NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423746 |
2fe0   |
6910 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2fe0
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 198
_TA_constraint_stats_list.Viol_count 250
_TA_constraint_stats_list.Viol_total 5508.00
_TA_constraint_stats_list.Viol_max 2.69
_TA_constraint_stats_list.Viol_rms 0.25
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 0.92
_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 16 SER C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -147.00 -67.00 -138.71 -146.28 -122.59 . . 0 "[ . 1 . 2 ]"
2 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 THR N 96.00 180.00 137.50 133.92 143.11 . . 0 "[ . 1 . 2 ]"
3 . 1 17 VAL C 1 18 THR N 1 18 THR CA 1 18 THR C -139.00 -63.00 -130.23 -137.43 -122.28 . . 0 "[ . 1 . 2 ]"
4 . 1 18 THR N 1 18 THR CA 1 18 THR C 1 19 TYR N 92.00 156.00 139.30 138.02 134.80 . . 0 "[ . 1 . 2 ]"
5 . 1 18 THR C 1 19 TYR N 1 19 TYR CA 1 19 TYR C -132.00 -68.00 -115.89 -132.22 -75.99 0.22 14 0 "[ . 1 . 2 ]"
6 . 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 VAL N 70.00 -178.00 167.18 158.36 174.28 . . 0 "[ . 1 . 2 ]"
7 . 1 22 GLY C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -178.00 -34.00 -93.35 -86.14 -88.60 . . 0 "[ . 1 . 2 ]"
8 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 PRO N 103.00 -173.00 147.25 149.39 149.38 . . 0 "[ . 1 . 2 ]"
9 . 1 25 THR C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -170.00 -90.00 -115.98 -124.58 -127.39 . . 0 "[ . 1 . 2 ]"
10 . 1 26 PHE N 1 26 PHE CA 1 26 PHE C 1 27 VAL N 117.00 -179.00 138.45 140.04 139.16 . . 0 "[ . 1 . 2 ]"
11 . 1 26 PHE C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -145.00 -41.00 -128.50 -131.94 -134.05 . . 0 "[ . 1 . 2 ]"
12 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 GLY N 97.00 177.00 139.49 127.17 126.72 . . 0 "[ . 1 . 2 ]"
13 . 1 29 GLU C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -173.00 -57.00 -90.13 -92.10 -92.83 . . 0 "[ . 1 . 2 ]"
14 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 VAL N 101.00 169.00 122.44 129.19 128.28 . . 0 "[ . 1 . 2 ]"
15 . 1 30 GLU C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -139.00 -75.00 -120.20 -120.37 -120.98 . . 0 "[ . 1 . 2 ]"
16 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 THR N 94.00 154.00 135.69 129.38 145.81 . . 0 "[ . 1 . 2 ]"
17 . 1 31 VAL C 1 32 THR N 1 32 THR CA 1 32 THR C -148.00 -88.00 -142.00 -139.96 -141.83 0.44 4 0 "[ . 1 . 2 ]"
18 . 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 LYS N 111.00 171.00 157.97 131.72 172.58 1.58 21 0 "[ . 1 . 2 ]"
19 . 1 32 THR C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -137.00 -37.00 -106.87 -97.54 -104.41 . . 0 "[ . 1 . 2 ]"
20 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 GLY N 97.00 165.00 118.29 132.73 132.35 1.55 20 0 "[ . 1 . 2 ]"
21 . 1 36 GLU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -176.50 -42.10 -92.32 -91.77 -98.35 . . 0 "[ . 1 . 2 ]"
22 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 ASP N 115.00 -159.40 155.05 148.89 144.89 . . 0 "[ . 1 . 2 ]"
23 . 1 41 LEU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -170.00 -78.00 -108.49 -113.13 -119.25 . . 0 "[ . 1 . 2 ]"
24 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 PHE N 108.00 168.00 130.69 130.37 129.19 . . 0 "[ . 1 . 2 ]"
25 . 1 42 LEU C 1 43 PHE N 1 43 PHE CA 1 43 PHE C -142.00 -78.00 -109.51 -109.03 -109.19 . . 0 "[ . 1 . 2 ]"
26 . 1 43 PHE N 1 43 PHE CA 1 43 PHE C 1 44 ARG N 100.00 160.00 128.57 125.18 124.26 . . 0 "[ . 1 . 2 ]"
27 . 1 43 PHE C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -147.00 -63.00 -85.94 -99.31 -76.67 . . 0 "[ . 1 . 2 ]"
28 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 ILE N 84.00 144.00 111.00 97.87 127.74 . . 0 "[ . 1 . 2 ]"
29 . 1 44 ARG C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -158.00 -66.00 -99.98 -99.64 -103.74 . . 0 "[ . 1 . 2 ]"
30 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 VAL N 99.00 159.00 129.66 129.37 128.99 . . 0 "[ . 1 . 2 ]"
31 . 1 45 ILE C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -142.00 -82.00 -133.20 -132.65 -132.96 . . 0 "[ . 1 . 2 ]"
32 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 ASN N 100.00 160.00 128.47 123.71 132.44 . . 0 "[ . 1 . 2 ]"
33 . 1 46 VAL C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -148.00 -64.00 -107.38 -106.49 -106.97 . . 0 "[ . 1 . 2 ]"
34 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 LYS N 86.00 154.00 102.64 103.48 103.03 . . 0 "[ . 1 . 2 ]"
35 . 1 47 ASN C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -92.00 -32.00 -55.03 -60.07 -52.42 . . 0 "[ . 1 . 2 ]"
36 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 LYS N -73.00 -13.00 -30.97 -30.85 -31.40 . . 0 "[ . 1 . 2 ]"
37 . 1 48 LYS C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -103.00 -43.00 -52.85 -59.34 -45.32 . . 0 "[ . 1 . 2 ]"
38 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 LYS N -70.00 10.00 -63.88 -61.76 -65.20 0.99 7 0 "[ . 1 . 2 ]"
39 . 1 49 LYS C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -115.00 -51.00 -98.52 -109.20 -87.60 . . 0 "[ . 1 . 2 ]"
40 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 LYS N -45.00 27.00 -3.71 -5.08 -5.45 . . 0 "[ . 1 . 2 ]"
41 . 1 51 LYS C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -160.10 -98.30 -99.22 -101.02 -102.38 2.09 21 0 "[ . 1 . 2 ]"
42 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 TRP N 111.60 171.60 126.42 121.39 129.99 . . 0 "[ . 1 . 2 ]"
43 . 1 52 GLN C 1 53 TRP N 1 53 TRP CA 1 53 TRP C -162.00 -82.00 -84.40 -88.65 -81.08 0.92 22 0 "[ . 1 . 2 ]"
44 . 1 53 TRP N 1 53 TRP CA 1 53 TRP C 1 54 ALA N 108.00 180.00 146.15 140.63 153.81 . . 0 "[ . 1 . 2 ]"
45 . 1 53 TRP C 1 54 ALA N 1 54 ALA CA 1 54 ALA C 173.00 -83.00 -144.56 -146.39 -147.43 . . 0 "[ . 1 . 2 ]"
46 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 TYR N 121.00 -179.00 147.99 147.05 146.32 . . 0 "[ . 1 . 2 ]"
47 . 1 54 ALA C 1 55 TYR N 1 55 TYR CA 1 55 TYR C 177.00 -79.00 -124.86 -130.34 -120.31 . . 0 "[ . 1 . 2 ]"
48 . 1 55 TYR N 1 55 TYR CA 1 55 TYR C 1 56 TYR N 113.00 173.00 139.29 138.83 138.51 . . 0 "[ . 1 . 2 ]"
49 . 1 55 TYR C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -156.00 -96.00 -124.06 -131.78 -118.09 . . 0 "[ . 1 . 2 ]"
50 . 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 ASN N 103.00 163.00 123.15 125.31 124.21 . . 0 "[ . 1 . 2 ]"
51 . 1 56 TYR C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -130.00 -62.00 -90.26 -99.30 -79.82 . . 0 "[ . 1 . 2 ]"
52 . 1 57 ASN N 1 57 ASN CA 1 57 ASN C 1 58 ASP N 96.00 156.00 128.13 127.51 125.57 . . 0 "[ . 1 . 2 ]"
53 . 1 57 ASN C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -164.00 -68.00 -101.46 -113.44 -78.68 . . 0 "[ . 1 . 2 ]"
54 . 1 58 ASP C 1 59 THR N 1 59 THR CA 1 59 THR C -167.00 -59.00 -58.94 -63.50 -56.96 2.04 1 0 "[ . 1 . 2 ]"
55 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 THR N 85.00 165.00 124.91 111.51 165.41 0.41 18 0 "[ . 1 . 2 ]"
56 . 1 60 THR C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -179.00 -95.00 -119.49 -140.62 -94.41 0.59 21 0 "[ . 1 . 2 ]"
57 . 1 61 GLN C 1 62 TYR N 1 62 TYR CA 1 62 TYR C -172.00 -80.00 -127.86 -139.89 -113.39 . . 0 "[ . 1 . 2 ]"
58 . 1 62 TYR N 1 62 TYR CA 1 62 TYR C 1 63 GLU N 119.00 179.00 145.24 141.52 138.23 . . 0 "[ . 1 . 2 ]"
59 . 1 62 TYR C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -162.00 -94.00 -92.54 -93.97 -91.55 2.45 20 0 "[ . 1 . 2 ]"
60 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 MET N 107.00 171.00 144.88 142.53 138.90 . . 0 "[ . 1 . 2 ]"
61 . 1 63 GLU C 1 64 MET N 1 64 MET CA 1 64 MET C -149.00 -73.00 -93.50 -97.68 -87.98 . . 0 "[ . 1 . 2 ]"
62 . 1 64 MET N 1 64 MET CA 1 64 MET C 1 65 HIS N 83.00 143.00 120.62 116.82 125.81 . . 0 "[ . 1 . 2 ]"
63 . 1 64 MET C 1 65 HIS N 1 65 HIS CA 1 65 HIS C -148.00 -32.00 -105.44 -109.07 -109.67 . . 0 "[ . 1 . 2 ]"
64 . 1 65 HIS N 1 65 HIS CA 1 65 HIS C 1 66 VAL N 100.00 160.00 123.34 109.93 131.57 . . 0 "[ . 1 . 2 ]"
65 . 1 65 HIS C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -123.00 -63.00 -103.64 -102.98 -103.74 . . 0 "[ . 1 . 2 ]"
66 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 LEU N 93.00 153.00 131.39 131.97 131.19 . . 0 "[ . 1 . 2 ]"
67 . 1 66 VAL C 1 67 LEU N 1 67 LEU CA 1 67 LEU C -142.00 -74.00 -142.78 -144.13 -141.48 2.13 4 0 "[ . 1 . 2 ]"
68 . 1 67 LEU N 1 67 LEU CA 1 67 LEU C 1 68 VAL N 93.00 153.00 92.21 91.00 95.27 2.00 13 0 "[ . 1 . 2 ]"
69 . 1 67 LEU C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -145.00 -85.00 -113.48 -112.14 -112.41 . . 0 "[ . 1 . 2 ]"
70 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 THR N 99.00 159.00 133.10 133.45 132.84 . . 0 "[ . 1 . 2 ]"
71 . 1 68 VAL C 1 69 THR N 1 69 THR CA 1 69 THR C -138.00 -78.00 -110.21 -114.80 -105.20 . . 0 "[ . 1 . 2 ]"
72 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 PHE N 95.00 155.00 135.41 134.85 134.59 . . 0 "[ . 1 . 2 ]"
73 . 1 69 THR C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -142.00 -46.00 -118.85 -126.93 -115.41 . . 0 "[ . 1 . 2 ]"
74 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 ASN N 110.00 170.00 162.31 163.01 161.09 . . 0 "[ . 1 . 2 ]"
75 . 1 71 ASN C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -99.00 -39.00 -48.22 -49.96 -43.07 . . 0 "[ . 1 . 2 ]"
76 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 ASP N -55.00 5.00 -46.92 -46.21 -47.58 . . 0 "[ . 1 . 2 ]"
77 . 1 75 ASP C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -168.00 -96.00 -122.76 -131.25 -100.17 . . 0 "[ . 1 . 2 ]"
78 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 LYS N 123.00 -173.00 157.95 153.08 162.62 . . 0 "[ . 1 . 2 ]"
79 . 1 76 ILE C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -166.00 -78.00 -136.29 -148.25 -126.17 . . 0 "[ . 1 . 2 ]"
80 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 ALA N 117.00 -171.00 169.59 160.21 -169.76 1.24 11 0 "[ . 1 . 2 ]"
81 . 1 77 LYS C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -143.00 -51.00 -101.46 -97.76 -101.18 . . 0 "[ . 1 . 2 ]"
82 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 LEU N 99.00 171.00 139.37 138.81 137.27 . . 0 "[ . 1 . 2 ]"
83 . 1 81 LYS C 1 82 THR N 1 82 THR CA 1 82 THR C -107.00 -45.40 -46.68 -46.41 -46.93 1.02 16 0 "[ . 1 . 2 ]"
84 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 LYS N 94.60 155.40 118.09 109.47 124.76 . . 0 "[ . 1 . 2 ]"
85 . 1 82 THR C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -157.00 -65.00 -81.53 -81.98 -82.50 . . 0 "[ . 1 . 2 ]"
86 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 LEU N 89.00 177.00 124.04 118.41 130.02 . . 0 "[ . 1 . 2 ]"
87 . 1 83 LYS C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -151.00 -75.00 -117.73 -115.21 -116.25 . . 0 "[ . 1 . 2 ]"
88 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLU N 117.00 177.00 130.04 128.57 127.87 . . 0 "[ . 1 . 2 ]"
89 . 1 84 LEU C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -158.00 -78.00 -152.17 -156.00 -147.84 . . 0 "[ . 1 . 2 ]"
90 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 GLN N 99.00 159.00 152.54 146.30 157.70 . . 0 "[ . 1 . 2 ]"
91 . 1 85 GLU C 1 86 GLN N 1 86 GLN CA 1 86 GLN C -108.00 -48.00 -106.27 -108.78 -98.52 0.78 6 0 "[ . 1 . 2 ]"
92 . 1 86 GLN N 1 86 GLN CA 1 86 GLN C 1 87 GLN N 98.00 158.00 151.00 150.70 150.14 . . 0 "[ . 1 . 2 ]"
93 . 1 86 GLN C 1 87 GLN N 1 87 GLN CA 1 87 GLN C -142.00 -70.00 -103.84 -107.88 -96.96 . . 0 "[ . 1 . 2 ]"
94 . 1 87 GLN N 1 87 GLN CA 1 87 GLN C 1 88 GLU N 68.00 -152.00 169.71 165.92 179.07 . . 0 "[ . 1 . 2 ]"
95 . 1 87 GLN C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -96.00 -36.00 -65.83 -65.53 -67.04 . . 0 "[ . 1 . 2 ]"
96 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ASN N -57.00 3.00 -36.50 -41.44 -32.92 . . 0 "[ . 1 . 2 ]"
97 . 1 88 GLU C 1 89 ASN N 1 89 ASN CA 1 89 ASN C -133.00 -53.00 -61.12 -59.72 -60.74 . . 0 "[ . 1 . 2 ]"
98 . 1 89 ASN N 1 89 ASN CA 1 89 ASN C 1 90 GLY N -24.00 36.00 -24.03 -25.68 0.73 1.68 8 0 "[ . 1 . 2 ]"
99 . 1 91 GLU C 1 92 TRP N 1 92 TRP CA 1 92 TRP C -172.00 -56.00 -102.99 -102.91 -103.27 . . 0 "[ . 1 . 2 ]"
100 . 1 92 TRP N 1 92 TRP CA 1 92 TRP C 1 93 VAL N 116.00 176.00 137.43 129.34 143.39 . . 0 "[ . 1 . 2 ]"
101 . 1 92 TRP C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -180.00 -40.00 -123.93 -126.85 -127.47 . . 0 "[ . 1 . 2 ]"
102 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 ALA N 104.00 -168.00 134.96 128.62 139.70 . . 0 "[ . 1 . 2 ]"
103 . 1 93 VAL C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -173.00 -61.00 -138.46 -138.44 -138.95 . . 0 "[ . 1 . 2 ]"
104 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 SER N 94.00 -170.00 106.73 101.88 113.88 . . 0 "[ . 1 . 2 ]"
105 . 1 94 ALA C 1 95 SER N 1 95 SER CA 1 95 SER C -168.00 -56.00 -118.23 -115.31 -116.47 . . 0 "[ . 1 . 2 ]"
106 . 1 95 SER N 1 95 SER CA 1 95 SER C 1 96 VAL N 115.00 -177.00 144.28 141.78 146.04 . . 0 "[ . 1 . 2 ]"
107 . 1 95 SER C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -161.00 -101.00 -161.98 -162.38 -162.55 1.93 1 0 "[ . 1 . 2 ]"
108 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 VAL N 91.00 163.00 143.09 144.82 143.93 . . 0 "[ . 1 . 2 ]"
109 . 1 96 VAL C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -132.00 -72.00 -101.88 -111.66 -94.13 . . 0 "[ . 1 . 2 ]"
110 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 VAL N 98.00 158.00 134.92 132.00 139.02 . . 0 "[ . 1 . 2 ]"
111 . 1 102 GLU C 1 103 THR N 1 103 THR CA 1 103 THR C -147.00 -87.00 -126.34 -124.77 -126.64 . . 0 "[ . 1 . 2 ]"
112 . 1 103 THR N 1 103 THR CA 1 103 THR C 1 104 GLU N 111.00 171.00 130.85 116.75 144.76 . . 0 "[ . 1 . 2 ]"
113 . 1 103 THR C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -147.00 -87.00 -124.93 -120.25 -127.92 . . 0 "[ . 1 . 2 ]"
114 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 MET N 96.00 176.00 160.39 158.32 157.49 . . 0 "[ . 1 . 2 ]"
115 . 1 104 GLU C 1 105 MET N 1 105 MET CA 1 105 MET C -114.00 -46.00 -84.32 -82.05 -82.66 . . 0 "[ . 1 . 2 ]"
116 . 1 105 MET N 1 105 MET CA 1 105 MET C 1 106 PHE N 94.00 154.00 152.92 142.44 155.59 1.59 4 0 "[ . 1 . 2 ]"
117 . 1 105 MET C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -162.00 -62.00 -112.89 -115.77 -116.00 . . 0 "[ . 1 . 2 ]"
118 . 1 106 PHE C 1 107 ILE N 1 107 ILE CA 1 107 ILE C -159.00 -99.00 -127.92 -135.79 -121.04 . . 0 "[ . 1 . 2 ]"
119 . 1 107 ILE N 1 107 ILE CA 1 107 ILE C 1 108 GLU N 127.00 -173.00 159.66 154.78 163.90 . . 0 "[ . 1 . 2 ]"
120 . 1 107 ILE C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -156.00 -96.00 -136.21 -135.70 -137.07 . . 0 "[ . 1 . 2 ]"
121 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 GLY N 108.00 180.00 164.25 155.15 154.64 2.69 7 0 "[ . 1 . 2 ]"
122 . 1 109 GLY C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -134.00 -54.00 -94.48 -96.95 -88.77 . . 0 "[ . 1 . 2 ]"
123 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 VAL N 84.00 180.00 140.40 141.28 140.80 . . 0 "[ . 1 . 2 ]"
124 . 1 110 ARG C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -145.00 -81.00 -122.50 -132.96 -109.57 . . 0 "[ . 1 . 2 ]"
125 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 ASN N 101.00 161.00 134.96 135.30 133.60 . . 0 "[ . 1 . 2 ]"
126 . 1 112 ASN N 1 112 ASN CA 1 112 ASN C 1 113 GLY N 95.70 156.70 119.89 121.38 121.10 . . 0 "[ . 1 . 2 ]"
127 . 1 113 GLY C 1 114 PHE N 1 114 PHE CA 1 114 PHE C -170.00 -10.00 -144.74 -140.10 -144.04 . . 0 "[ . 1 . 2 ]"
128 . 1 114 PHE C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -166.00 -106.00 -109.84 -110.30 -113.83 0.58 5 0 "[ . 1 . 2 ]"
129 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 SER N 99.00 179.00 130.26 122.02 135.58 . . 0 "[ . 1 . 2 ]"
130 . 1 115 LYS C 1 116 SER N 1 116 SER CA 1 116 SER C -169.70 -71.90 -112.04 -113.14 -113.86 . . 0 "[ . 1 . 2 ]"
131 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 LYS N 97.20 158.40 134.04 133.78 133.49 . . 0 "[ . 1 . 2 ]"
132 . 1 116 SER C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -153.00 -65.00 -138.48 -142.89 -129.67 . . 0 "[ . 1 . 2 ]"
133 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 MET N 95.00 155.00 121.80 121.69 121.46 . . 0 "[ . 1 . 2 ]"
134 . 1 117 LYS C 1 118 MET N 1 118 MET CA 1 118 MET C -152.50 -58.50 -129.71 -135.40 -118.21 . . 0 "[ . 1 . 2 ]"
135 . 1 118 MET N 1 118 MET CA 1 118 MET C 1 119 ASP N 112.00 172.40 167.29 168.31 167.25 0.55 23 0 "[ . 1 . 2 ]"
136 . 1 118 MET C 1 119 ASP N 1 119 ASP CA 1 119 ASP C -171.00 -85.20 -158.70 -166.59 -149.77 . . 0 "[ . 1 . 2 ]"
137 . 1 119 ASP N 1 119 ASP CA 1 119 ASP C 1 120 ALA N 106.00 178.80 171.70 169.24 174.96 . . 0 "[ . 1 . 2 ]"
138 . 1 119 ASP C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -128.00 -60.00 -125.49 -126.07 -126.86 0.74 22 0 "[ . 1 . 2 ]"
139 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 LEU N 89.00 149.00 90.34 87.24 97.48 1.76 3 0 "[ . 1 . 2 ]"
140 . 1 120 ALA C 1 121 LEU N 1 121 LEU CA 1 121 LEU C -143.00 -58.40 -90.09 -87.37 -88.64 . . 0 "[ . 1 . 2 ]"
141 . 1 121 LEU N 1 121 LEU CA 1 121 LEU C 1 122 PRO N 70.60 170.20 154.45 150.18 166.05 . . 0 "[ . 1 . 2 ]"
142 . 1 122 PRO C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -132.00 -36.00 -61.51 -86.74 -41.35 . . 0 "[ . 1 . 2 ]"
143 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 SER N 83.00 -173.00 114.09 119.49 115.37 . . 0 "[ . 1 . 2 ]"
144 . 1 124 SER C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -96.00 -36.00 -58.07 -66.40 -51.02 . . 0 "[ . 1 . 2 ]"
145 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 GLU N -63.00 -3.00 -29.79 -33.13 -26.02 . . 0 "[ . 1 . 2 ]"
146 . 1 125 GLU C 1 126 GLU N 1 126 GLU CA 1 126 GLU C -97.00 -37.00 -57.46 -57.44 -58.26 . . 0 "[ . 1 . 2 ]"
147 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C 1 127 TYR N -73.00 -13.00 -39.00 -53.40 -33.70 . . 0 "[ . 1 . 2 ]"
148 . 1 126 GLU C 1 127 TYR N 1 127 TYR CA 1 127 TYR C -96.00 -36.00 -62.84 -68.27 -56.13 . . 0 "[ . 1 . 2 ]"
149 . 1 127 TYR N 1 127 TYR CA 1 127 TYR C 1 128 ARG N -71.00 -11.00 -42.55 -40.99 -41.39 . . 0 "[ . 1 . 2 ]"
150 . 1 127 TYR C 1 128 ARG N 1 128 ARG CA 1 128 ARG C -96.00 -36.00 -57.77 -56.57 -57.13 . . 0 "[ . 1 . 2 ]"
151 . 1 128 ARG N 1 128 ARG CA 1 128 ARG C 1 129 GLN N -68.00 -8.00 -41.49 -46.00 -38.83 . . 0 "[ . 1 . 2 ]"
152 . 1 128 ARG C 1 129 GLN N 1 129 GLN CA 1 129 GLN C -96.00 -36.00 -68.68 -71.56 -63.80 . . 0 "[ . 1 . 2 ]"
153 . 1 129 GLN N 1 129 GLN CA 1 129 GLN C 1 130 HIS N -72.00 -12.00 -37.48 -39.17 -35.51 . . 0 "[ . 1 . 2 ]"
154 . 1 129 GLN C 1 130 HIS N 1 130 HIS CA 1 130 HIS C -94.00 -34.00 -57.24 -56.05 -56.61 . . 0 "[ . 1 . 2 ]"
155 . 1 130 HIS N 1 130 HIS CA 1 130 HIS C 1 131 GLN N -71.00 -11.00 -31.09 -29.39 -30.79 . . 0 "[ . 1 . 2 ]"
156 . 1 130 HIS C 1 131 GLN N 1 131 GLN CA 1 131 GLN C -95.00 -35.00 -69.20 -95.23 -48.73 0.23 16 0 "[ . 1 . 2 ]"
157 . 1 131 GLN N 1 131 GLN CA 1 131 GLN C 1 132 ALA N -65.00 -5.00 -28.38 -35.73 -36.63 . . 0 "[ . 1 . 2 ]"
158 . 1 131 GLN C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -95.00 -35.00 -68.71 -65.62 -65.95 . . 0 "[ . 1 . 2 ]"
159 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C 1 133 GLU N -66.00 -6.00 -45.43 -35.51 -36.49 . . 0 "[ . 1 . 2 ]"
160 . 1 132 ALA C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -104.00 -32.00 -62.01 -73.73 -44.26 . . 0 "[ . 1 . 2 ]"
161 . 1 133 GLU N 1 133 GLU CA 1 133 GLU C 1 134 LYS N -61.00 -1.00 -32.75 -30.21 -33.68 . . 0 "[ . 1 . 2 ]"
162 . 1 19 TYR N 1 19 TYR CA 1 19 TYR CB 1 19 TYR CG -90.00 -30.00 -59.73 -56.67 -58.47 . . 0 "[ . 1 . 2 ]"
163 . 1 21 ASN N 1 21 ASN CA 1 21 ASN CB 1 21 ASN CG -90.00 -30.00 -64.16 -60.99 -61.79 . . 0 "[ . 1 . 2 ]"
164 . 1 26 PHE N 1 26 PHE CA 1 26 PHE CB 1 26 PHE CG 150.00 -150.00 -175.22 179.59 -169.34 . . 0 "[ . 1 . 2 ]"
165 . 1 42 LEU N 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG 150.00 -150.00 -176.19 -175.29 -175.80 . . 0 "[ . 1 . 2 ]"
166 . 1 43 PHE N 1 43 PHE CA 1 43 PHE CB 1 43 PHE CG -90.00 -30.00 -60.62 -49.41 -54.12 . . 0 "[ . 1 . 2 ]"
167 . 1 47 ASN N 1 47 ASN CA 1 47 ASN CB 1 47 ASN CG 150.00 -150.00 -158.22 -160.36 -161.52 1.80 4 0 "[ . 1 . 2 ]"
168 . 1 52 GLN N 1 52 GLN CA 1 52 GLN CB 1 52 GLN CG 30.00 90.00 62.99 64.91 64.51 . . 0 "[ . 1 . 2 ]"
169 . 1 53 TRP N 1 53 TRP CA 1 53 TRP CB 1 53 TRP CG -90.00 -30.00 -71.37 -71.38 -71.70 . . 0 "[ . 1 . 2 ]"
170 . 1 55 TYR N 1 55 TYR CA 1 55 TYR CB 1 55 TYR CG -90.00 -30.00 -73.05 -80.16 -68.36 . . 0 "[ . 1 . 2 ]"
171 . 1 56 TYR N 1 56 TYR CA 1 56 TYR CB 1 56 TYR CG 150.00 -150.00 165.94 166.26 165.54 . . 0 "[ . 1 . 2 ]"
172 . 1 57 ASN N 1 57 ASN CA 1 57 ASN CB 1 57 ASN CG 150.00 -150.00 178.31 175.24 173.35 . . 0 "[ . 1 . 2 ]"
173 . 1 62 TYR N 1 62 TYR CA 1 62 TYR CB 1 62 TYR CG -90.00 -30.00 -36.23 -43.76 -55.01 1.08 10 0 "[ . 1 . 2 ]"
174 . 1 64 MET N 1 64 MET CA 1 64 MET CB 1 64 MET CG -90.00 -30.00 -83.40 -87.00 -80.42 . . 0 "[ . 1 . 2 ]"
175 . 1 65 HIS N 1 65 HIS CA 1 65 HIS CB 1 65 HIS CG -90.00 -30.00 -66.64 -62.87 -63.44 . . 0 "[ . 1 . 2 ]"
176 . 1 67 LEU N 1 67 LEU CA 1 67 LEU CB 1 67 LEU CG 150.00 -150.00 -175.61 -178.70 -167.57 . . 0 "[ . 1 . 2 ]"
177 . 1 70 PHE N 1 70 PHE CA 1 70 PHE CB 1 70 PHE CG -90.00 -30.00 -34.34 -49.43 -30.75 . . 0 "[ . 1 . 2 ]"
178 . 1 79 LEU N 1 79 LEU CA 1 79 LEU CB 1 79 LEU CG -90.00 -30.00 -54.56 -64.84 -43.22 . . 0 "[ . 1 . 2 ]"
179 . 1 84 LEU N 1 84 LEU CA 1 84 LEU CB 1 84 LEU CG 150.00 -150.00 176.25 176.33 175.80 . . 0 "[ . 1 . 2 ]"
180 . 1 86 GLN N 1 86 GLN CA 1 86 GLN CB 1 86 GLN CG 150.00 -150.00 -172.27 -174.40 -168.41 . . 0 "[ . 1 . 2 ]"
181 . 1 87 GLN N 1 87 GLN CA 1 87 GLN CB 1 87 GLN CG -90.00 -30.00 -32.68 -47.59 -29.32 0.68 19 0 "[ . 1 . 2 ]"
182 . 1 89 ASN N 1 89 ASN CA 1 89 ASN CB 1 89 ASN CG 30.00 90.00 50.15 33.28 70.87 . . 0 "[ . 1 . 2 ]"
183 . 1 92 TRP N 1 92 TRP CA 1 92 TRP CB 1 92 TRP CG -90.00 -30.00 -71.87 -75.62 -68.07 . . 0 "[ . 1 . 2 ]"
184 . 1 95 SER N 1 95 SER CA 1 95 SER CB 1 95 SER OG 30.00 90.00 72.58 67.83 83.52 . . 0 "[ . 1 . 2 ]"
185 . 1 99 TYR N 1 99 TYR CA 1 99 TYR CB 1 99 TYR CG -90.00 -30.00 -64.31 -70.49 -57.92 . . 0 "[ . 1 . 2 ]"
186 . 1 106 PHE N 1 106 PHE CA 1 106 PHE CB 1 106 PHE CG 150.00 -150.00 -176.68 -179.02 -174.21 . . 0 "[ . 1 . 2 ]"
187 . 1 114 PHE N 1 114 PHE CA 1 114 PHE CB 1 114 PHE CG 30.00 90.00 57.81 54.55 64.90 . . 0 "[ . 1 . 2 ]"
188 . 1 118 MET N 1 118 MET CA 1 118 MET CB 1 118 MET CG -90.00 -30.00 -61.53 -59.30 -64.24 . . 0 "[ . 1 . 2 ]"
189 . 1 121 LEU N 1 121 LEU CA 1 121 LEU CB 1 121 LEU CG -90.00 -30.00 -39.29 -46.73 -31.21 . . 0 "[ . 1 . 2 ]"
190 . 1 123 LEU N 1 123 LEU CA 1 123 LEU CB 1 123 LEU CG -90.00 -30.00 -57.06 -64.16 -50.17 . . 0 "[ . 1 . 2 ]"
191 . 1 127 TYR N 1 127 TYR CA 1 127 TYR CB 1 127 TYR CG 150.00 -150.00 166.26 161.24 170.75 . . 0 "[ . 1 . 2 ]"
192 . 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 150.00 -140.00 -163.21 -163.54 -163.68 . . 0 "[ . 1 . 2 ]"
193 . 1 46 VAL N 1 46 VAL CA 1 46 VAL CB 1 46 VAL CG1 150.00 -140.00 -176.45 -175.56 -175.95 . . 0 "[ . 1 . 2 ]"
194 . 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 150.00 -140.00 172.13 174.35 173.52 . . 0 "[ . 1 . 2 ]"
195 . 1 68 VAL N 1 68 VAL CA 1 68 VAL CB 1 68 VAL CG1 150.00 -140.00 -176.54 -178.50 -173.90 . . 0 "[ . 1 . 2 ]"
196 . 1 96 VAL N 1 96 VAL CA 1 96 VAL CB 1 96 VAL CG1 30.00 90.00 73.34 71.91 77.41 . . 0 "[ . 1 . 2 ]"
197 . 1 97 VAL N 1 97 VAL CA 1 97 VAL CB 1 97 VAL CG1 150.00 -140.00 -175.91 177.92 -170.76 . . 0 "[ . 1 . 2 ]"
198 . 1 98 VAL N 1 98 VAL CA 1 98 VAL CB 1 98 VAL CG1 150.00 -140.00 -174.13 -173.34 -173.35 . . 0 "[ . 1 . 2 ]"
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