NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577052 |
2mk5   |
19752 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mk5
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 168
_TA_constraint_stats_list.Viol_count 474
_TA_constraint_stats_list.Viol_total 9486.61
_TA_constraint_stats_list.Viol_max 4.19
_TA_constraint_stats_list.Viol_rms 0.48
_TA_constraint_stats_list.Viol_average_all_restraints 0.14
_TA_constraint_stats_list.Viol_average_violations_only 1.00
_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 36 SER C 1 37 TRP N 1 37 TRP CA 1 37 TRP C -91.30 -51.30 -85.17 -87.04 -89.16 1.09 3 0 "[ . 1 . 2]"
2 . 1 37 TRP N 1 37 TRP CA 1 37 TRP C 1 38 LYS N 117.10 157.10 134.77 116.42 153.22 0.68 11 0 "[ . 1 . 2]"
3 . 1 37 TRP C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -155.50 -114.30 -121.46 -114.19 -114.45 0.98 3 0 "[ . 1 . 2]"
4 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 LYS N 128.70 168.70 146.74 153.90 152.40 . . 0 "[ . 1 . 2]"
5 . 1 38 LYS C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -121.90 -69.90 -93.95 -110.15 -81.67 . . 0 "[ . 1 . 2]"
6 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 ASN N 100.00 159.00 129.04 109.25 146.16 . . 0 "[ . 1 . 2]"
7 . 1 40 ASN C 1 41 GLN N 1 41 GLN CA 1 41 GLN C -86.90 -46.90 -62.85 -81.51 -47.66 . . 0 "[ . 1 . 2]"
8 . 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 TYR N -34.00 6.00 -17.02 -23.12 -23.29 0.81 15 0 "[ . 1 . 2]"
9 . 1 41 GLN C 1 42 TYR N 1 42 TYR CA 1 42 TYR C -115.10 -75.10 -84.42 -79.13 -81.73 1.10 12 0 "[ . 1 . 2]"
10 . 1 42 TYR N 1 42 TYR CA 1 42 TYR C 1 43 GLY N -17.90 22.10 -1.30 -18.02 10.11 0.12 19 0 "[ . 1 . 2]"
11 . 1 42 TYR C 1 43 GLY N 1 43 GLY CA 1 43 GLY C 67.30 107.30 86.14 72.19 100.12 . . 0 "[ . 1 . 2]"
12 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 THR N -12.30 27.70 8.12 1.83 -2.80 1.02 17 0 "[ . 1 . 2]"
13 . 1 43 GLY C 1 44 THR N 1 44 THR CA 1 44 THR C -105.00 -65.00 -93.04 -105.88 -68.63 0.88 12 0 "[ . 1 . 2]"
14 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 TRP N 111.50 151.50 137.55 124.66 147.98 . . 0 "[ . 1 . 2]"
15 . 1 44 THR C 1 45 TRP N 1 45 TRP CA 1 45 TRP C -119.90 -74.50 -97.16 -104.64 -111.31 . . 0 "[ . 1 . 2]"
16 . 1 45 TRP N 1 45 TRP CA 1 45 TRP C 1 46 TYR N 111.10 151.10 130.12 120.56 142.28 . . 0 "[ . 1 . 2]"
17 . 1 45 TRP C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -151.30 -111.30 -132.04 -134.25 -136.88 . . 0 "[ . 1 . 2]"
18 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 LYS N 132.00 172.00 152.89 151.37 150.64 . . 0 "[ . 1 . 2]"
19 . 1 46 TYR C 1 47 LYS N 1 47 LYS CA 1 47 LYS C 176.30 -87.90 -138.37 -155.09 -124.86 . . 0 "[ . 1 . 2]"
20 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 PRO N 105.30 -179.30 141.30 145.91 142.29 . . 0 "[ . 1 . 2]"
21 . 1 47 LYS C 1 48 PRO N 1 48 PRO CA 1 48 PRO C -83.80 -43.80 -73.15 -80.21 -67.08 . . 0 "[ . 1 . 2]"
22 . 1 48 PRO N 1 48 PRO CA 1 48 PRO C 1 49 GLU N 122.30 163.50 124.67 122.05 121.99 1.70 11 0 "[ . 1 . 2]"
23 . 1 48 PRO C 1 49 GLU N 1 49 GLU CA 1 49 GLU C 174.10 -83.30 -160.35 -159.16 -162.25 . . 0 "[ . 1 . 2]"
24 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 ASN N 121.90 166.90 123.14 124.90 122.33 1.72 5 0 "[ . 1 . 2]"
25 . 1 49 GLU C 1 50 ASN N 1 50 ASN CA 1 50 ASN C -144.90 -87.50 -101.90 -117.95 -87.25 0.25 14 0 "[ . 1 . 2]"
26 . 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 ALA N 106.50 152.50 115.51 106.06 138.91 0.44 12 0 "[ . 1 . 2]"
27 . 1 50 ASN C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -175.60 -110.00 -150.77 -145.28 -148.66 . . 0 "[ . 1 . 2]"
28 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 THR N 140.20 -176.40 173.40 160.71 -177.58 . . 0 "[ . 1 . 2]"
29 . 1 51 ALA C 1 52 THR N 1 52 THR CA 1 52 THR C -149.50 -90.30 -111.64 -109.61 -111.50 . . 0 "[ . 1 . 2]"
30 . 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 PHE N 111.30 151.90 142.30 122.25 152.68 0.78 15 0 "[ . 1 . 2]"
31 . 1 52 THR C 1 53 PHE N 1 53 PHE CA 1 53 PHE C -137.30 -95.30 -120.52 -129.21 -130.19 . . 0 "[ . 1 . 2]"
32 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 VAL N 108.60 151.00 127.54 132.65 131.69 . . 0 "[ . 1 . 2]"
33 . 1 53 PHE C 1 54 VAL N 1 54 VAL CA 1 54 VAL C -123.50 -74.50 -110.83 -119.40 -103.17 . . 0 "[ . 1 . 2]"
34 . 1 54 VAL N 1 54 VAL CA 1 54 VAL C 1 55 ASN N 85.60 164.00 112.53 115.10 113.29 . . 0 "[ . 1 . 2]"
35 . 1 54 VAL C 1 55 ASN N 1 55 ASN CA 1 55 ASN C -75.90 -35.90 -70.81 -71.48 -75.12 1.54 13 0 "[ . 1 . 2]"
36 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 GLY N 112.50 152.50 137.36 145.62 140.34 0.07 7 0 "[ . 1 . 2]"
37 . 1 57 ASN C 1 58 GLN N 1 58 GLN CA 1 58 GLN C -163.10 -68.50 -139.34 -138.92 -141.14 . . 0 "[ . 1 . 2]"
38 . 1 58 GLN N 1 58 GLN CA 1 58 GLN C 1 59 PRO N 84.90 172.30 152.78 122.07 171.64 . . 0 "[ . 1 . 2]"
39 . 1 58 GLN C 1 59 PRO N 1 59 PRO CA 1 59 PRO C -91.70 -51.70 -67.36 -78.08 -56.24 . . 0 "[ . 1 . 2]"
40 . 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 60 ILE N 121.70 161.70 132.64 133.98 132.75 1.04 4 0 "[ . 1 . 2]"
41 . 1 59 PRO C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -154.30 -108.50 -110.21 -108.19 -108.47 1.69 16 0 "[ . 1 . 2]"
42 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 VAL N 112.70 152.70 127.24 130.17 127.83 . . 0 "[ . 1 . 2]"
43 . 1 60 ILE C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -98.80 -45.80 -79.29 -95.27 -69.16 . . 0 "[ . 1 . 2]"
44 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 THR N 108.60 150.40 129.08 136.20 131.68 0.75 17 0 "[ . 1 . 2]"
45 . 1 61 VAL C 1 62 THR N 1 62 THR CA 1 62 THR C -154.70 -76.90 -106.74 -127.15 -89.49 . . 0 "[ . 1 . 2]"
46 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 ARG N 107.70 178.30 168.54 178.41 173.62 0.73 2 0 "[ . 1 . 2]"
47 . 1 62 THR C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -150.00 -101.40 -112.96 -122.05 -102.44 . . 0 "[ . 1 . 2]"
48 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 ILE N 128.70 172.90 142.68 144.30 143.90 . . 0 "[ . 1 . 2]"
49 . 1 63 ARG C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -145.90 -45.90 -103.95 -106.35 -109.39 . . 0 "[ . 1 . 2]"
50 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 GLY N 100.40 156.40 126.62 112.35 135.12 . . 0 "[ . 1 . 2]"
51 . 1 64 ILE C 1 65 GLY N 1 65 GLY CA 1 65 GLY C 59.40 99.40 79.71 70.90 90.67 . . 0 "[ . 1 . 2]"
52 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 SER N -21.70 45.30 -22.58 -22.95 -23.05 2.41 4 0 "[ . 1 . 2]"
53 . 1 65 GLY C 1 66 SER N 1 66 SER CA 1 66 SER C 168.90 -57.10 -151.22 -147.22 -151.70 . . 0 "[ . 1 . 2]"
54 . 1 66 SER N 1 66 SER CA 1 66 SER C 1 67 PRO N 120.60 174.00 139.43 134.17 146.67 . . 0 "[ . 1 . 2]"
55 . 1 66 SER C 1 67 PRO N 1 67 PRO CA 1 67 PRO C -89.60 -49.60 -89.89 -90.63 -89.23 1.03 10 0 "[ . 1 . 2]"
56 . 1 67 PRO N 1 67 PRO CA 1 67 PRO C 1 68 PHE N 122.10 177.30 119.83 118.51 121.44 3.59 11 0 "[ . 1 . 2]"
57 . 1 67 PRO C 1 68 PHE N 1 68 PHE CA 1 68 PHE C -168.10 -50.90 -167.99 -170.03 -162.50 1.93 11 0 "[ . 1 . 2]"
58 . 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 LEU N 121.10 -178.70 170.00 173.90 171.45 . . 0 "[ . 1 . 2]"
59 . 1 68 PHE C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -89.40 -45.80 -83.89 -82.01 -82.41 1.13 11 0 "[ . 1 . 2]"
60 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 ASN N -47.60 5.40 -29.53 -45.30 -8.77 . . 0 "[ . 1 . 2]"
61 . 1 69 LEU C 1 70 ASN N 1 70 ASN CA 1 70 ASN C -116.80 -74.00 -99.31 -97.87 -102.97 . . 0 "[ . 1 . 2]"
62 . 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 ALA N -18.10 25.30 18.48 25.93 25.70 0.92 5 0 "[ . 1 . 2]"
63 . 1 70 ASN C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -87.30 -47.30 -71.61 -84.49 -58.25 . . 0 "[ . 1 . 2]"
64 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 PRO N 122.20 162.60 157.85 161.38 159.74 0.30 2 0 "[ . 1 . 2]"
65 . 1 71 ALA C 1 72 PRO N 1 72 PRO CA 1 72 PRO C -87.30 -47.30 -51.43 -50.70 -53.96 0.36 10 0 "[ . 1 . 2]"
66 . 1 72 PRO N 1 72 PRO CA 1 72 PRO C 1 73 VAL N 123.50 163.50 129.39 122.14 144.06 1.36 9 0 "[ . 1 . 2]"
67 . 1 75 GLY C 1 76 ASN N 1 76 ASN CA 1 76 ASN C -127.20 -71.20 -120.62 -127.39 -127.82 1.42 1 0 "[ . 1 . 2]"
68 . 1 76 ASN N 1 76 ASN CA 1 76 ASN C 1 77 LEU N 101.30 141.30 130.66 134.48 130.50 0.24 16 0 "[ . 1 . 2]"
69 . 1 76 ASN C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -134.50 -62.50 -100.50 -97.45 -97.58 . . 0 "[ . 1 . 2]"
70 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 PRO N 99.60 151.80 113.38 115.64 114.72 . . 0 "[ . 1 . 2]"
71 . 1 77 LEU C 1 78 PRO N 1 78 PRO CA 1 78 PRO C -84.50 -44.50 -67.09 -59.24 -61.87 . . 0 "[ . 1 . 2]"
72 . 1 78 PRO N 1 78 PRO CA 1 78 PRO C 1 79 ALA N 126.80 166.80 159.45 152.10 166.91 0.11 20 0 "[ . 1 . 2]"
73 . 1 78 PRO C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -75.40 -35.40 -73.60 -73.86 -75.41 0.91 1 0 "[ . 1 . 2]"
74 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 GLY N 113.60 153.60 138.68 124.86 153.86 0.26 1 0 "[ . 1 . 2]"
75 . 1 79 ALA C 1 80 GLY N 1 80 GLY CA 1 80 GLY C 67.00 108.00 91.21 69.52 108.35 0.35 6 0 "[ . 1 . 2]"
76 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 ALA N -23.40 19.60 -1.10 -23.78 19.60 0.38 20 0 "[ . 1 . 2]"
77 . 1 80 GLY C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -93.00 -53.00 -77.05 -85.86 -93.16 0.49 8 0 "[ . 1 . 2]"
78 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 THR N 126.70 170.30 131.06 132.75 130.48 0.44 18 0 "[ . 1 . 2]"
79 . 1 81 ALA C 1 82 THR N 1 82 THR CA 1 82 THR C -130.80 -90.80 -102.88 -117.89 -92.59 . . 0 "[ . 1 . 2]"
80 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 ILE N 109.10 149.10 113.56 134.66 121.58 0.37 15 0 "[ . 1 . 2]"
81 . 1 82 THR C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -146.50 -101.50 -119.91 -132.05 -108.69 . . 0 "[ . 1 . 2]"
82 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 VAL N 115.20 155.20 130.23 126.59 121.80 . . 0 "[ . 1 . 2]"
83 . 1 83 ILE C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -126.60 -67.60 -96.43 -108.67 -83.92 . . 0 "[ . 1 . 2]"
84 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 TYR N 108.10 148.10 124.77 111.37 107.77 0.33 1 0 "[ . 1 . 2]"
85 . 1 84 VAL C 1 85 TYR N 1 85 TYR CA 1 85 TYR C -157.70 -97.50 -109.08 -97.45 -98.32 0.38 17 0 "[ . 1 . 2]"
86 . 1 85 TYR N 1 85 TYR CA 1 85 TYR C 1 86 ASP N 128.30 174.30 154.01 137.66 168.60 . . 0 "[ . 1 . 2]"
87 . 1 86 ASP C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -154.60 -112.00 -137.28 -152.70 -118.26 . . 0 "[ . 1 . 2]"
88 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 VAL N 121.00 166.00 131.93 126.88 124.17 0.95 20 0 "[ . 1 . 2]"
89 . 1 87 GLU C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -147.40 -98.20 -114.69 -124.68 -102.02 . . 0 "[ . 1 . 2]"
90 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 CYS N 117.50 157.50 127.69 124.56 120.80 . . 0 "[ . 1 . 2]"
91 . 1 88 VAL C 1 89 CYS N 1 89 CYS CA 1 89 CYS C -149.70 -109.70 -132.63 -141.51 -123.23 . . 0 "[ . 1 . 2]"
92 . 1 89 CYS N 1 89 CYS CA 1 89 CYS C 1 90 ILE N 127.30 167.30 144.41 133.20 153.75 . . 0 "[ . 1 . 2]"
93 . 1 89 CYS C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -139.70 -92.90 -109.88 -107.69 -108.46 . . 0 "[ . 1 . 2]"
94 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 GLN N 110.00 150.00 116.88 114.87 113.86 . . 0 "[ . 1 . 2]"
95 . 1 90 ILE C 1 91 GLN N 1 91 GLN CA 1 91 GLN C -125.40 -71.80 -119.61 -125.89 -110.42 0.49 14 0 "[ . 1 . 2]"
96 . 1 91 GLN N 1 91 GLN CA 1 91 GLN C 1 92 ALA N 104.20 144.20 128.76 120.37 118.96 2.11 13 0 "[ . 1 . 2]"
97 . 1 91 GLN C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -91.10 -51.10 -49.63 -48.04 -48.45 3.25 7 0 "[ . 1 . 2]"
98 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 GLY N 105.20 146.20 108.73 110.44 109.76 1.13 15 0 "[ . 1 . 2]"
99 . 1 93 GLY C 1 94 HIS N 1 94 HIS CA 1 94 HIS C -158.40 -48.60 -149.79 -154.19 -144.45 . . 0 "[ . 1 . 2]"
100 . 1 94 HIS N 1 94 HIS CA 1 94 HIS C 1 95 ILE N 131.50 171.50 160.82 168.41 166.15 . . 0 "[ . 1 . 2]"
101 . 1 94 HIS C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -131.50 -91.50 -103.22 -126.09 -92.64 . . 0 "[ . 1 . 2]"
102 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 TRP N 109.00 149.00 128.07 109.58 143.85 . . 0 "[ . 1 . 2]"
103 . 1 95 ILE C 1 96 TRP N 1 96 TRP CA 1 96 TRP C -136.90 -96.90 -110.91 -112.50 -115.59 1.63 4 0 "[ . 1 . 2]"
104 . 1 96 TRP N 1 96 TRP CA 1 96 TRP C 1 97 ILE N 120.30 165.50 138.56 131.14 148.61 . . 0 "[ . 1 . 2]"
105 . 1 96 TRP C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -144.90 -100.90 -102.26 -100.44 -100.50 0.78 11 0 "[ . 1 . 2]"
106 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 GLY N 120.50 160.50 131.20 133.70 132.51 . . 0 "[ . 1 . 2]"
107 . 1 97 ILE C 1 98 GLY N 1 98 GLY CA 1 98 GLY C 166.80 -71.60 -101.85 -110.83 -94.22 . . 0 "[ . 1 . 2]"
108 . 1 98 GLY N 1 98 GLY CA 1 98 GLY C 1 99 TYR N 115.10 -151.90 122.41 127.04 125.72 0.95 18 0 "[ . 1 . 2]"
109 . 1 98 GLY C 1 99 TYR N 1 99 TYR CA 1 99 TYR C -174.10 -111.90 -139.37 -151.38 -126.13 . . 0 "[ . 1 . 2]"
110 . 1 99 TYR N 1 99 TYR CA 1 99 TYR C 1 100 ASN N 136.30 178.70 162.41 144.47 175.25 . . 0 "[ . 1 . 2]"
111 . 1 99 TYR C 1 100 ASN N 1 100 ASN CA 1 100 ASN C -120.50 -80.50 -106.09 -109.21 -114.72 0.24 20 0 "[ . 1 . 2]"
112 . 1 100 ASN N 1 100 ASN CA 1 100 ASN C 1 101 ALA N 107.20 147.20 126.68 112.85 145.51 . . 0 "[ . 1 . 2]"
113 . 1 100 ASN C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -97.80 -57.80 -86.21 -78.23 -80.54 0.32 12 0 "[ . 1 . 2]"
114 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 TYR N 145.00 -175.00 169.61 178.25 176.46 0.30 10 0 "[ . 1 . 2]"
115 . 1 101 ALA C 1 102 TYR N 1 102 TYR CA 1 102 TYR C -80.80 -40.80 -58.03 -60.47 -63.19 . . 0 "[ . 1 . 2]"
116 . 1 102 TYR N 1 102 TYR CA 1 102 TYR C 1 103 ASN N -43.00 -3.00 -21.33 -36.24 -2.21 0.79 17 0 "[ . 1 . 2]"
117 . 1 102 TYR C 1 103 ASN N 1 103 ASN CA 1 103 ASN C -108.90 -68.90 -86.34 -108.37 -72.63 . . 0 "[ . 1 . 2]"
118 . 1 103 ASN N 1 103 ASN CA 1 103 ASN C 1 104 GLY N -14.20 25.80 -4.82 -7.00 -8.31 2.21 6 0 "[ . 1 . 2]"
119 . 1 103 ASN C 1 104 GLY N 1 104 GLY CA 1 104 GLY C 68.60 108.60 89.90 88.85 88.19 0.32 7 0 "[ . 1 . 2]"
120 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 ASN N -18.40 21.60 7.73 -12.43 22.28 0.68 10 0 "[ . 1 . 2]"
121 . 1 104 GLY C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -95.90 -55.90 -86.62 -85.84 -91.86 1.59 13 0 "[ . 1 . 2]"
122 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 ARG N 116.80 156.80 137.40 121.10 151.12 . . 0 "[ . 1 . 2]"
123 . 1 105 ASN C 1 106 ARG N 1 106 ARG CA 1 106 ARG C -106.00 -66.00 -85.86 -90.17 -92.13 . . 0 "[ . 1 . 2]"
124 . 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 VAL N 96.50 141.30 107.26 95.75 122.36 0.75 10 0 "[ . 1 . 2]"
125 . 1 106 ARG C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -139.90 -92.90 -110.04 -108.95 -110.94 . . 0 "[ . 1 . 2]"
126 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 TYR N 107.50 162.50 142.05 142.23 140.19 . . 0 "[ . 1 . 2]"
127 . 1 107 VAL C 1 108 TYR N 1 108 TYR CA 1 108 TYR C -149.70 -91.70 -119.10 -117.74 -118.34 . . 0 "[ . 1 . 2]"
128 . 1 108 TYR N 1 108 TYR CA 1 108 TYR C 1 109 CYS N 105.80 169.20 126.48 116.19 132.32 . . 0 "[ . 1 . 2]"
129 . 1 108 TYR C 1 109 CYS N 1 109 CYS CA 1 109 CYS C -159.90 -90.50 -107.25 -105.44 -107.51 . . 0 "[ . 1 . 2]"
130 . 1 109 CYS N 1 109 CYS CA 1 109 CYS C 1 110 PRO N 36.00 153.60 132.67 133.29 132.76 . . 0 "[ . 1 . 2]"
131 . 1 109 CYS C 1 110 PRO N 1 110 PRO CA 1 110 PRO C -83.00 -43.00 -70.06 -69.26 -69.70 . . 0 "[ . 1 . 2]"
132 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 VAL N -44.30 -0.30 -16.63 -27.41 -2.83 . . 0 "[ . 1 . 2]"
133 . 1 111 VAL C 1 112 ARG N 1 112 ARG CA 1 112 ARG C 168.50 -51.50 -155.82 -162.59 -147.44 . . 0 "[ . 1 . 2]"
134 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 THR N 124.40 -179.20 152.63 156.77 156.71 . . 0 "[ . 1 . 2]"
135 . 1 114 CYS C 1 115 GLN N 1 115 GLN CA 1 115 GLN C -152.60 -82.00 -114.75 -98.71 -102.93 . . 0 "[ . 1 . 2]"
136 . 1 115 GLN N 1 115 GLN CA 1 115 GLN C 1 116 GLY N 104.80 160.60 148.11 113.38 162.45 1.85 4 0 "[ . 1 . 2]"
137 . 1 116 GLY C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -153.20 -79.40 -133.87 -134.67 -136.68 . . 0 "[ . 1 . 2]"
138 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 PRO N 92.10 -169.30 130.11 97.14 151.13 . . 0 "[ . 1 . 2]"
139 . 1 117 VAL C 1 118 PRO N 1 118 PRO CA 1 118 PRO C -83.80 -43.80 -47.62 -43.92 -45.86 0.96 2 0 "[ . 1 . 2]"
140 . 1 118 PRO N 1 118 PRO CA 1 118 PRO C 1 119 PRO N 121.10 172.30 134.16 127.46 139.68 . . 0 "[ . 1 . 2]"
141 . 1 119 PRO C 1 120 ASN N 1 120 ASN CA 1 120 ASN C -128.30 -42.10 -79.34 -76.51 -76.99 . . 0 "[ . 1 . 2]"
142 . 1 120 ASN N 1 120 ASN CA 1 120 ASN C 1 121 HIS N 103.20 165.20 101.54 99.81 106.02 3.39 11 0 "[ . 1 . 2]"
143 . 1 120 ASN C 1 121 HIS N 1 121 HIS CA 1 121 HIS C -102.80 -56.40 -105.53 -106.99 -104.17 4.19 18 0 "[ . 1 . 2]"
144 . 1 121 HIS N 1 121 HIS CA 1 121 HIS C 1 122 ILE N 91.60 163.80 125.80 107.03 139.85 . . 0 "[ . 1 . 2]"
145 . 1 121 HIS C 1 122 ILE N 1 122 ILE CA 1 122 ILE C -139.60 -74.00 -96.84 -110.18 -77.40 . . 0 "[ . 1 . 2]"
146 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C 1 123 PRO N 100.10 174.90 105.96 99.34 114.32 0.76 10 0 "[ . 1 . 2]"
147 . 1 122 ILE C 1 123 PRO N 1 123 PRO CA 1 123 PRO C -84.30 -44.30 -83.04 -85.70 -75.88 1.40 14 0 "[ . 1 . 2]"
148 . 1 123 PRO N 1 123 PRO CA 1 123 PRO C 1 124 GLY N 124.00 164.00 141.05 123.65 164.75 0.75 18 0 "[ . 1 . 2]"
149 . 1 124 GLY C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -96.90 -44.90 -77.67 -97.39 -52.63 0.49 2 0 "[ . 1 . 2]"
150 . 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 ALA N 109.80 154.40 123.26 124.45 124.01 . . 0 "[ . 1 . 2]"
151 . 1 125 VAL C 1 126 ALA N 1 126 ALA CA 1 126 ALA C -93.00 -53.00 -94.09 -95.02 -93.22 2.02 2 0 "[ . 1 . 2]"
152 . 1 126 ALA N 1 126 ALA CA 1 126 ALA C 1 127 TRP N 109.30 150.90 141.78 120.34 151.32 0.42 1 0 "[ . 1 . 2]"
153 . 1 126 ALA C 1 127 TRP N 1 127 TRP CA 1 127 TRP C -138.80 -63.40 -106.46 -116.20 -124.98 . . 0 "[ . 1 . 2]"
154 . 1 127 TRP N 1 127 TRP CA 1 127 TRP C 1 128 GLY N -69.30 57.50 16.43 -4.89 58.02 0.52 6 0 "[ . 1 . 2]"
155 . 1 127 TRP C 1 128 GLY N 1 128 GLY CA 1 128 GLY C 148.50 -161.90 -167.13 -162.13 -165.57 1.29 20 0 "[ . 1 . 2]"
156 . 1 128 GLY N 1 128 GLY CA 1 128 GLY C 1 129 VAL N 159.50 -152.70 -176.97 169.51 -165.89 . . 0 "[ . 1 . 2]"
157 . 1 128 GLY C 1 129 VAL N 1 129 VAL CA 1 129 VAL C -157.50 -112.10 -112.63 -112.08 -112.51 1.15 20 0 "[ . 1 . 2]"
158 . 1 129 VAL N 1 129 VAL CA 1 129 VAL C 1 130 PHE N 115.10 162.70 133.01 125.41 118.82 . . 0 "[ . 1 . 2]"
159 . 1 129 VAL C 1 130 PHE N 1 130 PHE CA 1 130 PHE C -122.40 -79.20 -98.78 -118.32 -78.74 0.46 15 0 "[ . 1 . 2]"
160 . 1 130 PHE N 1 130 PHE CA 1 130 PHE C 1 131 LYS N 107.50 147.50 130.77 134.41 132.77 . . 0 "[ . 1 . 2]"
161 . 1 39 LYS C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -114.60 -53.20 -92.19 -99.83 -107.91 0.13 4 0 "[ . 1 . 2]"
162 . 1 40 ASN N 1 40 ASN CA 1 40 ASN C 1 41 GLN N 146.10 -153.90 165.10 174.69 169.36 . . 0 "[ . 1 . 2]"
163 . 1 72 PRO C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -102.70 -33.70 -98.19 -97.83 -98.52 1.40 9 0 "[ . 1 . 2]"
164 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 GLY N 93.90 172.10 174.05 172.27 176.23 4.13 1 0 "[ . 1 . 2]"
165 . 1 73 VAL C 1 74 GLY N 1 74 GLY CA 1 74 GLY C 57.80 117.80 119.48 118.44 121.00 3.20 3 0 "[ . 1 . 2]"
166 . 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1 75 GLY N -31.90 28.10 7.10 26.91 11.55 0.70 2 0 "[ . 1 . 2]"
167 . 1 113 THR C 1 114 CYS N 1 114 CYS CA 1 114 CYS C -175.10 0.10 -153.08 -161.16 -149.49 . . 0 "[ . 1 . 2]"
168 . 1 114 CYS N 1 114 CYS CA 1 114 CYS C 1 115 GLN N 95.90 173.70 127.18 133.04 129.16 . . 0 "[ . 1 . 2]"
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