NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524688 |
2lll   |
18053 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lll
save_dihedral_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 303
_TA_constraint_stats_list.Viol_total 8038.60
_TA_constraint_stats_list.Viol_max 4.83
_TA_constraint_stats_list.Viol_rms 0.45
_TA_constraint_stats_list.Viol_average_all_restraints 0.10
_TA_constraint_stats_list.Viol_average_violations_only 1.33
_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 19 SER C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -166.30 -46.30 -90.30 -70.64 -73.82 . . 0 "[ . 1 . 2]"
2 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 SER N 69.40 -170.60 90.96 83.66 81.51 1.49 9 0 "[ . 1 . 2]"
3 . 1 20 ALA C 1 21 SER N 1 21 SER CA 1 21 SER C -134.10 -14.10 -88.37 -127.91 -73.84 . . 0 "[ . 1 . 2]"
4 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 GLY N 80.80 -159.20 94.99 94.87 88.54 1.03 6 0 "[ . 1 . 2]"
5 . 1 21 SER C 1 22 GLY N 1 22 GLY CA 1 22 GLY C 65.90 125.50 84.06 91.36 89.02 1.10 20 0 "[ . 1 . 2]"
6 . 1 22 GLY N 1 22 GLY CA 1 22 GLY C 1 23 SER N -51.50 43.30 -3.37 -49.31 34.27 . . 0 "[ . 1 . 2]"
7 . 1 23 SER C 1 24 VAL N 1 24 VAL CA 1 24 VAL C 179.80 -60.20 -107.09 -131.77 -85.61 . . 0 "[ . 1 . 2]"
8 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 SER N 91.40 169.00 138.23 103.19 163.74 . . 0 "[ . 1 . 2]"
9 . 1 24 VAL C 1 25 SER N 1 25 SER CA 1 25 SER C -168.60 -67.80 -124.75 -130.55 -134.27 . . 0 "[ . 1 . 2]"
10 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 ILE N 107.50 -146.70 158.87 143.66 177.85 . . 0 "[ . 1 . 2]"
11 . 1 25 SER C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -147.80 -46.60 -82.97 -98.40 -69.59 . . 0 "[ . 1 . 2]"
12 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 GLU N 80.70 171.90 109.92 94.60 132.53 . . 0 "[ . 1 . 2]"
13 . 1 27 GLU C 1 28 GLU N 1 28 GLU CA 1 28 GLU C 153.10 -92.70 -130.80 -142.00 -116.49 . . 0 "[ . 1 . 2]"
14 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 ILE N 118.10 176.10 157.84 149.86 167.45 . . 0 "[ . 1 . 2]"
15 . 1 28 GLU C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -171.40 -63.20 -141.56 -144.56 -146.57 . . 0 "[ . 1 . 2]"
16 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 ASP N 107.90 -179.30 141.22 130.51 151.39 . . 0 "[ . 1 . 2]"
17 . 1 29 ILE C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -135.10 -20.50 -68.90 -78.62 -59.91 . . 0 "[ . 1 . 2]"
18 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 LEU N 90.80 156.40 145.66 148.33 147.99 . . 0 "[ . 1 . 2]"
19 . 1 30 ASP C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -109.90 -30.90 -68.24 -109.31 -55.54 . . 0 "[ . 1 . 2]"
20 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 GLU N -64.50 19.30 -30.25 -29.91 -33.60 . . 0 "[ . 1 . 2]"
21 . 1 31 LEU C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -125.50 -51.70 -88.58 -89.18 -91.45 . . 0 "[ . 1 . 2]"
22 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 GLY N -29.90 39.70 -23.04 -33.47 10.37 3.57 14 0 "[ . 1 . 2]"
23 . 1 32 GLU C 1 33 GLY N 1 33 GLY CA 1 33 GLY C 41.90 112.70 88.79 78.12 75.49 . . 0 "[ . 1 . 2]"
24 . 1 33 GLY N 1 33 GLY CA 1 33 GLY C 1 34 LYS N -15.50 51.50 38.08 21.01 52.00 0.50 15 0 "[ . 1 . 2]"
25 . 1 33 GLY C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -106.70 -40.70 -82.72 -73.71 -76.21 1.61 16 0 "[ . 1 . 2]"
26 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 PHE N -73.00 26.60 -18.03 -18.43 -18.81 . . 0 "[ . 1 . 2]"
27 . 1 35 PHE C 1 36 VAL N 1 36 VAL CA 1 36 VAL C 178.10 -104.30 -126.34 -134.90 -111.77 . . 0 "[ . 1 . 2]"
28 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 GLN N 100.80 167.80 119.87 107.12 148.29 . . 0 "[ . 1 . 2]"
29 . 1 36 VAL C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -162.50 -88.50 -93.04 -103.92 -121.72 2.99 5 0 "[ . 1 . 2]"
30 . 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 LEU N 103.00 175.20 115.52 128.33 123.06 0.81 16 0 "[ . 1 . 2]"
31 . 1 37 GLN C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -168.90 -85.70 -105.33 -120.21 -87.85 . . 0 "[ . 1 . 2]"
32 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 LYS N 114.60 160.80 150.15 161.71 160.62 4.31 16 0 "[ . 1 . 2]"
33 . 1 38 LEU C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -161.90 -115.70 -136.90 -152.58 -113.41 2.29 7 0 "[ . 1 . 2]"
34 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 ASN N 122.90 174.90 132.66 131.05 130.52 . . 0 "[ . 1 . 2]"
35 . 1 39 LYS C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -128.40 -68.60 -86.69 -82.62 -85.35 . . 0 "[ . 1 . 2]"
36 . 1 40 ASN N 1 40 ASN CA 1 40 ASN C 1 41 ASN N 95.40 150.00 118.26 124.56 117.40 . . 0 "[ . 1 . 2]"
37 . 1 41 ASN C 1 42 SER N 1 42 SER CA 1 42 SER C -177.00 -57.00 -75.59 -146.43 -59.90 . . 0 "[ . 1 . 2]"
38 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 ASP N 128.70 -154.10 154.00 137.43 -163.32 . . 0 "[ . 1 . 2]"
39 . 1 43 ASP C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -169.30 -49.30 -126.75 -158.50 -78.70 . . 0 "[ . 1 . 2]"
40 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 ASP N 115.80 174.40 168.19 170.57 168.49 4.83 5 0 "[ . 1 . 2]"
41 . 1 44 LYS C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -114.40 -44.20 -66.62 -65.87 -66.18 . . 0 "[ . 1 . 2]"
42 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 GLN N 106.50 170.10 121.82 135.76 125.98 4.00 18 0 "[ . 1 . 2]"
43 . 1 45 ASP C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -162.70 -62.30 -90.14 -136.51 -70.29 . . 0 "[ . 1 . 2]"
44 . 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 SER N 90.90 -173.90 115.83 113.66 112.43 . . 0 "[ . 1 . 2]"
45 . 1 46 GLN C 1 47 SER N 1 47 SER CA 1 47 SER C -113.00 -64.40 -68.18 -75.98 -63.53 0.87 20 0 "[ . 1 . 2]"
46 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 LEU N 99.40 145.00 109.11 116.97 114.34 1.39 7 0 "[ . 1 . 2]"
47 . 1 47 SER C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -142.60 -54.80 -96.37 -104.27 -107.99 . . 0 "[ . 1 . 2]"
48 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLY N 127.50 -147.70 166.66 159.53 155.97 . . 0 "[ . 1 . 2]"
49 . 1 49 GLY C 1 50 ASN N 1 50 ASN CA 1 50 ASN C -83.20 -45.20 -71.09 -81.32 -65.46 . . 0 "[ . 1 . 2]"
50 . 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 TRP N -70.60 -5.00 -12.99 -24.28 -9.79 . . 0 "[ . 1 . 2]"
51 . 1 51 TRP C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -170.60 -86.80 -148.00 -149.56 -153.09 . . 0 "[ . 1 . 2]"
52 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 ILE N 125.80 -172.20 136.21 123.86 145.81 1.94 6 0 "[ . 1 . 2]"
53 . 1 52 ARG C 1 53 ILE N 1 53 ILE CA 1 53 ILE C -144.00 -82.40 -96.57 -99.99 -101.41 . . 0 "[ . 1 . 2]"
54 . 1 53 ILE N 1 53 ILE CA 1 53 ILE C 1 54 LYS N 85.90 171.90 110.07 105.86 104.60 . . 0 "[ . 1 . 2]"
55 . 1 53 ILE C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -164.40 -70.60 -82.04 -115.67 -75.30 . . 0 "[ . 1 . 2]"
56 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 ARG N 92.50 -179.90 137.02 100.44 96.91 . . 0 "[ . 1 . 2]"
57 . 1 54 LYS C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -161.00 -73.00 -129.83 -87.22 -92.78 . . 0 "[ . 1 . 2]"
58 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 GLN N 94.30 165.10 99.41 90.30 123.30 4.00 20 0 "[ . 1 . 2]"
59 . 1 55 ARG C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -143.20 -70.80 -98.98 -94.09 -96.15 . . 0 "[ . 1 . 2]"
60 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 VAL N 104.30 156.50 105.67 100.88 116.73 3.42 2 0 "[ . 1 . 2]"
61 . 1 56 GLN C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -123.00 -63.00 -84.83 -94.06 -95.15 . . 0 "[ . 1 . 2]"
62 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 LEU N 65.50 -178.50 147.58 121.59 168.95 . . 0 "[ . 1 . 2]"
63 . 1 57 VAL C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -121.00 -31.00 -60.12 -60.78 -63.11 . . 0 "[ . 1 . 2]"
64 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 GLU N -66.30 6.90 -23.68 -43.15 -12.18 . . 0 "[ . 1 . 2]"
65 . 1 58 LEU C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -118.30 -62.50 -70.71 -64.53 -67.52 1.57 4 0 "[ . 1 . 2]"
66 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 GLY N -35.50 39.50 -15.09 -34.08 4.73 . . 0 "[ . 1 . 2]"
67 . 1 59 GLU C 1 60 GLY N 1 60 GLY CA 1 60 GLY C 57.30 138.90 114.63 86.21 133.97 . . 0 "[ . 1 . 2]"
68 . 1 60 GLY N 1 60 GLY CA 1 60 GLY C 1 61 GLU N -25.40 27.00 -2.08 11.96 1.96 2.91 1 0 "[ . 1 . 2]"
69 . 1 60 GLY C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -137.50 -17.50 -87.39 -138.67 -59.96 1.17 4 0 "[ . 1 . 2]"
70 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 GLU N 101.40 -174.60 112.91 99.17 165.54 2.23 2 0 "[ . 1 . 2]"
71 . 1 61 GLU C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -157.70 -70.10 -116.51 -116.98 -126.71 . . 0 "[ . 1 . 2]"
72 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 ILE N 82.50 -157.50 113.13 79.84 157.01 2.66 7 0 "[ . 1 . 2]"
73 . 1 62 GLU C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -178.30 -79.90 -115.64 -113.20 -124.89 . . 0 "[ . 1 . 2]"
74 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 ALA N 119.00 -169.40 157.07 163.82 156.22 . . 0 "[ . 1 . 2]"
75 . 1 63 ILE C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -171.30 -93.90 -136.48 -161.32 -108.21 . . 0 "[ . 1 . 2]"
76 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 TYR N 109.10 152.70 114.68 127.32 118.45 3.43 13 0 "[ . 1 . 2]"
77 . 1 64 ALA C 1 65 TYR N 1 65 TYR CA 1 65 TYR C -156.90 -80.30 -87.94 -125.53 -78.96 1.34 18 0 "[ . 1 . 2]"
78 . 1 65 TYR N 1 65 TYR CA 1 65 TYR C 1 66 LYS N 98.30 151.90 109.50 112.87 108.98 . . 0 "[ . 1 . 2]"
79 . 1 65 TYR C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -140.90 -76.70 -86.67 -79.25 -80.74 0.35 7 0 "[ . 1 . 2]"
80 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 PHE N 70.40 157.60 143.06 141.71 134.81 0.21 2 0 "[ . 1 . 2]"
81 . 1 66 LYS C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -158.30 -18.30 -83.06 -95.72 -69.50 . . 0 "[ . 1 . 2]"
82 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 THR N 123.60 169.60 168.93 171.44 170.79 3.75 11 0 "[ . 1 . 2]"
83 . 1 67 PHE C 1 68 THR N 1 68 THR CA 1 68 THR C -140.50 -26.70 -87.35 -84.79 -87.36 . . 0 "[ . 1 . 2]"
84 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 PRO N 108.00 -171.60 130.91 128.83 126.04 . . 0 "[ . 1 . 2]"
85 . 1 69 PRO C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -113.80 -68.20 -78.33 -68.73 -72.31 . . 0 "[ . 1 . 2]"
86 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 TYR N -23.20 28.60 -20.52 -21.49 -22.35 2.74 1 0 "[ . 1 . 2]"
87 . 1 70 LYS C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -135.10 -15.10 -80.46 -84.96 -87.92 . . 0 "[ . 1 . 2]"
88 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 ILE N 99.70 154.90 131.88 119.11 142.79 . . 0 "[ . 1 . 2]"
89 . 1 71 TYR C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -161.60 -88.00 -125.25 -126.46 -126.96 . . 0 "[ . 1 . 2]"
90 . 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 LEU N 88.40 180.00 129.47 113.90 150.81 . . 0 "[ . 1 . 2]"
91 . 1 72 ILE C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -132.00 -75.00 -96.34 -84.87 -87.71 . . 0 "[ . 1 . 2]"
92 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 ARG N 89.30 142.10 127.31 112.10 141.50 . . 0 "[ . 1 . 2]"
93 . 1 73 LEU C 1 74 ARG N 1 74 ARG CA 1 74 ARG C -148.70 -28.70 -77.34 -90.63 -67.54 . . 0 "[ . 1 . 2]"
94 . 1 74 ARG N 1 74 ARG CA 1 74 ARG C 1 75 ALA N 77.90 -162.10 159.76 148.79 169.32 . . 0 "[ . 1 . 2]"
95 . 1 74 ARG C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -99.30 -24.30 -64.33 -73.95 -55.59 . . 0 "[ . 1 . 2]"
96 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 GLY N 105.70 164.90 123.80 126.93 124.76 . . 0 "[ . 1 . 2]"
97 . 1 75 ALA C 1 76 GLY N 1 76 GLY CA 1 76 GLY C 58.30 123.90 78.25 74.08 72.73 . . 0 "[ . 1 . 2]"
98 . 1 76 GLY N 1 76 GLY CA 1 76 GLY C 1 77 GLN N -52.50 26.30 -2.28 20.13 15.83 . . 0 "[ . 1 . 2]"
99 . 1 76 GLY C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -175.50 -55.50 -91.85 -115.19 -66.25 . . 0 "[ . 1 . 2]"
100 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 MET N 92.70 -147.30 179.32 -166.53 -172.94 . . 0 "[ . 1 . 2]"
101 . 1 77 GLN C 1 78 MET N 1 78 MET CA 1 78 MET C -167.20 -90.00 -141.57 -157.57 -108.57 . . 0 "[ . 1 . 2]"
102 . 1 78 MET N 1 78 MET CA 1 78 MET C 1 79 VAL N 108.00 -155.80 153.49 160.96 150.24 . . 0 "[ . 1 . 2]"
103 . 1 78 MET C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -165.00 -93.40 -126.29 -149.18 -95.25 . . 0 "[ . 1 . 2]"
104 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 THR N 101.40 166.20 122.97 104.40 148.89 . . 0 "[ . 1 . 2]"
105 . 1 79 VAL C 1 80 THR N 1 80 THR CA 1 80 THR C -142.90 -70.50 -103.92 -131.09 -87.43 . . 0 "[ . 1 . 2]"
106 . 1 80 THR N 1 80 THR CA 1 80 THR C 1 81 VAL N 95.20 144.40 104.66 94.24 115.55 0.96 4 0 "[ . 1 . 2]"
107 . 1 80 THR C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -129.00 -76.00 -89.76 -96.71 -99.38 . . 0 "[ . 1 . 2]"
108 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 TRP N 99.80 140.60 102.70 137.31 112.26 2.38 17 0 "[ . 1 . 2]"
109 . 1 81 VAL C 1 82 TRP N 1 82 TRP CA 1 82 TRP C -157.60 -71.40 -89.27 -122.01 -79.71 . . 0 "[ . 1 . 2]"
110 . 1 82 TRP N 1 82 TRP CA 1 82 TRP C 1 83 ALA N 92.80 179.60 174.79 174.19 173.46 . . 0 "[ . 1 . 2]"
111 . 1 82 TRP C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -145.40 -33.80 -95.88 -90.53 -91.14 . . 0 "[ . 1 . 2]"
112 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 ALA N 89.40 -157.00 153.34 142.07 165.00 . . 0 "[ . 1 . 2]"
113 . 1 83 ALA C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -73.30 -43.30 -64.33 -59.90 -62.26 . . 0 "[ . 1 . 2]"
114 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 GLY N -59.00 0.40 -33.99 -45.48 -20.06 . . 0 "[ . 1 . 2]"
115 . 1 84 ALA C 1 85 GLY N 1 85 GLY CA 1 85 GLY C -110.20 -37.80 -83.96 -111.45 -67.57 1.25 15 0 "[ . 1 . 2]"
116 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 ALA N -66.80 22.80 3.27 20.65 16.63 1.36 2 0 "[ . 1 . 2]"
117 . 1 85 GLY C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -125.40 -65.20 -78.57 -90.76 -66.31 . . 0 "[ . 1 . 2]"
118 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 GLY N -61.80 31.40 -12.57 -29.30 11.27 . . 0 "[ . 1 . 2]"
119 . 1 86 ALA C 1 87 GLY N 1 87 GLY CA 1 87 GLY C 66.10 103.70 72.65 69.66 69.07 . . 0 "[ . 1 . 2]"
120 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 VAL N -4.30 36.10 28.70 18.87 16.46 2.46 10 0 "[ . 1 . 2]"
121 . 1 87 GLY C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -150.40 -38.40 -105.90 -146.50 -77.70 . . 0 "[ . 1 . 2]"
122 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 ALA N 99.20 177.40 146.17 135.86 159.03 . . 0 "[ . 1 . 2]"
123 . 1 88 VAL C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -151.40 -31.40 -79.42 -80.34 -80.53 . . 0 "[ . 1 . 2]"
124 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 HIS N 81.00 160.60 128.65 122.21 119.55 . . 0 "[ . 1 . 2]"
125 . 1 89 ALA C 1 90 HIS N 1 90 HIS CA 1 90 HIS C -102.30 -40.90 -67.26 -79.99 -61.78 . . 0 "[ . 1 . 2]"
126 . 1 90 HIS N 1 90 HIS CA 1 90 HIS C 1 91 SER N 111.10 163.90 113.28 117.03 113.08 1.77 16 0 "[ . 1 . 2]"
127 . 1 90 HIS C 1 91 SER N 1 91 SER CA 1 91 SER C -154.00 -49.80 -132.06 -152.41 -124.17 . . 0 "[ . 1 . 2]"
128 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 PRO N 59.10 -160.90 76.95 69.35 84.50 . . 0 "[ . 1 . 2]"
129 . 1 94 SER C 1 95 THR N 1 95 THR CA 1 95 THR C -148.10 -78.50 -119.66 -143.58 -85.65 . . 0 "[ . 1 . 2]"
130 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 LEU N 86.60 152.60 94.83 96.94 96.38 3.07 4 0 "[ . 1 . 2]"
131 . 1 95 THR C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -130.10 -74.90 -90.11 -105.30 -81.71 . . 0 "[ . 1 . 2]"
132 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 VAL N 108.30 148.30 137.21 149.73 148.37 4.53 10 0 "[ . 1 . 2]"
133 . 1 96 LEU C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -147.70 -89.90 -120.62 -137.29 -89.29 0.61 10 0 "[ . 1 . 2]"
134 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 TRP N 96.90 136.10 122.92 116.74 131.16 . . 0 "[ . 1 . 2]"
135 . 1 97 VAL C 1 98 TRP N 1 98 TRP CA 1 98 TRP C -166.50 -47.70 -71.67 -75.76 -67.53 . . 0 "[ . 1 . 2]"
136 . 1 98 TRP N 1 98 TRP CA 1 98 TRP C 1 99 LYS N 64.10 166.90 93.94 109.32 100.95 . . 0 "[ . 1 . 2]"
137 . 1 98 TRP C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -130.30 -10.30 -69.46 -72.58 -72.64 . . 0 "[ . 1 . 2]"
138 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 GLY N 74.90 -166.50 128.21 126.86 124.48 . . 0 "[ . 1 . 2]"
139 . 1 99 LYS C 1 100 GLY N 1 100 GLY CA 1 100 GLY C 50.80 121.20 103.91 88.67 123.28 2.08 6 0 "[ . 1 . 2]"
140 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C 1 101 GLN N -44.90 41.30 -26.13 -45.86 -1.86 0.96 5 0 "[ . 1 . 2]"
141 . 1 100 GLY C 1 101 GLN N 1 101 GLN CA 1 101 GLN C -120.50 -53.50 -99.79 -108.15 -112.99 1.45 16 0 "[ . 1 . 2]"
142 . 1 101 GLN N 1 101 GLN CA 1 101 GLN C 1 102 SER N 53.90 173.90 109.74 88.44 127.05 . . 0 "[ . 1 . 2]"
143 . 1 101 GLN C 1 102 SER N 1 102 SER CA 1 102 SER C -98.90 -33.70 -81.06 -85.39 -88.29 0.52 11 0 "[ . 1 . 2]"
144 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 SER N -64.80 10.40 -42.03 -37.34 -39.51 . . 0 "[ . 1 . 2]"
145 . 1 102 SER C 1 103 SER N 1 103 SER CA 1 103 SER C -120.50 -71.50 -92.83 -121.16 -75.47 0.66 16 0 "[ . 1 . 2]"
146 . 1 103 SER N 1 103 SER CA 1 103 SER C 1 104 TRP N -31.00 31.40 -24.46 -30.66 -31.22 4.70 20 0 "[ . 1 . 2]"
147 . 1 105 GLY C 1 106 THR N 1 106 THR CA 1 106 THR C -167.50 -53.50 -70.77 -55.41 -59.55 1.27 13 0 "[ . 1 . 2]"
148 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 GLY N 111.00 -167.80 147.23 147.70 145.31 0.40 3 0 "[ . 1 . 2]"
149 . 1 106 THR C 1 107 GLY N 1 107 GLY CA 1 107 GLY C 149.20 -90.80 -174.15 158.61 -122.01 . . 0 "[ . 1 . 2]"
150 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 GLU N 117.60 -131.40 165.30 131.74 -161.63 . . 0 "[ . 1 . 2]"
151 . 1 107 GLY C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -121.20 -25.80 -76.08 -82.71 -84.07 . . 0 "[ . 1 . 2]"
152 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 SER N -59.20 17.20 -29.83 -61.80 -9.55 2.60 19 0 "[ . 1 . 2]"
153 . 1 109 SER C 1 110 PHE N 1 110 PHE CA 1 110 PHE C -172.40 -52.40 -155.03 -168.19 -142.37 . . 0 "[ . 1 . 2]"
154 . 1 110 PHE N 1 110 PHE CA 1 110 PHE C 1 111 ARG N 106.40 -178.60 152.49 161.46 150.70 2.19 18 0 "[ . 1 . 2]"
155 . 1 110 PHE C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -163.80 -68.00 -107.72 -147.98 -77.92 . . 0 "[ . 1 . 2]"
156 . 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 THR N 98.80 161.20 117.49 109.36 106.21 . . 0 "[ . 1 . 2]"
157 . 1 111 ARG C 1 112 THR N 1 112 THR CA 1 112 THR C -154.10 -87.50 -96.79 -89.92 -92.03 2.51 7 0 "[ . 1 . 2]"
158 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 VAL N 106.00 163.40 122.86 117.34 113.09 0.35 1 0 "[ . 1 . 2]"
159 . 1 112 THR C 1 113 VAL N 1 113 VAL CA 1 113 VAL C -134.70 -104.70 -117.49 -133.80 -102.86 1.84 16 0 "[ . 1 . 2]"
160 . 1 113 VAL N 1 113 VAL CA 1 113 VAL C 1 114 LEU N 119.90 156.90 136.28 117.50 151.42 2.40 20 0 "[ . 1 . 2]"
161 . 1 113 VAL C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -166.00 -75.60 -103.61 -90.84 -93.96 . . 0 "[ . 1 . 2]"
162 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 VAL N 107.40 145.40 122.36 128.74 125.47 0.57 18 0 "[ . 1 . 2]"
163 . 1 114 LEU C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -136.70 -95.70 -114.16 -131.59 -96.03 . . 0 "[ . 1 . 2]"
164 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 ASN N 111.70 159.50 150.49 147.41 144.77 0.64 16 0 "[ . 1 . 2]"
165 . 1 116 ASN C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -76.00 -44.00 -57.51 -52.72 -55.22 . . 0 "[ . 1 . 2]"
166 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 ASP N -39.90 -9.90 -35.04 -41.49 -22.97 1.59 10 0 "[ . 1 . 2]"
167 . 1 117 ALA C 1 118 ASP N 1 118 ASP CA 1 118 ASP C -129.20 -51.80 -63.93 -75.40 -55.87 . . 0 "[ . 1 . 2]"
168 . 1 118 ASP N 1 118 ASP CA 1 118 ASP C 1 119 GLY N -39.00 22.40 -34.79 -40.74 -0.98 1.74 6 0 "[ . 1 . 2]"
169 . 1 118 ASP C 1 119 GLY N 1 119 GLY CA 1 119 GLY C 68.80 110.80 105.82 100.07 95.28 1.77 8 0 "[ . 1 . 2]"
170 . 1 119 GLY N 1 119 GLY CA 1 119 GLY C 1 120 GLU N -18.80 33.60 -6.46 -19.48 25.28 0.68 7 0 "[ . 1 . 2]"
171 . 1 119 GLY C 1 120 GLU N 1 120 GLU CA 1 120 GLU C -136.20 -51.80 -78.03 -82.88 -86.64 . . 0 "[ . 1 . 2]"
172 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 GLU N 107.90 161.50 145.43 146.47 141.37 . . 0 "[ . 1 . 2]"
173 . 1 120 GLU C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -133.70 -13.70 -82.95 -92.71 -74.42 . . 0 "[ . 1 . 2]"
174 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 VAL N 82.50 172.70 99.68 98.27 96.89 0.03 5 0 "[ . 1 . 2]"
175 . 1 121 GLU C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -141.60 -64.00 -78.99 -82.04 -85.11 . . 0 "[ . 1 . 2]"
176 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 ALA N -52.40 3.60 -28.01 -21.00 -22.71 . . 0 "[ . 1 . 2]"
177 . 1 122 VAL C 1 123 ALA N 1 123 ALA CA 1 123 ALA C 164.80 -132.20 -144.64 -159.36 -131.53 0.67 5 0 "[ . 1 . 2]"
178 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 MET N 134.50 -177.70 153.52 131.66 165.81 2.84 11 0 "[ . 1 . 2]"
179 . 1 123 ALA C 1 124 MET N 1 124 MET CA 1 124 MET C -180.00 -60.00 -157.20 -164.21 -168.51 . . 0 "[ . 1 . 2]"
180 . 1 124 MET N 1 124 MET CA 1 124 MET C 1 125 ARG N 110.10 -179.90 129.75 108.25 147.67 1.85 17 0 "[ . 1 . 2]"
181 . 1 124 MET C 1 125 ARG N 1 125 ARG CA 1 125 ARG C 173.80 -78.00 -139.15 -133.22 -137.32 . . 0 "[ . 1 . 2]"
182 . 1 125 ARG N 1 125 ARG CA 1 125 ARG C 1 126 THR N 107.30 163.90 118.67 130.59 126.31 3.11 16 0 "[ . 1 . 2]"
183 . 1 125 ARG C 1 126 THR N 1 126 THR CA 1 126 THR C -162.10 -67.50 -90.08 -139.98 -79.12 . . 0 "[ . 1 . 2]"
184 . 1 126 THR N 1 126 THR CA 1 126 THR C 1 127 VAL N 99.80 148.60 122.52 109.48 103.72 0.76 16 0 "[ . 1 . 2]"
185 . 1 126 THR C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -147.00 -87.40 -119.75 -147.42 -98.96 0.42 12 0 "[ . 1 . 2]"
186 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 LYS N 111.50 158.50 130.51 111.02 147.29 0.48 20 0 "[ . 1 . 2]"
187 . 1 127 VAL C 1 128 LYS N 1 128 LYS CA 1 128 LYS C -172.70 -52.70 -120.36 -122.15 -126.15 . . 0 "[ . 1 . 2]"
188 . 1 128 LYS N 1 128 LYS CA 1 128 LYS C 1 129 LYS N 100.80 176.40 136.08 110.20 168.88 . . 0 "[ . 1 . 2]"
189 . 1 128 LYS C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -150.60 -30.60 -68.76 -75.99 -76.91 . . 0 "[ . 1 . 2]"
190 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 SER N 78.00 -175.40 96.14 83.34 82.91 0.72 11 0 "[ . 1 . 2]"
191 . 1 34 LYS C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -170.40 -130.00 -155.35 -164.59 -146.52 . . 0 "[ . 1 . 2]"
192 . 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 VAL N 121.50 161.70 159.53 147.07 163.52 1.82 17 0 "[ . 1 . 2]"
193 . 1 48 LEU C 1 49 GLY N 1 49 GLY CA 1 49 GLY C 124.20 144.20 140.56 122.05 147.94 3.74 6 0 "[ . 1 . 2]"
194 . 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 ASN N -65.60 -52.00 -60.39 -58.62 -62.99 1.82 11 0 "[ . 1 . 2]"
195 . 1 103 SER C 1 104 TRP N 1 104 TRP CA 1 104 TRP C 54.00 62.00 56.40 58.44 56.57 2.52 11 0 "[ . 1 . 2]"
196 . 1 104 TRP N 1 104 TRP CA 1 104 TRP C 1 105 GLY N 24.00 37.60 28.98 21.80 39.24 2.20 18 0 "[ . 1 . 2]"
197 . 1 104 TRP C 1 105 GLY N 1 105 GLY CA 1 105 GLY C 63.20 79.20 67.83 79.41 74.95 1.02 3 0 "[ . 1 . 2]"
198 . 1 105 GLY N 1 105 GLY CA 1 105 GLY C 1 106 THR N 38.00 91.60 64.46 75.68 71.12 . . 0 "[ . 1 . 2]"
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