.25 -56.35 -56.80 . . 0 "[ . 1 . 2]"
52 PSI 1 22 TRP N 1 22 TRP CA 1 22 TRP C 1 23 GLU N 35.00 155.00 117.65 117.88 109.60 . . 0 "[ . 1 . 2]"
53 PHI 1 22 TRP C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -135.00 -95.00 -115.86 -135.91 -94.01 0.99 9 0 "[ . 1 . 2]"
54 CHI1 1 23 GLU N 1 23 GLU CA 1 23 GLU CB 1 23 GLU CG 160.00 -160.00 169.55 158.81 176.69 1.19 10 0 "[ . 1 . 2]"
55 PSI 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 PRO N 115.00 165.00 115.45 113.67 126.21 1.33 3 0 "[ . 1 . 2]"
56 PSI 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 ARG N 115.00 175.00 125.94 113.72 133.59 1.28 12 0 "[ . 1 . 2]"
57 PHI 1 24 PRO C 1 25 ARG N 1 25 ARG CA 1 25 ARG C 145.00 -95.00 -129.34 -131.81 -132.37 . . 0 "[ . 1 . 2]"
58 CHI1 1 25 ARG N 1 25 ARG CA 1 25 ARG CB 1 25 ARG CG -80.00 -40.00 -71.21 -72.06 -72.28 . . 0 "[ . 1 . 2]"
59 PSI 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 TRP N 115.00 -165.00 178.70 175.49 -177.91 . . 0 "[ . 1 . 2]"
60 PHI 1 25 ARG C 1 26 TRP N 1 26 TRP CA 1 26 TRP C 155.00 -95.00 -120.81 -114.30 -117.35 . . 0 "[ . 1 . 2]"
61 CHI1 1 26 TRP N 1 26 TRP CA 1 26 TRP CB 1 26 TRP CG -80.00 -40.00 -77.35 -73.15 -76.34 . . 0 "[ . 1 . 2]"
62 PSI 1 26 TRP N 1 26 TRP CA 1 26 TRP C 1 27 ALA N 115.00 -175.00 142.58 136.31 145.37 . . 0 "[ . 1 . 2]"
63 PHI 1 26 TRP C 1 27 ALA N 1 27 ALA CA 1 27 ALA C 155.00 -95.00 -138.71 -137.91 -138.34 . . 0 "[ . 1 . 2]"
64 PSI 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 TYR N 115.00 -165.00 145.66 141.33 149.36 . . 0 "[ . 1 . 2]"
65 PHI 1 27 ALA C 1 28 TYR N 1 28 TYR CA 1 28 TYR C 155.00 -75.00 -81.42 -79.50 -80.72 . . 0 "[ . 1 . 2]"
66 CHI1 1 28 TYR N 1 28 TYR CA 1 28 TYR CB 1 28 TYR CG 160.00 -160.00 -174.54 179.37 -170.23 . . 0 "[ . 1 . 2]"
67 PSI 1 28 TYR N 1 28 TYR CA 1 28 TYR C 1 29 SER N 115.00 -175.00 138.61 139.09 138.57 . . 0 "[ . 1 . 2]"
68 PHI 1 28 TYR C 1 29 SER N 1 29 SER CA 1 29 SER C -115.00 -85.00 -117.27 -117.24 -117.29 2.59 7 0 "[ . 1 . 2]"
69 CHI1 1 29 SER N 1 29 SER CA 1 29 SER CB 1 29 SER OG -80.00 -40.00 -74.98 -74.54 -75.07 . . 0 "[ . 1 . 2]"
70 PSI 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 PRO N 115.00 -175.00 113.59 113.86 113.70 1.86 15 0 "[ . 1 . 2]"
71 PSI 1 30 PRO N 1 30 PRO CA 1 30 PRO C 1 31 LEU N -95.00 -25.00 -33.85 -36.52 -32.18 . . 0 "[ . 1 . 2]"
72 PHI 1 30 PRO C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -125.00 -35.00 -64.72 -66.83 -61.98 . . 0 "[ . 1 . 2]"
73 CHI1 1 31 LEU N 1 31 LEU CA 1 31 LEU CB 1 31 LEU CG -80.00 -40.00 -77.73 -81.45 -59.33 1.45 13 0 "[ . 1 . 2]"
74 PSI 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 LEU N -25.00 5.00 -17.40 -17.21 -19.71 . . 0 "[ . 1 . 2]"
75 PHI 1 31 LEU C 1 32 LEU N 1 32 LEU CA 1 32 LEU C 155.00 -95.00 -109.85 -120.63 -102.34 . . 0 "[ . 1 . 2]"
76 CHI1 1 32 LEU N 1 32 LEU CA 1 32 LEU CB 1 32 LEU CG -80.00 -40.00 -79.79 -80.79 -78.59 0.79 11 0 "[ . 1 . 2]"
77 PSI 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 GLN N -45.00 -5.00 -4.66 -4.57 -5.32 1.20 19 0 "[ . 1 . 2]"
78 PHI 1 32 LEU C 1 33 GLN N 1 33 GLN CA 1 33 GLN C 35.00 75.00 48.07 43.44 55.65 . . 0 "[ . 1 . 2]"
79 CHI1 1 33 GLN N 1 33 GLN CA 1 33 GLN CB 1 33 GLN CG 160.00 -160.00 -159.75 -159.25 -159.47 2.10 3 0 "[ . 1 . 2]"
80 PSI 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 GLN N -5.00 95.00 33.19 37.97 37.93 . . 0 "[ . 1 . 2]"
81 PHI 1 33 GLN C 1 34 GLN N 1 34 GLN CA 1 34 GLN C 155.00 -35.00 -163.34 -160.88 -162.34 . . 0 "[ . 1 . 2]"
82 CHI1 1 34 GLN N 1 34 GLN CA 1 34 GLN CB 1 34 GLN CG 160.00 -160.00 -160.16 -158.54 -158.55 1.78 7 0 "[ . 1 . 2]"
83 PSI 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 CYS N 115.00 -175.00 168.61 168.85 168.68 . . 0 "[ . 1 . 2]"
84 PHI 1 34 GLN C 1 35 CYS N 1 35 CYS CA 1 35 CYS C 145.00 -85.00 -95.49 -106.78 -84.19 0.81 19 0 "[ . 1 . 2]"
85 CHI1 1 35 CYS N 1 35 CYS CA 1 35 CYS CB 1 35 CYS SG -80.00 -40.00 -66.88 -46.30 -58.67 . . 0 "[ . 1 . 2]"
86 PSI 1 35 CYS N 1 35 CYS CA 1 35 CYS C 1 36 HIS N 115.00 -165.00 147.46 136.00 152.89 . . 0 "[ . 1 . 2]"
87 PHI 1 35 CYS C 1 36 HIS N 1 36 HIS CA 1 36 HIS C 155.00 -95.00 -135.70 -126.43 -131.46 . . 0 "[ . 1 . 2]"
88 CHI1 1 36 HIS N 1 36 HIS CA 1 36 HIS CB 1 36 HIS CG 40.00 80.00 64.99 62.45 67.85 . . 0 "[ . 1 . 2]"
89 PSI 1 36 HIS N 1 36 HIS CA 1 36 HIS C 1 37 PRO N 115.00 -175.00 155.09 159.48 157.19 . . 0 "[ . 1 . 2]"
90 PSI 1 37 PRO N 1 37 PRO CA 1 37 PRO C 1 38 PHE N 155.00 -165.00 164.21 164.81 163.41 . . 0 "[ . 1 . 2]"
91 PHI 1 37 PRO C 1 38 PHE N 1 38 PHE CA 1 38 PHE C 155.00 -85.00 -158.57 -163.36 -153.49 . . 0 "[ . 1 . 2]"
92 CHI1 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG 40.00 80.00 76.89 79.55 79.08 0.70 6 0 "[ . 1 . 2]"
93 PSI 1 38 PHE N 1 38 PHE CA 1 38 PHE C 1 39 VAL N 115.00 -155.00 164.55 168.26 166.32 . . 0 "[ . 1 . 2]"
94 PHI 1 38 PHE C 1 39 VAL N 1 39 VAL CA 1 39 VAL C 155.00 -75.00 -91.43 -114.10 -83.35 . . 0 "[ . 1 . 2]"
95 CHI1 1 39 VAL N 1 39 VAL CA 1 39 VAL CB 1 39 VAL CG1 160.00 -160.00 177.03 164.76 -163.13 . . 0 "[ . 1 . 2]"
96 PSI 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 TYR N 115.00 -165.00 119.39 113.44 130.76 1.56 20 0 "[ . 1 . 2]"
97 PHI 1 39 VAL C 1 40 TYR N 1 40 TYR CA 1 40 TYR C 155.00 -75.00 -111.57 -107.63 -114.40 . . 0 "[ . 1 . 2]"
98 CHI1 1 40 TYR N 1 40 TYR CA 1 40 TYR CB 1 40 TYR CG 160.00 -160.00 162.70 158.29 168.80 1.71 12 0 "[ . 1 . 2]"
99 PSI 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 GLY N 115.00 -135.00 163.11 145.92 175.26 . . 0 "[ . 1 . 2]"
100 PHI 1 40 TYR C 1 41 GLY N 1 41 GLY CA 1 41 GLY C 25.00 -25.00 -108.66 -109.15 -117.72 . . 0 "[ . 1 . 2]"
101 PSI 1 41 GLY N 1 41 GLY CA 1 41 GLY C 1 42 GLY N -125.00 125.00 2.75 -7.66 19.32 . . 0 "[ . 1 . 2]"
102 PHI 1 41 GLY C 1 42 GLY N 1 42 GLY CA 1 42 GLY C 25.00 -25.00 79.42 71.65 91.86 . . 0 "[ . 1 . 2]"
103 PHI 1 41 GLY C 1 42 GLY N 1 42 GLY CA 1 42 GLY C -85.00 -155.00 79.42 71.65 91.86 . . 0 "[ . 1 . 2]"
104 PSI 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 CYS N -105.00 115.00 -26.70 1.96 -7.24 . . 0 "[ . 1 . 2]"
105 PHI 1 42 GLY C 1 43 CYS N 1 43 CYS CA 1 43 CYS C -125.00 -35.00 -93.86 -125.53 -65.90 0.53 8 0 "[ . 1 . 2]"
106 CHI1 1 43 CYS N 1 43 CYS CA 1 43 CYS CB 1 43 CYS SG 40.00 80.00 66.73 72.75 64.40 1.17 2 0 "[ . 1 . 2]"
107 PSI 1 43 CYS N 1 43 CYS CA 1 43 CYS C 1 44 GLU N 105.00 -175.00 -172.87 -172.65 -172.71 2.54 5 0 "[ . 1 . 2]"
108 PHI 1 43 CYS C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -95.00 -35.00 -33.75 -33.37 -33.47 1.95 11 0 "[ . 1 . 2]"
109 CHI1 1 44 GLU N 1 44 GLU CA 1 44 GLU CB 1 44 GLU CG -80.00 -40.00 -55.31 -54.57 -54.98 . . 0 "[ . 1 . 2]"
110 PSI 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 GLY N 135.00 -175.00 133.73 133.64 133.60 1.60 11 0 "[ . 1 . 2]"
111 PHI 1 44 GLU C 1 45 GLY N 1 45 GLY CA 1 45 GLY C 25.00 -25.00 -167.96 -176.30 -157.81 . . 0 "[ . 1 . 2]"
112 PSI 1 45 GLY N 1 45 GLY CA 1 45 GLY C 1 46 ASN N 5.00 -115.00 -177.62 168.09 -167.22 . . 0 "[ . 1 . 2]"
113 PSI 1 45 GLY N 1 45 GLY CA 1 45 GLY C 1 46 ASN N 85.00 25.00 -177.62 168.09 -167.22 . . 0 "[ . 1 . 2]"
114 PHI 1 45 GLY C 1 46 ASN N 1 46 ASN CA 1 46 ASN C 145.00 -95.00 -93.54 -93.99 -93.29 1.71 17 0 "[ . 1 . 2]"
115 CHI1 1 46 ASN N 1 46 ASN CA 1 46 ASN CB 1 46 ASN CG -80.00 -40.00 -54.01 -69.71 -39.25 0.75 6 0 "[ . 1 . 2]"
116 PSI 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 GLY N 115.00 -145.00 177.72 -177.62 178.59 . . 0 "[ . 1 . 2]"
117 PHI 1 46 ASN C 1 47 GLY N 1 47 GLY CA 1 47 GLY C 25.00 -25.00 -78.27 -86.99 -68.30 . . 0 "[ . 1 . 2]"
118 PHI 1 46 ASN C 1 47 GLY N 1 47 GLY CA 1 47 GLY C 145.00 105.00 -78.27 -86.99 -68.30 . . 0 "[ . 1 . 2]"
119 PHI 1 47 GLY C 1 48 ASN N 1 48 ASN CA 1 48 ASN C -125.00 -45.00 -78.19 -86.30 -73.17 . . 0 "[ . 1 . 2]"
120 CHI1 1 48 ASN N 1 48 ASN CA 1 48 ASN CB 1 48 ASN CG 160.00 -160.00 -169.46 -169.09 -169.63 . . 0 "[ . 1 . 2]"
121 PSI 1 48 ASN N 1 48 ASN CA 1 48 ASN C 1 49 ASN N 35.00 -155.00 72.24 53.16 81.39 . . 0 "[ . 1 . 2]"
122 PHI 1 48 ASN C 1 49 ASN N 1 49 ASN CA 1 49 ASN C 175.00 -95.00 -143.08 -144.42 -145.51 . . 0 "[ . 1 . 2]"
123 CHI1 1 49 ASN N 1 49 ASN CA 1 49 ASN CB 1 49 ASN CG 160.00 -160.00 -170.46 178.36 -162.43 . . 0 "[ . 1 . 2]"
124 PSI 1 49 ASN N 1 49 ASN CA 1 49 ASN C 1 50 PHE N 115.00 -175.00 113.08 112.71 113.66 2.29 3 0 "[ . 1 . 2]"
125 PHI 1 49 ASN C 1 50 PHE N 1 50 PHE CA 1 50 PHE C 155.00 -85.00 -120.78 -118.42 -119.76 . . 0 "[ . 1 . 2]"
126 CHI1 1 50 PHE N 1 50 PHE CA 1 50 PHE CB 1 50 PHE CG -80.00 -40.00 -68.36 -75.77 -61.42 . . 0 "[ . 1 . 2]"
127 PSI 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 HIS N 115.00 -155.00 158.95 161.25 161.03 . . 0 "[ . 1 . 2]"
128 PHI 1 50 PHE C 1 51 HIS N 1 51 HIS CA 1 51 HIS C 155.00 -95.00 -93.96 -92.75 -93.07 2.25 2 0 "[ . 1 . 2]"
129 CHI1 1 51 HIS N 1 51 HIS CA 1 51 HIS CB 1 51 HIS CG -80.00 -40.00 -52.51 -38.25 -39.28 2.34 2 0 "[ . 1 . 2]"
130 PSI 1 51 HIS N 1 51 HIS CA 1 51 HIS C 1 52 SER N -65.00 15.00 -14.34 -21.03 -6.31 . . 0 "[ . 1 . 2]"
131 PHI 1 51 HIS C 1 52 SER N 1 52 SER CA 1 52 SER C 145.00 -95.00 -162.72 -170.47 -148.76 . . 0 "[ . 1 . 2]"
132 CHI1 1 52 SER N 1 52 SER CA 1 52 SER CB 1 52 SER OG 40.00 80.00 40.55 38.28 46.07 1.72 4 0 "[ . 1 . 2]"
133 PSI 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 ARG N 115.00 -165.00 166.77 158.09 173.46 . . 0 "[ . 1 . 2]"
134 PHI 1 52 SER C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -135.00 -45.00 -62.00 -70.31 -57.19 . . 0 "[ . 1 . 2]"
135 CHI1 1 53 ARG N 1 53 ARG CA 1 53 ARG CB 1 53 ARG CG 160.00 -160.00 -179.95 -161.29 177.94 1.36 18 0 "[ . 1 . 2]"
136 PSI 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 GLU N -65.00 -35.00 -47.24 -44.75 -45.99 . . 0 "[ . 1 . 2]"
137 PHI 1 53 ARG C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -95.00 -35.00 -48.92 -47.83 -48.15 . . 0 "[ . 1 . 2]"
138 CHI1 1 54 GLU N 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG 160.00 -160.00 162.71 164.65 158.78 1.94 17 0 "[ . 1 . 2]"
139 PSI 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 SER N -65.00 -35.00 -64.77 -66.10 -66.27 2.10 17 0 "[ . 1 . 2]"
140 PHI 1 54 GLU C 1 55 SER N 1 55 SER CA 1 55 SER C -95.00 -35.00 -57.55 -60.83 -51.10 . . 0 "[ . 1 . 2]"
141 CHI1 1 55 SER N 1 55 SER CA 1 55 SER CB 1 55 SER OG 40.00 80.00 51.74 39.07 59.52 0.93 4 0 "[ . 1 . 2]"
142 PSI 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 CYS N -65.00 -35.00 -34.44 -41.27 -33.07 1.93 19 0 "[ . 1 . 2]"
143 PHI 1 55 SER C 1 56 CYS N 1 56 CYS CA 1 56 CYS C -95.00 -35.00 -70.47 -71.66 -71.96 . . 0 "[ . 1 . 2]"
144 CHI1 1 56 CYS N 1 56 CYS CA 1 56 CYS CB 1 56 CYS SG 160.00 -160.00 -165.91 -175.61 -158.34 1.66 3 0 "[ . 1 . 2]"
145 PSI 1 56 CYS N 1 56 CYS CA 1 56 CYS C 1 57 GLU N -65.00 -35.00 -50.19 -48.52 -49.42 . . 0 "[ . 1 . 2]"
146 PHI 1 56 CYS C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -95.00 -35.00 -65.41 -64.78 -66.12 . . 0 "[ . 1 . 2]"
147 CHI1 1 57 GLU N 1 57 GLU CA 1 57 GLU CB 1 57 GLU CG -80.00 -40.00 -74.06 -72.68 -76.01 2.09 3 0 "[ . 1 . 2]"
148 PSI 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ASP N -65.00 -35.00 -33.37 -34.04 -32.90 2.10 15 0 "[ . 1 . 2]"
149 PHI 1 57 GLU C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -95.00 -35.00 -68.69 -80.64 -56.02 . . 0 "[ . 1 . 2]"
150 CHI1 1 58 ASP N 1 58 ASP CA 1 58 ASP CB 1 58 ASP CG 160.00 -160.00 -169.39 -159.40 -165.04 2.10 2 0 "[ . 1 . 2]"
151 PSI 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 ALA N -65.00 -25.00 -32.89 -24.32 -26.65 1.83 3 0 "[ . 1 . 2]"
152 PHI 1 58 ASP C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -95.00 -35.00 -69.65 -84.13 -58.87 . . 0 "[ . 1 . 2]"
153 PSI 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 CYS N -65.00 -35.00 -53.41 -65.03 -39.37 0.03 13 0 "[ . 1 . 2]"
154 PHI 1 59 ALA C 1 60 CYS N 1 60 CYS CA 1 60 CYS C 155.00 -45.00 -124.37 -122.99 -127.26 . . 0 "[ . 1 . 2]"
155 CHI1 1 60 CYS N 1 60 CYS CA 1 60 CYS CB 1 60 CYS SG -80.00 -40.00 -78.41 -80.71 -80.88 1.72 12 0 "[ . 1 . 2]"
156 PSI 1 60 CYS N 1 60 CYS CA 1 60 CYS C 1 61 PRO N 65.00 165.00 95.76 165.92 114.40 0.92 2 0 "[ . 1 . 2]"
157 PSI 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 VAL N 45.00 -165.00 -178.66 44.45 -162.50 2.50 19 0 "[ . 1 . 2]"
158 PHI 1 61 PRO C 1 62 VAL N 1 62 VAL CA 1 62 VAL C 155.00 -95.00 -110.09 -153.75 -92.29 2.71 19 0 "[ . 1 . 2]"
159 CHI1 1 62 VAL N 1 62 VAL CA 1 62 VAL CB 1 62 VAL CG1 160.00 -160.00 -165.58 165.69 -158.36 1.64 1 0 "[ . 1 . 2]"
160 PSI 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 VAL N 115.00 -155.00 -173.00 157.53 140.76 2.30 12 0 "[ . 1 . 2]"
161 PHI 1 62 VAL C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -125.00 -35.00 -56.43 -66.94 -126.62 2.20 1 0 "[ . 1 . 2]"
162 CHI1 1 63 VAL N 1 63 VAL CA 1 63 VAL CB 1 63 VAL CG1 160.00 -160.00 -161.97 -164.77 -170.68 1.41 7 0 "[ . 1 . 2]"
163 PSI 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 ASP N 115.00 -175.00 135.28 113.71 -177.21 1.29 14 0 "[ . 1 . 2]"
164 PHI 1 63 VAL C 1 64 ASP N 1 64 ASP CA 1 64 ASP C -125.00 -35.00 -62.58 -126.39 -33.65 1.39 5 0 "[ . 1 . 2]"
165 CHI1 1 64 ASP N 1 64 ASP CA 1 64 ASP CB 1 64 ASP CG 160.00 -160.00 178.93 176.16 169.71 1.15 9 0 "[ . 1 . 2]"
166 PSI 1 64 ASP N 1 64 ASP CA 1 64 ASP C 1 65 HIS N 115.00 -175.00 133.01 113.10 176.90 1.90 6 0 "[ . 1 . 2]"
167 PHI 1 64 ASP C 1 65 HIS N 1 65 HIS CA 1 65 HIS C 175.00 -35.00 -72.48 -68.24 -71.05 . . 0 "[ . 1 . 2]"
168 CHI1 1 65 HIS N 1 65 HIS CA 1 65 HIS CB 1 65 HIS CG -80.00 -40.00 -54.42 -53.56 -62.31 1.90 10 0 "[ . 1 . 2]"
169 PHI 1 65 HIS C 1 66 HIS N 1 66 HIS CA 1 66 HIS C 175.00 -35.00 -84.95 172.93 -32.71 2.29 14 0 "[ . 1 . 2]"
170 PHI 1 66 HIS C 1 67 HIS N 1 67 HIS CA 1 67 HIS C 175.00 -35.00 -84.76 -38.48 -51.35 1.83 8 0 "[ . 1 . 2]"
171 PHI 1 67 HIS C 1 68 HIS N 1 68 HIS CA 1 68 HIS C 175.00 -35.00 -94.96 173.07 -34.96 1.93 15 0 "[ . 1 . 2]"
172 PHI 1 68 HIS C 1 69 HIS N 1 69 HIS CA 1 69 HIS C 175.00 -35.00 -104.26 -72.22 -74.18 1.29 7 0 "[ . 1 . 2]"
173 PHI 1 69 HIS C 1 70 HIS N 1 70 HIS CA 1 70 HIS C 175.00 -35.00 -85.79 -169.04 -37.61 . . 0 "[ . 1 . 2]"
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