NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379135 |
1hpw   |
4918 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1hpw
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 181
_TA_constraint_stats_list.Viol_count 203
_TA_constraint_stats_list.Viol_total 1770.28
_TA_constraint_stats_list.Viol_max 4.57
_TA_constraint_stats_list.Viol_rms 0.40
_TA_constraint_stats_list.Viol_average_all_restraints 0.10
_TA_constraint_stats_list.Viol_average_violations_only 0.87
_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 ALA C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -90.00 -30.00 -83.95 -91.34 -68.09 1.34 2 0 "[ . 1]"
2 . 1 9 ARG C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -75.00 -45.00 -70.92 -73.78 -75.02 0.61 3 0 "[ . 1]"
3 . 1 10 ALA C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -75.00 -45.00 -61.51 -62.34 -63.31 0.08 3 0 "[ . 1]"
4 . 1 11 GLN C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -75.00 -45.00 -65.95 -75.08 -59.15 0.08 8 0 "[ . 1]"
5 . 1 12 LEU C 1 13 SER N 1 13 SER CA 1 13 SER C -75.00 -45.00 -64.13 -71.29 -60.10 . . 0 "[ . 1]"
6 . 1 13 SER C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -75.00 -45.00 -64.20 -72.97 -57.27 . . 0 "[ . 1]"
7 . 1 14 GLU C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -75.00 -45.00 -60.85 -62.90 -59.15 . . 0 "[ . 1]"
8 . 1 15 ALA C 1 16 MET N 1 16 MET CA 1 16 MET C -75.00 -45.00 -62.14 -59.97 -61.30 0.33 9 0 "[ . 1]"
9 . 1 16 MET C 1 17 THR N 1 17 THR CA 1 17 THR C -75.00 -45.00 -65.99 -75.21 -59.56 0.21 2 0 "[ . 1]"
10 . 1 17 THR C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -75.00 -45.00 -69.54 -74.93 -75.01 0.06 1 0 "[ . 1]"
11 . 1 18 LEU C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -75.00 -45.00 -60.60 -63.57 -58.21 . . 0 "[ . 1]"
12 . 1 19 ALA C 1 20 SER N 1 20 SER CA 1 20 SER C -90.00 -30.00 -63.42 -70.39 -60.65 . . 0 "[ . 1]"
13 . 1 21 GLY C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -90.00 -30.00 -68.58 -76.39 -60.30 . . 0 "[ . 1]"
14 . 1 22 LEU C 1 23 LYS N 1 23 LYS CA 1 23 LYS C -90.00 -30.00 -60.96 -59.49 -60.56 . . 0 "[ . 1]"
15 . 1 23 LYS C 1 24 THR N 1 24 THR CA 1 24 THR C -90.00 -30.00 -69.97 -77.03 -60.70 . . 0 "[ . 1]"
16 . 1 24 THR C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -90.00 -30.00 -70.44 -83.91 -59.91 . . 0 "[ . 1]"
17 . 1 25 LYS C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -90.00 -30.00 -57.20 -58.35 -61.60 . . 0 "[ . 1]"
18 . 1 26 VAL C 1 27 SER N 1 27 SER CA 1 27 SER C -90.00 -30.00 -58.27 -56.27 -57.71 . . 0 "[ . 1]"
19 . 1 27 SER C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -75.00 -45.00 -75.42 -76.03 -74.65 1.03 9 0 "[ . 1]"
20 . 1 28 ASP C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -90.00 -30.00 -57.28 -60.52 -46.10 . . 0 "[ . 1]"
21 . 1 29 ILE C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -90.00 -30.00 -77.07 -91.22 -58.24 1.22 2 0 "[ . 1]"
22 . 1 30 PHE C 1 31 SER N 1 31 SER CA 1 31 SER C -90.00 -30.00 -75.90 -66.29 -71.24 0.73 4 0 "[ . 1]"
23 . 1 31 SER C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -90.00 -30.00 -52.36 -54.51 -55.74 . . 0 "[ . 1]"
24 . 1 32 GLN C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -90.00 -30.00 -92.10 -91.89 -92.95 4.57 6 0 "[ . 1]"
25 . 1 34 GLY C 1 35 SER N 1 35 SER CA 1 35 SER C -155.00 -85.00 -155.18 -156.37 -150.47 1.37 2 0 "[ . 1]"
26 . 1 35 SER C 1 36 CYS N 1 36 CYS CA 1 36 CYS C -160.00 -80.00 -123.06 -116.47 -129.52 . . 0 "[ . 1]"
27 . 1 37 PRO C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -160.00 -80.00 -121.08 -131.22 -134.03 1.22 6 0 "[ . 1]"
28 . 1 40 THR C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -170.00 -70.00 -138.76 -157.67 -121.77 . . 0 "[ . 1]"
29 . 1 41 ALA C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -155.00 -55.00 -89.98 -97.66 -105.92 . . 0 "[ . 1]"
30 . 1 47 GLU C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -180.00 -60.00 -94.91 -155.36 -60.72 . . 0 "[ . 1]"
31 . 1 48 LYS C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -180.00 -60.00 -72.09 -179.38 -58.87 1.13 1 0 "[ . 1]"
32 . 1 49 ASP C 1 50 THR N 1 50 THR CA 1 50 THR C -160.00 -80.00 -123.52 -160.39 -79.01 0.99 7 0 "[ . 1]"
33 . 1 56 TYR C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -160.00 -80.00 -124.58 -152.60 -93.65 . . 0 "[ . 1]"
34 . 1 57 VAL C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -160.00 -80.00 -161.82 -161.05 -161.43 2.96 10 0 "[ . 1]"
35 . 1 58 ALA C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -160.00 -80.00 -139.15 -159.99 -102.94 . . 0 "[ . 1]"
36 . 1 59 LYS C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -160.00 -80.00 -112.69 -109.94 -114.88 . . 0 "[ . 1]"
37 . 1 60 VAL C 1 61 THR N 1 61 THR CA 1 61 THR C -160.00 -80.00 -155.86 -160.84 -128.57 0.84 2 0 "[ . 1]"
38 . 1 61 THR C 1 62 THR N 1 62 THR CA 1 62 THR C -150.00 -90.00 -89.25 -89.86 -88.38 1.62 6 0 "[ . 1]"
39 . 1 64 GLY C 1 65 THR N 1 65 THR CA 1 65 THR C -150.00 -90.00 -149.99 -150.50 -148.34 0.50 6 0 "[ . 1]"
40 . 1 70 GLY C 1 71 GLY N 1 71 GLY CA 1 71 GLY C -160.00 -80.00 -160.67 -161.49 -159.38 1.49 4 0 "[ . 1]"
41 . 1 72 CYS C 1 73 THR N 1 73 THR CA 1 73 THR C -160.00 -80.00 -102.22 -95.40 -98.63 . . 0 "[ . 1]"
42 . 1 73 THR C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -160.00 -80.00 -90.52 -98.98 -79.64 0.36 1 0 "[ . 1]"
43 . 1 74 ILE C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -160.00 -80.00 -116.59 -118.20 -123.89 . . 0 "[ . 1]"
44 . 1 75 VAL C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -160.00 -80.00 -106.20 -101.46 -104.67 . . 0 "[ . 1]"
45 . 1 76 ALA C 1 77 THR N 1 77 THR CA 1 77 THR C -160.00 -80.00 -138.63 -139.47 -147.98 . . 0 "[ . 1]"
46 . 1 77 THR C 1 78 MET N 1 78 MET CA 1 78 MET C -160.00 -80.00 -128.34 -124.82 -134.08 . . 0 "[ . 1]"
47 . 1 78 MET C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -160.00 -80.00 -123.86 -136.78 -109.01 . . 0 "[ . 1]"
48 . 1 80 ALA C 1 81 SER N 1 81 SER CA 1 81 SER C -160.00 -80.00 -87.09 -79.78 -82.86 1.72 5 0 "[ . 1]"
49 . 1 81 SER C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -170.00 -70.00 -157.83 -171.73 -124.42 1.73 3 0 "[ . 1]"
50 . 1 90 LYS C 1 91 THR N 1 91 THR CA 1 91 THR C -160.00 -80.00 -112.83 -105.02 -106.56 . . 0 "[ . 1]"
51 . 1 91 THR C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -160.00 -80.00 -149.59 -160.33 -142.03 0.33 2 0 "[ . 1]"
52 . 1 92 LEU C 1 93 THR N 1 93 THR CA 1 93 THR C -160.00 -80.00 -113.32 -132.32 -148.65 . . 0 "[ . 1]"
53 . 1 93 THR C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -160.00 -80.00 -138.36 -131.40 -133.17 0.04 9 0 "[ . 1]"
54 . 1 94 LEU C 1 95 THR N 1 95 THR CA 1 95 THR C -160.00 -80.00 -118.43 -89.20 -109.43 0.22 9 0 "[ . 1]"
55 . 1 95 THR C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -160.00 -80.00 -112.55 -121.80 -122.54 . . 0 "[ . 1]"
56 . 1 96 LEU C 1 97 GLY N 1 97 GLY CA 1 97 GLY C -160.00 -80.00 -126.77 -125.82 -131.40 1.04 9 0 "[ . 1]"
57 . 1 97 GLY C 1 98 ASN N 1 98 ASN CA 1 98 ASN C -160.00 -80.00 -84.07 -79.43 -79.54 1.65 10 0 "[ . 1]"
58 . 1 104 TYR C 1 105 THR N 1 105 THR CA 1 105 THR C -160.00 -80.00 -145.83 -160.28 -100.28 0.28 3 0 "[ . 1]"
59 . 1 105 THR C 1 106 TRP N 1 106 TRP CA 1 106 TRP C -160.00 -80.00 -133.17 -131.71 -141.36 . . 0 "[ . 1]"
60 . 1 106 TRP C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -160.00 -80.00 -112.24 -105.44 -114.58 0.16 4 0 "[ . 1]"
61 . 1 107 ALA C 1 108 CYS N 1 108 CYS CA 1 108 CYS C -160.00 -80.00 -85.45 -146.34 -78.89 1.11 5 0 "[ . 1]"
62 . 1 108 CYS C 1 109 THR N 1 109 THR CA 1 109 THR C -160.00 -80.00 -159.52 -161.76 -149.06 1.76 2 0 "[ . 1]"
63 . 1 109 THR C 1 110 SER N 1 110 SER CA 1 110 SER C -160.00 -80.00 -85.45 -102.65 -78.42 1.58 8 0 "[ . 1]"
64 . 1 110 SER C 1 111 ASN N 1 111 ASN CA 1 111 ASN C -150.00 -90.00 -129.13 -132.63 -138.32 . . 0 "[ . 1]"
65 . 1 111 ASN C 1 112 ALA N 1 112 ALA CA 1 112 ALA C 170.00 -130.00 -145.83 -177.41 -129.42 0.58 9 0 "[ . 1]"
66 . 1 115 LYS C 1 116 TYR N 1 116 TYR CA 1 116 TYR C -160.00 -80.00 -116.20 -153.29 -79.28 0.72 3 0 "[ . 1]"
67 . 1 120 THR C 1 121 CYS N 1 121 CYS CA 1 121 CYS C -160.00 -80.00 -102.79 -156.68 -79.50 0.50 9 0 "[ . 1]"
68 . 1 121 CYS C 1 122 GLN N 1 122 GLN CA 1 122 GLN C -150.00 -90.00 -92.64 -104.55 -89.72 0.28 5 0 "[ . 1]"
69 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 ARG N -140.00 80.00 9.28 31.73 -23.37 . . 0 "[ . 1]"
70 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 ALA N -140.00 80.00 30.24 -36.40 59.52 . . 0 "[ . 1]"
71 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 GLN N -140.00 80.00 3.61 -56.84 66.13 . . 0 "[ . 1]"
72 . 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 LEU N -140.00 80.00 -30.39 -32.72 -28.14 . . 0 "[ . 1]"
73 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 SER N -140.00 80.00 -48.10 -46.21 -51.51 . . 0 "[ . 1]"
74 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 GLU N -140.00 80.00 -45.27 -41.82 -47.69 . . 0 "[ . 1]"
75 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ALA N -140.00 80.00 -30.41 -33.08 -27.46 . . 0 "[ . 1]"
76 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 MET N -140.00 80.00 -58.63 -60.96 -62.05 . . 0 "[ . 1]"
77 . 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 THR N -140.00 80.00 -35.79 -34.95 -38.90 . . 0 "[ . 1]"
78 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 LEU N -140.00 80.00 -41.92 -34.81 -35.12 . . 0 "[ . 1]"
79 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 ALA N -140.00 80.00 -32.30 -42.65 -28.28 . . 0 "[ . 1]"
80 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 SER N -140.00 80.00 -51.99 -59.48 -64.03 . . 0 "[ . 1]"
81 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 GLY N -140.00 80.00 -40.20 -36.34 -36.47 . . 0 "[ . 1]"
82 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 LYS N -140.00 80.00 -43.68 -55.59 -25.14 . . 0 "[ . 1]"
83 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 THR N -140.00 80.00 -42.57 -39.29 -41.96 . . 0 "[ . 1]"
84 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 LYS N -140.00 80.00 -31.26 -32.49 -46.19 . . 0 "[ . 1]"
85 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 VAL N -140.00 80.00 -54.77 -67.62 -47.62 . . 0 "[ . 1]"
86 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 SER N -140.00 80.00 -38.03 -45.26 -29.90 . . 0 "[ . 1]"
87 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 ASP N -140.00 80.00 -32.83 -35.66 -25.13 . . 0 "[ . 1]"
88 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 ILE N -140.00 80.00 -32.52 -34.09 -36.48 . . 0 "[ . 1]"
89 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 PHE N -140.00 80.00 -46.15 -41.31 -59.09 . . 0 "[ . 1]"
90 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 SER N -140.00 80.00 -27.92 -34.37 -17.09 . . 0 "[ . 1]"
91 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 GLN N -140.00 80.00 -26.36 -42.54 -16.72 . . 0 "[ . 1]"
92 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 ASP N -140.00 80.00 -75.02 -83.86 -55.92 . . 0 "[ . 1]"
93 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 GLY N -140.00 80.00 -12.55 -36.50 20.20 . . 0 "[ . 1]"
94 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 CYS N 20.00 -140.00 -155.79 -159.03 -162.12 . . 0 "[ . 1]"
95 . 1 37 PRO N 1 37 PRO CA 1 37 PRO C 1 38 ALA N 20.00 -140.00 -176.74 -165.12 -165.17 . . 0 "[ . 1]"
96 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 ASN N 20.00 -140.00 110.60 85.03 69.91 . . 0 "[ . 1]"
97 . 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 THR N 20.00 -140.00 68.73 64.67 29.01 . . 0 "[ . 1]"
98 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 ALA N -140.00 80.00 -32.55 -35.36 -30.70 . . 0 "[ . 1]"
99 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 THR N 20.00 -140.00 -170.45 -165.18 -172.67 . . 0 "[ . 1]"
100 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 ALA N 20.00 -140.00 36.67 25.43 171.56 . . 0 "[ . 1]"
101 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 ASP N -140.00 80.00 -36.61 -46.54 -47.20 . . 0 "[ . 1]"
102 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 ILE N -140.00 80.00 -64.57 -66.22 -88.78 . . 0 "[ . 1]"
103 . 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 ASN N 20.00 -140.00 86.04 86.52 63.48 . . 0 "[ . 1]"
104 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 TYR N -140.00 80.00 -0.91 -63.68 65.30 . . 0 "[ . 1]"
105 . 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 VAL N -140.00 80.00 23.21 37.29 29.51 . . 0 "[ . 1]"
106 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 ALA N 20.00 -140.00 19.06 21.01 19.98 2.39 10 0 "[ . 1]"
107 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 LYS N 20.00 -140.00 132.06 129.86 103.34 . . 0 "[ . 1]"
108 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 VAL N 20.00 -140.00 86.26 63.48 101.08 . . 0 "[ . 1]"
109 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 THR N 20.00 -140.00 151.24 154.01 144.77 . . 0 "[ . 1]"
110 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 THR N 20.00 -140.00 160.46 158.35 162.29 . . 0 "[ . 1]"
111 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 GLY N 20.00 -140.00 159.42 173.16 164.94 . . 0 "[ . 1]"
112 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 GLY N 20.00 -140.00 161.24 140.99 176.06 . . 0 "[ . 1]"
113 . 1 64 GLY N 1 64 GLY CA 1 64 GLY C 1 65 THR N 20.00 -140.00 -164.86 -147.31 -159.12 . . 0 "[ . 1]"
114 . 1 65 THR N 1 65 THR CA 1 65 THR C 1 66 ALA N 20.00 -140.00 90.97 93.00 91.71 . . 0 "[ . 1]"
115 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 ALA N 20.00 -140.00 -169.00 -166.77 -169.84 . . 0 "[ . 1]"
116 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 ALA N 20.00 -140.00 69.51 37.03 100.94 . . 0 "[ . 1]"
117 . 1 72 CYS N 1 72 CYS CA 1 72 CYS C 1 73 THR N 20.00 -140.00 120.08 116.64 113.19 . . 0 "[ . 1]"
118 . 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 ILE N 20.00 -140.00 96.12 90.68 87.65 . . 0 "[ . 1]"
119 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 VAL N 20.00 -140.00 139.16 133.74 147.87 . . 0 "[ . 1]"
120 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ALA N 20.00 -140.00 121.41 119.35 119.04 . . 0 "[ . 1]"
121 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 THR N 20.00 -140.00 147.68 115.80 160.85 . . 0 "[ . 1]"
122 . 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 MET N 20.00 -140.00 153.43 130.00 170.57 . . 0 "[ . 1]"
123 . 1 78 MET N 1 78 MET CA 1 78 MET C 1 79 LYS N 20.00 -140.00 110.04 107.83 106.17 . . 0 "[ . 1]"
124 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 ALA N 20.00 -140.00 150.94 141.16 123.33 . . 0 "[ . 1]"
125 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 SER N -140.00 80.00 26.78 31.59 26.82 . . 0 "[ . 1]"
126 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 ASP N -140.00 80.00 -142.49 -144.06 -141.85 4.06 3 0 "[ . 1]"
127 . 1 82 ASP N 1 83 VAL CA 1 82 ASP C 1 83 VAL N -140.00 80.00 -1.39 -27.98 44.12 . . 0 "[ . 1]"
128 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 ALA N 20.00 -140.00 163.32 169.37 144.99 . . 0 "[ . 1]"
129 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 THR N 20.00 -140.00 145.97 161.14 152.78 . . 0 "[ . 1]"
130 . 1 86 PRO N 1 86 PRO CA 1 86 PRO C 1 87 LEU N -140.00 80.00 -21.93 -23.41 -30.42 . . 0 "[ . 1]"
131 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 ARG N -140.00 80.00 -40.15 -49.19 -70.70 . . 0 "[ . 1]"
132 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 THR N 20.00 -140.00 -164.78 -159.15 -162.67 . . 0 "[ . 1]"
133 . 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 LEU N 20.00 -140.00 155.36 164.63 160.52 . . 0 "[ . 1]"
134 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 THR N 20.00 -140.00 125.68 95.34 157.27 . . 0 "[ . 1]"
135 . 1 93 THR N 1 93 THR CA 1 93 THR C 1 94 LEU N 20.00 -140.00 145.14 131.43 161.55 . . 0 "[ . 1]"
136 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 THR N 20.00 -140.00 149.93 119.00 -175.60 . . 0 "[ . 1]"
137 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 LEU N 20.00 -140.00 155.69 158.87 154.45 . . 0 "[ . 1]"
138 . 1 98 ASN N 1 98 ASN CA 1 98 ASN C 1 99 ALA N -140.00 80.00 -20.89 -27.81 -29.67 . . 0 "[ . 1]"
139 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 ASP N -140.00 80.00 27.55 8.91 -0.30 . . 0 "[ . 1]"
140 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 LYS N -140.00 80.00 -10.72 -62.30 47.07 . . 0 "[ . 1]"
141 . 1 103 SER N 1 103 SER CA 1 103 SER C 1 104 TYR N 20.00 -140.00 34.49 21.23 96.83 . . 0 "[ . 1]"
142 . 1 104 TYR N 1 104 TYR CA 1 104 TYR C 1 105 THR N 20.00 -140.00 139.94 136.97 136.71 . . 0 "[ . 1]"
143 . 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 TRP N 20.00 -140.00 159.70 167.80 162.57 . . 0 "[ . 1]"
144 . 1 106 TRP N 1 106 TRP CA 1 106 TRP C 1 107 ALA N 20.00 -140.00 134.14 108.09 153.86 . . 0 "[ . 1]"
145 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 CYS N 20.00 -140.00 113.33 85.46 176.09 . . 0 "[ . 1]"
146 . 1 108 CYS N 1 108 CYS CA 1 108 CYS C 1 109 THR N 20.00 -140.00 143.41 133.20 163.71 . . 0 "[ . 1]"
147 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 SER N 20.00 -140.00 77.06 60.96 114.64 . . 0 "[ . 1]"
148 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 ASN N 20.00 -140.00 152.60 143.45 160.41 . . 0 "[ . 1]"
149 . 1 111 ASN N 1 111 ASN CA 1 111 ASN C 1 112 ALA N -140.00 80.00 57.58 57.96 56.61 . . 0 "[ . 1]"
150 . 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 ASP N 20.00 -140.00 128.09 71.57 -163.06 . . 0 "[ . 1]"
151 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 ASN N 20.00 -140.00 83.77 32.32 111.86 . . 0 "[ . 1]"
152 . 1 114 ASN N 1 114 ASN CA 1 114 ASN C 1 115 LYS N -140.00 80.00 66.52 80.12 79.74 0.60 4 0 "[ . 1]"
153 . 1 121 CYS N 1 121 CYS CA 1 121 CYS C 1 122 GLN N 20.00 -140.00 144.90 105.37 -172.48 . . 0 "[ . 1]"
154 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 ALA N 20.00 -140.00 118.58 129.01 127.87 . . 0 "[ . 1]"
155 . 1 3 GLU N 1 3 GLU CA 1 3 GLU CB 1 3 GLU CG -90.00 -30.00 -72.38 -90.07 -57.48 0.07 2 0 "[ . 1]"
156 . 1 12 LEU N 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG 150.00 -150.00 -155.23 -154.35 -157.40 0.11 9 0 "[ . 1]"
157 . 1 14 GLU N 1 14 GLU CA 1 14 GLU CB 1 14 GLU CG 150.00 -150.00 -159.11 -168.66 -151.88 . . 0 "[ . 1]"
158 . 1 17 THR N 1 17 THR CA 1 17 THR CB 1 17 THR OG1 -90.00 -30.00 -51.08 -52.47 -48.35 . . 0 "[ . 1]"
159 . 1 18 LEU N 1 18 LEU CA 1 18 LEU CB 1 18 LEU CG 150.00 -150.00 -166.62 -179.92 -150.01 . . 0 "[ . 1]"
160 . 1 29 ILE N 1 29 ILE CA 1 29 ILE CB 1 29 ILE CG1 -90.00 -30.00 -59.39 -59.37 -60.14 . . 0 "[ . 1]"
161 . 1 30 PHE N 1 30 PHE CA 1 30 PHE CB 1 30 PHE CG 150.00 -150.00 168.58 161.22 -177.77 . . 0 "[ . 1]"
162 . 1 33 ASP N 1 33 ASP CA 1 33 ASP CB 1 33 ASP CG -90.00 -30.00 -81.27 -69.87 -73.77 . . 0 "[ . 1]"
163 . 1 35 SER N 1 35 SER CA 1 35 SER CB 1 35 SER OG 150.00 -150.00 -166.29 -169.38 -173.64 . . 0 "[ . 1]"
164 . 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG -90.00 -30.00 -56.12 -51.19 -57.06 4.19 6 0 "[ . 1]"
165 . 1 39 ASN N 1 39 ASN CA 1 39 ASN CB 1 39 ASN CG -90.00 -30.00 -72.86 -84.33 -90.43 0.58 1 0 "[ . 1]"
166 . 1 46 ILE N 1 46 ILE CA 1 46 ILE CB 1 46 ILE CG1 -90.00 -30.00 -44.84 -57.10 -29.31 0.69 5 0 "[ . 1]"
167 . 1 48 LYS N 1 48 LYS CA 1 48 LYS CB 1 48 LYS CG -90.00 -30.00 -59.68 -71.04 -52.27 . . 0 "[ . 1]"
168 . 1 49 ASP N 1 49 ASP CA 1 49 ASP CB 1 49 ASP CG 150.00 -150.00 -153.13 -151.74 -159.07 0.80 9 0 "[ . 1]"
169 . 1 51 ASP N 1 51 ASP CA 1 51 ASP CB 1 51 ASP CG -90.00 -30.00 -62.18 -65.95 -71.84 . . 0 "[ . 1]"
170 . 1 52 ILE N 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 -90.00 -30.00 -53.21 -52.50 -53.62 . . 0 "[ . 1]"
171 . 1 56 TYR N 1 56 TYR CA 1 56 TYR CB 1 56 TYR CG -90.00 -30.00 -75.90 -90.27 -50.50 0.27 9 0 "[ . 1]"
172 . 1 61 THR N 1 61 THR CA 1 61 THR CB 1 61 THR OG1 -90.00 -30.00 -51.46 -53.28 -46.38 . . 0 "[ . 1]"
173 . 1 65 THR N 1 65 THR CA 1 65 THR CB 1 65 THR OG1 -90.00 -30.00 -52.66 -53.72 -51.63 . . 0 "[ . 1]"
174 . 1 72 CYS N 1 72 CYS CA 1 72 CYS CB 1 72 CYS SG -90.00 -30.00 -75.19 -70.83 -90.64 3.01 10 0 "[ . 1]"
175 . 1 74 ILE N 1 74 ILE CA 1 74 ILE CB 1 74 ILE CG1 -90.00 -30.00 -63.58 -62.35 -63.43 . . 0 "[ . 1]"
176 . 1 77 THR N 1 77 THR CA 1 77 THR CB 1 77 THR OG1 -90.00 -30.00 -41.11 -51.26 -29.84 0.16 4 0 "[ . 1]"
177 . 1 93 THR N 1 93 THR CA 1 93 THR CB 1 93 THR OG1 -90.00 -30.00 -49.64 -60.30 -42.88 . . 0 "[ . 1]"
178 . 1 95 THR N 1 95 THR CA 1 95 THR CB 1 95 THR OG1 -90.00 -30.00 -42.57 -35.83 -41.80 . . 0 "[ . 1]"
179 . 1 104 TYR N 1 104 TYR CA 1 104 TYR CB 1 104 TYR CG -90.00 -30.00 -61.50 -67.31 -55.67 . . 0 "[ . 1]"
180 . 1 116 TYR N 1 116 TYR CA 1 116 TYR CB 1 116 TYR CG -90.00 -30.00 -76.03 -88.54 -54.23 . . 0 "[ . 1]"
181 . 1 121 CYS N 1 121 CYS CA 1 121 CYS CB 1 121 CYS SG -90.00 -30.00 -63.68 -58.80 -65.08 0.68 8 0 "[ . 1]"
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