NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
498518 |
2l8o   |
17420 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l8o
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 228
_TA_constraint_stats_list.Viol_count 588
_TA_constraint_stats_list.Viol_total 16212.06
_TA_constraint_stats_list.Viol_max 10.74
_TA_constraint_stats_list.Viol_rms 0.65
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 1.38
_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 2 ASN C 1 3 LYS N 1 3 LYS CA 1 3 LYS C -124.41 -73.69 -84.68 -126.39 -71.42 2.27 5 0 "[ . 1 . 2]"
2 . 1 3 LYS N 1 3 LYS CA 1 3 LYS C 1 4 ILE N -64.54 49.77 47.82 -69.68 55.92 6.15 20 8 "[* *** 1 * . -* +]"
3 . 1 3 LYS C 1 4 ILE N 1 4 ILE CA 1 4 ILE C 160.67 16.82 -60.06 -53.26 -54.65 . . 0 "[ . 1 . 2]"
4 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 THR N 73.88 -151.06 136.91 134.63 133.01 . . 0 "[ . 1 . 2]"
5 . 1 4 ILE C 1 5 THR N 1 5 THR CA 1 5 THR C -136.48 -82.68 -132.85 -137.77 -112.89 1.29 17 0 "[ . 1 . 2]"
6 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 VAL N 125.59 160.35 138.34 128.90 160.07 . . 0 "[ . 1 . 2]"
7 . 1 5 THR C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -154.74 -115.40 -137.04 -139.69 -132.49 . . 0 "[ . 1 . 2]"
8 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 GLU N 143.63 176.41 157.66 157.05 156.59 . . 0 "[ . 1 . 2]"
9 . 1 6 VAL C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -146.51 -92.97 -146.44 -150.11 -138.44 3.60 17 0 "[ . 1 . 2]"
10 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 VAL N 128.20 167.37 160.30 159.92 158.92 . . 0 "[ . 1 . 2]"
11 . 1 7 GLU C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -174.22 -122.98 -146.87 -152.02 -133.48 . . 0 "[ . 1 . 2]"
12 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 THR N 126.89 157.44 143.95 126.43 158.90 1.46 15 0 "[ . 1 . 2]"
13 . 1 8 VAL C 1 9 THR N 1 9 THR CA 1 9 THR C -142.06 -84.77 -97.20 -122.45 -88.76 . . 0 "[ . 1 . 2]"
14 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 VAL N 110.52 134.51 120.17 118.25 117.65 1.47 16 0 "[ . 1 . 2]"
15 . 1 9 THR C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -137.28 -103.50 -125.52 -131.06 -118.55 . . 0 "[ . 1 . 2]"
16 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 TYR N 104.46 142.87 128.73 127.02 126.12 . . 0 "[ . 1 . 2]"
17 . 1 10 VAL C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -133.71 -57.92 -94.97 -100.16 -87.70 . . 0 "[ . 1 . 2]"
18 . 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 ALA N 89.77 172.00 89.06 85.41 93.96 4.36 2 0 "[ . 1 . 2]"
19 . 1 11 TYR C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -168.99 -102.51 -170.01 -171.45 -168.41 2.46 2 0 "[ . 1 . 2]"
20 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 ALA N 116.61 179.71 152.56 147.05 155.25 . . 0 "[ . 1 . 2]"
21 . 1 12 ALA C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -123.18 -63.29 -63.37 -64.86 -61.80 1.50 17 0 "[ . 1 . 2]"
22 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 ILE N 114.51 147.67 134.11 118.84 140.44 . . 0 "[ . 1 . 2]"
23 . 1 13 ALA C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -81.28 -46.07 -52.66 -54.52 -50.72 . . 0 "[ . 1 . 2]"
24 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 GLU N -47.89 3.63 -35.73 -33.31 -34.39 . . 0 "[ . 1 . 2]"
25 . 1 14 ILE C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -73.83 -48.84 -62.04 -64.25 -67.66 . . 0 "[ . 1 . 2]"
26 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 LYS N -49.06 -18.30 -37.65 -42.73 -33.10 . . 0 "[ . 1 . 2]"
27 . 1 15 GLU C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -74.43 -56.01 -72.37 -75.21 -68.64 0.77 8 0 "[ . 1 . 2]"
28 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 VAL N -51.11 -33.04 -47.79 -48.24 -50.21 0.83 9 0 "[ . 1 . 2]"
29 . 1 16 LYS C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -68.85 -52.88 -62.91 -63.09 -63.39 . . 0 "[ . 1 . 2]"
30 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 TRP N -54.01 -38.47 -41.29 -43.93 -36.19 2.28 19 0 "[ . 1 . 2]"
31 . 1 17 VAL C 1 18 TRP N 1 18 TRP CA 1 18 TRP C -63.67 -49.47 -54.78 -58.72 -48.92 0.55 10 0 "[ . 1 . 2]"
32 . 1 18 TRP N 1 18 TRP CA 1 18 TRP C 1 19 LYS N -49.18 -36.50 -43.02 -40.88 -43.41 1.91 10 0 "[ . 1 . 2]"
33 . 1 18 TRP C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -68.93 -55.56 -65.96 -65.70 -66.78 0.46 17 0 "[ . 1 . 2]"
34 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 TYR N -53.35 -37.25 -48.19 -55.76 -44.69 2.41 7 0 "[ . 1 . 2]"
35 . 1 19 LYS C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -74.15 -56.75 -66.42 -69.67 -63.18 . . 0 "[ . 1 . 2]"
36 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 TRP N -43.07 -17.00 -42.61 -41.63 -42.34 1.59 15 0 "[ . 1 . 2]"
37 . 1 20 TYR C 1 21 TRP N 1 21 TRP CA 1 21 TRP C -82.00 -48.44 -66.41 -64.13 -65.57 . . 0 "[ . 1 . 2]"
38 . 1 21 TRP N 1 21 TRP CA 1 21 TRP C 1 22 ASN N -53.22 -18.09 -18.55 -19.65 -20.02 2.46 10 0 "[ . 1 . 2]"
39 . 1 22 ASN C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -130.09 -45.10 -62.28 -54.76 -62.50 . . 0 "[ . 1 . 2]"
40 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 PRO N 77.47 174.28 121.40 106.21 138.71 . . 0 "[ . 1 . 2]"
41 . 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 ALA N -40.55 -23.21 -39.32 -43.48 -31.36 2.93 17 0 "[ . 1 . 2]"
42 . 1 24 PRO C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -80.05 -51.70 -59.36 -62.73 -56.11 . . 0 "[ . 1 . 2]"
43 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 HIS N -44.94 -10.43 -34.62 -35.90 -37.29 . . 0 "[ . 1 . 2]"
44 . 1 25 ALA C 1 26 HIS N 1 26 HIS CA 1 26 HIS C -79.41 -59.98 -74.65 -81.17 -65.36 1.76 20 0 "[ . 1 . 2]"
45 . 1 26 HIS N 1 26 HIS CA 1 26 HIS C 1 27 ILE N -45.88 -32.44 -41.96 -41.45 -42.36 0.38 17 0 "[ . 1 . 2]"
46 . 1 26 HIS C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -70.67 -52.71 -62.37 -62.24 -62.48 . . 0 "[ . 1 . 2]"
47 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 MET N -51.21 -26.99 -46.31 -52.41 -42.98 1.20 14 0 "[ . 1 . 2]"
48 . 1 27 ILE C 1 28 MET N 1 28 MET CA 1 28 MET C -94.72 -45.29 -61.64 -55.88 -57.64 . . 0 "[ . 1 . 2]"
49 . 1 28 MET N 1 28 MET CA 1 28 MET C 1 29 LYS N -38.76 1.95 -13.99 -24.90 -0.02 . . 0 "[ . 1 . 2]"
50 . 1 28 MET C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -118.57 -43.73 -78.98 -81.32 -84.49 . . 0 "[ . 1 . 2]"
51 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 TRP N -57.26 -4.37 -33.09 -50.25 -25.98 . . 0 "[ . 1 . 2]"
52 . 1 30 TRP C 1 31 CYS N 1 31 CYS CA 1 31 CYS C 144.32 80.83 -53.65 -67.93 30.71 . . 0 "[ . 1 . 2]"
53 . 1 31 CYS N 1 31 CYS CA 1 31 CYS C 1 32 GLN N 69.28 -139.40 130.96 133.17 131.34 8.41 11 1 "[ . 1+ . 2]"
54 . 1 33 ALA C 1 34 SER N 1 34 SER CA 1 34 SER C -166.75 -69.54 -124.50 -115.12 -118.86 . . 0 "[ . 1 . 2]"
55 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 PRO N 42.49 172.42 128.77 96.45 141.51 . . 0 "[ . 1 . 2]"
56 . 1 35 PRO N 1 35 PRO CA 1 35 PRO C 1 36 GLU N -31.02 -9.78 -16.81 -30.05 -8.90 0.89 20 0 "[ . 1 . 2]"
57 . 1 35 PRO C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -107.97 -69.19 -80.05 -79.91 -81.93 0.43 16 0 "[ . 1 . 2]"
58 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 TRP N -22.07 19.07 0.01 -26.63 15.08 4.56 4 0 "[ . 1 . 2]"
59 . 1 36 GLU C 1 37 TRP N 1 37 TRP CA 1 37 TRP C -173.84 -79.94 -137.47 -146.89 -147.32 . . 0 "[ . 1 . 2]"
60 . 1 37 TRP N 1 37 TRP CA 1 37 TRP C 1 38 HIS N 96.87 -155.85 156.56 156.31 155.66 . . 0 "[ . 1 . 2]"
61 . 1 37 TRP C 1 38 HIS N 1 38 HIS CA 1 38 HIS C -150.40 -111.69 -141.94 -149.13 -117.33 . . 0 "[ . 1 . 2]"
62 . 1 38 HIS N 1 38 HIS CA 1 38 HIS C 1 39 VAL N 134.43 162.93 161.61 163.18 163.01 1.22 18 0 "[ . 1 . 2]"
63 . 1 38 HIS C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -158.60 -79.75 -124.91 -123.73 -125.21 . . 0 "[ . 1 . 2]"
64 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 PRO N 90.90 169.80 91.98 94.33 93.14 3.81 6 0 "[ . 1 . 2]"
65 . 1 41 ALA C 1 42 ALA N 1 42 ALA CA 1 42 ALA C 173.95 -77.87 -162.06 -170.00 -153.59 . . 0 "[ . 1 . 2]"
66 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 GLN N 120.45 169.80 147.98 141.74 156.05 . . 0 "[ . 1 . 2]"
67 . 1 42 ALA C 1 43 GLN N 1 43 GLN CA 1 43 GLN C -161.74 -84.13 -139.86 -150.72 -133.72 . . 0 "[ . 1 . 2]"
68 . 1 43 GLN N 1 43 GLN CA 1 43 GLN C 1 44 ASN N 108.59 169.83 148.99 145.94 145.33 . . 0 "[ . 1 . 2]"
69 . 1 43 GLN C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -160.51 -81.92 -160.94 -164.52 -152.56 4.01 2 0 "[ . 1 . 2]"
70 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 ASP N 105.65 134.97 124.87 135.27 134.02 2.60 19 0 "[ . 1 . 2]"
71 . 1 44 ASN C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -133.12 -79.82 -121.21 -125.45 -128.98 2.35 4 0 "[ . 1 . 2]"
72 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 LEU N 76.79 144.71 95.18 99.12 97.53 . . 0 "[ . 1 . 2]"
73 . 1 45 ASP C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -125.51 -60.15 -67.76 -65.73 -65.80 . . 0 "[ . 1 . 2]"
74 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 LYS N 94.79 148.66 95.54 92.74 102.34 2.05 15 0 "[ . 1 . 2]"
75 . 1 46 LEU C 1 47 LYS N 1 47 LYS CA 1 47 LYS C 158.34 -14.27 -167.24 -171.41 -149.08 . . 0 "[ . 1 . 2]"
76 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ALA N 99.06 -145.10 141.88 129.92 151.06 . . 0 "[ . 1 . 2]"
77 . 1 47 LYS C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -65.28 -42.58 -59.96 -61.83 -63.09 . . 0 "[ . 1 . 2]"
78 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 GLY N 123.25 137.57 135.65 123.19 138.19 0.62 1 0 "[ . 1 . 2]"
79 . 1 48 ALA C 1 49 GLY N 1 49 GLY CA 1 49 GLY C 68.68 109.95 73.44 68.78 80.68 . . 0 "[ . 1 . 2]"
80 . 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 GLY N -34.47 8.99 1.17 -2.29 5.19 . . 0 "[ . 1 . 2]"
81 . 1 49 GLY C 1 50 GLY N 1 50 GLY CA 1 50 GLY C -164.32 -71.12 -81.16 -82.77 -85.21 . . 0 "[ . 1 . 2]"
82 . 1 50 GLY N 1 50 GLY CA 1 50 GLY C 1 51 THR N 84.44 -155.04 161.54 146.14 174.22 . . 0 "[ . 1 . 2]"
83 . 1 50 GLY C 1 51 THR N 1 51 THR CA 1 51 THR C -173.32 -95.50 -123.21 -113.42 -115.69 . . 0 "[ . 1 . 2]"
84 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 PHE N 129.86 -177.37 160.33 144.01 172.92 . . 0 "[ . 1 . 2]"
85 . 1 51 THR C 1 52 PHE N 1 52 PHE CA 1 52 PHE C -168.47 -106.78 -141.40 -156.72 -127.16 . . 0 "[ . 1 . 2]"
86 . 1 52 PHE N 1 52 PHE CA 1 52 PHE C 1 53 THR N 137.57 168.97 162.92 152.84 170.02 1.05 16 0 "[ . 1 . 2]"
87 . 1 52 PHE C 1 53 THR N 1 53 THR CA 1 53 THR C -164.61 -65.31 -152.41 -161.31 -146.17 . . 0 "[ . 1 . 2]"
88 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 THR N 107.82 148.69 124.89 123.96 122.56 . . 0 "[ . 1 . 2]"
89 . 1 53 THR C 1 54 THR N 1 54 THR CA 1 54 THR C -136.05 -81.72 -118.87 -131.39 -106.99 . . 0 "[ . 1 . 2]"
90 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 THR N 111.68 139.11 119.38 118.31 116.57 . . 0 "[ . 1 . 2]"
91 . 1 54 THR C 1 55 THR N 1 55 THR CA 1 55 THR C -125.08 -79.30 -91.52 -94.89 -95.11 . . 0 "[ . 1 . 2]"
92 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 MET N 111.49 142.10 117.60 111.14 125.11 0.35 12 0 "[ . 1 . 2]"
93 . 1 55 THR C 1 56 MET N 1 56 MET CA 1 56 MET C -149.16 -94.30 -129.84 -137.06 -141.82 . . 0 "[ . 1 . 2]"
94 . 1 56 MET N 1 56 MET CA 1 56 MET C 1 57 ALA N 105.62 157.59 129.15 104.55 144.83 1.07 17 0 "[ . 1 . 2]"
95 . 1 56 MET C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -160.62 -84.75 -142.76 -148.72 -149.78 . . 0 "[ . 1 . 2]"
96 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 ALA N 112.52 168.10 146.15 135.12 158.04 . . 0 "[ . 1 . 2]"
97 . 1 57 ALA C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -108.72 -52.73 -66.16 -76.02 -59.35 . . 0 "[ . 1 . 2]"
98 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 LYS N 93.54 146.27 148.78 148.28 148.07 4.45 10 0 "[ . 1 . 2]"
99 . 1 58 ALA C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -68.10 -50.14 -56.67 -55.43 -55.93 . . 0 "[ . 1 . 2]"
100 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 ASP N -39.22 -22.49 -38.24 -40.48 -31.97 1.26 7 0 "[ . 1 . 2]"
101 . 1 59 LYS C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -103.24 -66.82 -76.67 -75.58 -76.18 . . 0 "[ . 1 . 2]"
102 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 GLY N -9.39 27.31 -9.23 -11.38 -6.06 1.99 20 0 "[ . 1 . 2]"
103 . 1 61 GLY C 1 62 SER N 1 62 SER CA 1 62 SER C -105.82 -52.45 -68.44 -83.93 -60.85 . . 0 "[ . 1 . 2]"
104 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 MET N -51.12 -9.70 -29.83 -25.52 -33.49 . . 0 "[ . 1 . 2]"
105 . 1 63 MET C 1 64 SER N 1 64 SER CA 1 64 SER C -141.43 -74.95 -144.68 -146.81 -142.70 5.38 17 1 "[ . 1 . + 2]"
106 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 PHE N 111.63 172.97 148.98 161.10 158.86 . . 0 "[ . 1 . 2]"
107 . 1 64 SER C 1 65 PHE N 1 65 PHE CA 1 65 PHE C -158.86 -97.38 -157.72 -159.47 -159.81 1.14 14 0 "[ . 1 . 2]"
108 . 1 65 PHE N 1 65 PHE CA 1 65 PHE C 1 66 ASP N 118.60 171.39 157.97 163.68 162.53 . . 0 "[ . 1 . 2]"
109 . 1 65 PHE C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -137.46 -75.74 -130.88 -138.04 -138.18 2.25 17 0 "[ . 1 . 2]"
110 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 PHE N 96.91 145.21 122.71 99.73 142.88 . . 0 "[ . 1 . 2]"
111 . 1 66 ASP C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -130.85 -95.27 -94.70 -97.43 -93.33 1.94 8 0 "[ . 1 . 2]"
112 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 GLY N 104.95 152.24 137.80 139.63 137.69 . . 0 "[ . 1 . 2]"
113 . 1 67 PHE C 1 68 GLY N 1 68 GLY CA 1 68 GLY C -166.35 -103.70 -154.88 -154.44 -155.38 0.60 12 0 "[ . 1 . 2]"
114 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 GLY N 134.92 -174.67 156.41 134.92 176.44 . . 0 "[ . 1 . 2]"
115 . 1 68 GLY C 1 69 GLY N 1 69 GLY CA 1 69 GLY C 124.89 -87.10 -175.16 -179.09 -167.01 . . 0 "[ . 1 . 2]"
116 . 1 69 GLY N 1 69 GLY CA 1 69 GLY C 1 70 VAL N 129.26 -172.30 -174.23 175.30 -171.14 1.16 20 0 "[ . 1 . 2]"
117 . 1 69 GLY C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -153.46 -89.49 -126.92 -132.46 -117.12 . . 0 "[ . 1 . 2]"
118 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 TYR N 124.73 159.36 137.28 128.84 156.81 . . 0 "[ . 1 . 2]"
119 . 1 70 VAL C 1 71 TYR N 1 71 TYR CA 1 71 TYR C -94.58 -59.59 -75.98 -72.68 -73.97 . . 0 "[ . 1 . 2]"
120 . 1 71 TYR N 1 71 TYR CA 1 71 TYR C 1 72 ASP N 112.79 140.36 119.82 112.23 126.12 0.56 5 0 "[ . 1 . 2]"
121 . 1 71 TYR C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -121.08 -74.31 -74.55 -74.51 -75.22 2.20 3 0 "[ . 1 . 2]"
122 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 GLN N -61.84 -21.40 -40.30 -48.14 -26.90 . . 0 "[ . 1 . 2]"
123 . 1 72 ASP C 1 73 GLN N 1 73 GLN CA 1 73 GLN C 178.94 -129.99 -160.61 -168.57 -139.81 . . 0 "[ . 1 . 2]"
124 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 VAL N 131.65 172.51 145.69 147.62 146.40 . . 0 "[ . 1 . 2]"
125 . 1 73 GLN C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -160.84 -96.94 -138.74 -149.95 -132.78 . . 0 "[ . 1 . 2]"
126 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 LYS N 108.07 143.34 132.39 136.56 135.26 . . 0 "[ . 1 . 2]"
127 . 1 74 VAL C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -157.28 -72.12 -142.96 -144.19 -145.17 . . 0 "[ . 1 . 2]"
128 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 THR N 108.39 149.52 124.09 128.32 126.17 . . 0 "[ . 1 . 2]"
129 . 1 78 ASP C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -164.14 -111.97 -152.99 -164.22 -146.27 0.08 15 0 "[ . 1 . 2]"
130 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 ILE N 119.20 171.84 141.93 131.60 161.52 . . 0 "[ . 1 . 2]"
131 . 1 79 LEU C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -157.17 -112.95 -131.52 -136.06 -127.29 . . 0 "[ . 1 . 2]"
132 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 GLU N 106.12 155.77 131.43 129.47 127.97 . . 0 "[ . 1 . 2]"
133 . 1 80 ILE C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -152.36 -83.42 -152.25 -154.21 -145.42 1.84 2 0 "[ . 1 . 2]"
134 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 TYR N 130.02 165.26 160.61 164.88 164.47 0.30 10 0 "[ . 1 . 2]"
135 . 1 81 GLU C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -164.08 -120.92 -157.99 -154.50 -155.05 . . 0 "[ . 1 . 2]"
136 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 THR N 127.44 169.45 157.20 155.10 154.98 . . 0 "[ . 1 . 2]"
137 . 1 82 TYR C 1 83 THR N 1 83 THR CA 1 83 THR C -132.91 -69.96 -99.61 -87.52 -87.58 . . 0 "[ . 1 . 2]"
138 . 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 ILE N 108.52 148.32 131.36 127.65 135.24 . . 0 "[ . 1 . 2]"
139 . 1 85 GLY C 1 86 ASP N 1 86 ASP CA 1 86 ASP C -119.62 -61.45 -67.26 -120.41 -60.26 1.19 17 0 "[ . 1 . 2]"
140 . 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 GLY N -19.82 18.41 -14.68 -17.80 -18.20 1.53 8 0 "[ . 1 . 2]"
141 . 1 86 ASP C 1 87 GLY N 1 87 GLY CA 1 87 GLY C 76.22 109.68 93.07 82.00 103.28 . . 0 "[ . 1 . 2]"
142 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 ARG N -19.32 8.92 0.51 2.94 1.79 2.68 19 0 "[ . 1 . 2]"
143 . 1 87 GLY C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -156.74 14.73 -68.36 -77.86 -58.94 . . 0 "[ . 1 . 2]"
144 . 1 88 ARG N 1 88 ARG CA 1 88 ARG C 1 89 LYS N 113.80 174.25 149.58 136.52 174.97 0.72 4 0 "[ . 1 . 2]"
145 . 1 88 ARG C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -145.76 -75.50 -112.75 -121.95 -123.66 0.49 4 0 "[ . 1 . 2]"
146 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 VAL N 119.37 168.91 139.75 121.98 118.38 0.99 1 0 "[ . 1 . 2]"
147 . 1 89 LYS C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -141.89 -102.01 -138.77 -144.99 -131.96 3.10 19 0 "[ . 1 . 2]"
148 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 ARG N 113.56 145.88 130.18 128.64 125.96 0.53 11 0 "[ . 1 . 2]"
149 . 1 90 VAL C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -134.91 -81.96 -129.80 -138.94 -93.92 4.03 17 0 "[ . 1 . 2]"
150 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 ILE N 106.89 142.52 132.31 138.70 136.63 0.41 18 0 "[ . 1 . 2]"
151 . 1 91 ARG C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -137.73 -95.55 -118.07 -129.94 -108.72 . . 0 "[ . 1 . 2]"
152 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 VAL N 114.18 145.28 118.95 116.18 114.68 2.66 1 0 "[ . 1 . 2]"
153 . 1 92 ILE C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -125.49 -97.56 -109.96 -118.82 -97.36 0.20 1 0 "[ . 1 . 2]"
154 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 PHE N 106.46 132.76 125.98 114.90 133.55 0.79 11 0 "[ . 1 . 2]"
155 . 1 93 VAL C 1 94 PHE N 1 94 PHE CA 1 94 PHE C -131.56 -87.01 -97.31 -103.93 -89.87 . . 0 "[ . 1 . 2]"
156 . 1 94 PHE N 1 94 PHE CA 1 94 PHE C 1 95 THR N 110.15 156.35 124.38 125.16 123.67 0.94 19 0 "[ . 1 . 2]"
157 . 1 94 PHE C 1 95 THR N 1 95 THR CA 1 95 THR C -150.66 -97.41 -130.09 -140.36 -144.75 . . 0 "[ . 1 . 2]"
158 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 HIS N 118.36 177.19 146.19 150.69 149.77 . . 0 "[ . 1 . 2]"
159 . 1 95 THR C 1 96 HIS N 1 96 HIS CA 1 96 HIS C -153.66 -98.70 -147.19 -154.89 -100.73 1.23 17 0 "[ . 1 . 2]"
160 . 1 96 HIS N 1 96 HIS CA 1 96 HIS C 1 97 THR N 121.83 172.76 151.47 143.08 129.16 0.27 3 0 "[ . 1 . 2]"
161 . 1 99 ASP C 1 100 THR N 1 100 THR CA 1 100 THR C -172.89 -95.01 -140.07 -134.72 -147.18 . . 0 "[ . 1 . 2]"
162 . 1 100 THR N 1 100 THR CA 1 100 THR C 1 101 THR N 119.11 168.33 133.26 119.22 165.18 . . 0 "[ . 1 . 2]"
163 . 1 100 THR C 1 101 THR N 1 101 THR CA 1 101 THR C -162.73 -83.86 -113.60 -143.14 -83.99 . . 0 "[ . 1 . 2]"
164 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 ASN N 111.53 147.96 134.45 124.97 146.44 . . 0 "[ . 1 . 2]"
165 . 1 101 THR C 1 102 ASN N 1 102 ASN CA 1 102 ASN C -139.02 -82.73 -118.96 -119.26 -120.47 . . 0 "[ . 1 . 2]"
166 . 1 102 ASN N 1 102 ASN CA 1 102 ASN C 1 103 ILE N 113.39 147.98 121.71 119.35 117.53 2.24 15 0 "[ . 1 . 2]"
167 . 1 102 ASN C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -136.90 -88.72 -101.21 -107.55 -92.35 . . 0 "[ . 1 . 2]"
168 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 VAL N 111.97 142.46 125.86 126.27 125.79 . . 0 "[ . 1 . 2]"
169 . 1 103 ILE C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -139.45 -82.72 -122.90 -134.04 -105.15 . . 0 "[ . 1 . 2]"
170 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 GLU N 110.63 140.71 130.55 130.32 128.52 . . 0 "[ . 1 . 2]"
171 . 1 104 VAL C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -141.94 -99.32 -139.89 -144.98 -127.94 3.04 18 0 "[ . 1 . 2]"
172 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 SER N 114.31 155.19 137.67 131.51 125.43 . . 0 "[ . 1 . 2]"
173 . 1 105 GLU C 1 106 SER N 1 106 SER CA 1 106 SER C -137.91 -96.85 -121.83 -138.92 -94.23 2.62 18 0 "[ . 1 . 2]"
174 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 PHE N 111.50 147.83 145.26 127.68 153.33 5.50 4 1 "[ +. 1 . 2]"
175 . 1 106 SER C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -154.78 -111.18 -140.37 -157.13 -117.51 2.35 6 0 "[ . 1 . 2]"
176 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 ASP N 140.75 176.11 156.80 139.74 174.81 1.00 18 0 "[ . 1 . 2]"
177 . 1 107 PHE C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -156.39 -66.29 -112.06 -97.53 -102.36 . . 0 "[ . 1 . 2]"
178 . 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 PRO N 81.87 -176.22 98.43 110.95 102.30 3.90 3 0 "[ . 1 . 2]"
179 . 1 110 GLU C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -83.98 -42.38 -74.67 -74.01 -78.23 1.33 8 0 "[ . 1 . 2]"
180 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 THR N -60.65 -14.51 -41.32 -71.39 -28.54 10.74 8 1 "[ . + 1 . 2]"
181 . 1 111 GLU C 1 112 THR N 1 112 THR CA 1 112 THR C -112.93 -63.77 -66.40 -64.43 -64.91 10.70 8 1 "[ . + 1 . 2]"
182 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 ASN N -43.51 9.05 -41.59 -46.32 -29.88 2.81 18 0 "[ . 1 . 2]"
183 . 1 112 THR C 1 113 ASN N 1 113 ASN CA 1 113 ASN C -139.76 -43.57 -76.72 -80.99 -85.18 . . 0 "[ . 1 . 2]"
184 . 1 113 ASN N 1 113 ASN CA 1 113 ASN C 1 114 PRO N 60.30 173.61 144.24 118.99 163.92 . . 0 "[ . 1 . 2]"
185 . 1 114 PRO C 1 115 ARG N 1 115 ARG CA 1 115 ARG C -68.93 -36.27 -65.51 -62.82 -64.37 0.70 4 0 "[ . 1 . 2]"
186 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C 1 116 GLU N -60.63 -25.44 -36.88 -39.33 -39.67 0.22 3 0 "[ . 1 . 2]"
187 . 1 115 ARG C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -65.24 -50.23 -56.20 -67.78 -48.92 2.54 4 0 "[ . 1 . 2]"
188 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 LEU N -49.61 -33.28 -45.50 -51.20 -37.11 1.59 5 0 "[ . 1 . 2]"
189 . 1 116 GLU C 1 117 LEU N 1 117 LEU CA 1 117 LEU C -75.58 -59.30 -65.26 -75.83 -60.74 0.25 12 0 "[ . 1 . 2]"
190 . 1 117 LEU N 1 117 LEU CA 1 117 LEU C 1 118 GLN N -51.17 -23.84 -44.60 -47.00 -50.81 1.44 4 0 "[ . 1 . 2]"
191 . 1 117 LEU C 1 118 GLN N 1 118 GLN CA 1 118 GLN C -73.48 -55.24 -62.68 -65.27 -72.14 0.53 4 0 "[ . 1 . 2]"
192 . 1 118 GLN N 1 118 GLN CA 1 118 GLN C 1 119 GLN N -53.69 -27.55 -45.16 -54.61 -27.97 0.92 12 0 "[ . 1 . 2]"
193 . 1 118 GLN C 1 119 GLN N 1 119 GLN CA 1 119 GLN C -67.76 -52.12 -54.90 -55.52 -57.42 1.24 5 0 "[ . 1 . 2]"
194 . 1 119 GLN N 1 119 GLN CA 1 119 GLN C 1 120 SER N -55.46 -35.51 -45.50 -54.49 -38.81 . . 0 "[ . 1 . 2]"
195 . 1 119 GLN C 1 120 SER N 1 120 SER CA 1 120 SER C -71.72 -55.84 -64.16 -62.33 -63.34 . . 0 "[ . 1 . 2]"
196 . 1 120 SER N 1 120 SER CA 1 120 SER C 1 121 GLY N -51.87 -22.14 -38.05 -43.36 -25.20 . . 0 "[ . 1 . 2]"
197 . 1 120 SER C 1 121 GLY N 1 121 GLY CA 1 121 GLY C -79.63 -53.96 -63.02 -64.15 -64.59 . . 0 "[ . 1 . 2]"
198 . 1 121 GLY N 1 121 GLY CA 1 121 GLY C 1 122 TRP N -51.32 -26.68 -51.27 -51.78 -51.87 1.13 9 0 "[ . 1 . 2]"
199 . 1 121 GLY C 1 122 TRP N 1 122 TRP CA 1 122 TRP C -71.96 -56.58 -63.06 -66.41 -59.04 . . 0 "[ . 1 . 2]"
200 . 1 122 TRP N 1 122 TRP CA 1 122 TRP C 1 123 GLN N -48.74 -33.26 -38.03 -42.96 -34.88 . . 0 "[ . 1 . 2]"
201 . 1 122 TRP C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -73.91 -55.08 -72.14 -76.09 -63.85 2.18 7 0 "[ . 1 . 2]"
202 . 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 ALA N -54.69 -29.29 -36.81 -37.06 -37.08 . . 0 "[ . 1 . 2]"
203 . 1 123 GLN C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -77.25 -55.49 -58.70 -56.67 -57.97 . . 0 "[ . 1 . 2]"
204 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 ILE N -52.67 -20.67 -51.34 -54.16 -49.45 1.49 14 0 "[ . 1 . 2]"
205 . 1 124 ALA C 1 125 ILE N 1 125 ILE CA 1 125 ILE C -85.00 -49.71 -63.11 -67.39 -60.89 . . 0 "[ . 1 . 2]"
206 . 1 125 ILE N 1 125 ILE CA 1 125 ILE C 1 126 LEU N -61.22 -25.50 -37.44 -36.96 -37.33 . . 0 "[ . 1 . 2]"
207 . 1 125 ILE C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -67.72 -51.39 -64.20 -61.52 -63.26 . . 0 "[ . 1 . 2]"
208 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 ASN N -52.12 -30.95 -40.37 -49.10 -36.61 . . 0 "[ . 1 . 2]"
209 . 1 126 LEU C 1 127 ASN N 1 127 ASN CA 1 127 ASN C -76.04 -56.04 -64.97 -77.87 -60.92 1.83 15 0 "[ . 1 . 2]"
210 . 1 127 ASN N 1 127 ASN CA 1 127 ASN C 1 128 SER N -47.43 -30.86 -38.07 -30.61 -30.95 0.25 2 0 "[ . 1 . 2]"
211 . 1 127 ASN C 1 128 SER N 1 128 SER CA 1 128 SER C -78.89 -58.92 -61.99 -76.79 -56.15 2.77 1 0 "[ . 1 . 2]"
212 . 1 128 SER N 1 128 SER CA 1 128 SER C 1 129 PHE N -49.52 -31.39 -35.25 -41.29 -29.16 2.23 14 0 "[ . 1 . 2]"
213 . 1 128 SER C 1 129 PHE N 1 129 PHE CA 1 129 PHE C -74.12 -53.90 -57.18 -59.68 -61.67 2.76 20 0 "[ . 1 . 2]"
214 . 1 129 PHE N 1 129 PHE CA 1 129 PHE C 1 130 LYS N -54.21 -12.82 -40.52 -42.65 -43.11 . . 0 "[ . 1 . 2]"
215 . 1 129 PHE C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -74.70 -49.56 -63.14 -61.50 -62.11 . . 0 "[ . 1 . 2]"
216 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 SER N -52.70 -37.66 -41.50 -43.49 -44.70 1.65 8 0 "[ . 1 . 2]"
217 . 1 130 LYS C 1 131 SER N 1 131 SER CA 1 131 SER C -72.60 -48.22 -60.79 -69.04 -54.66 . . 0 "[ . 1 . 2]"
218 . 1 131 SER N 1 131 SER CA 1 131 SER C 1 132 TYR N -56.99 -24.38 -41.10 -49.67 -34.87 . . 0 "[ . 1 . 2]"
219 . 1 131 SER C 1 132 TYR N 1 132 TYR CA 1 132 TYR C -72.92 -56.36 -61.95 -66.00 -60.06 . . 0 "[ . 1 . 2]"
220 . 1 132 TYR N 1 132 TYR CA 1 132 TYR C 1 133 THR N -53.25 -33.11 -46.62 -46.48 -47.25 . . 0 "[ . 1 . 2]"
221 . 1 132 TYR C 1 133 THR N 1 133 THR CA 1 133 THR C -68.61 -52.70 -62.06 -59.08 -60.46 . . 0 "[ . 1 . 2]"
222 . 1 133 THR N 1 133 THR CA 1 133 THR C 1 134 GLU N -51.11 -33.97 -42.05 -49.42 -32.52 1.45 1 0 "[ . 1 . 2]"
223 . 1 133 THR C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -91.06 -49.73 -67.71 -78.43 -58.15 . . 0 "[ . 1 . 2]"
224 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 ASN N -60.67 7.60 -32.96 -46.73 8.39 0.79 9 0 "[ . 1 . 2]"
225 . 1 134 GLU C 1 135 ASN N 1 135 ASN CA 1 135 ASN C -113.84 -58.22 -65.08 -85.50 -59.40 . . 0 "[ . 1 . 2]"
226 . 1 135 ASN N 1 135 ASN CA 1 135 ASN C 1 136 ASN N -42.34 8.04 -24.92 -43.88 8.90 1.53 10 0 "[ . 1 . 2]"
227 . 1 135 ASN C 1 136 ASN N 1 136 ASN CA 1 136 ASN C -121.97 -60.55 -65.29 -62.41 -62.58 1.77 6 0 "[ . 1 . 2]"
228 . 1 136 ASN N 1 136 ASN CA 1 136 ASN C 1 137 LEU N -54.36 35.78 -30.85 -47.96 8.16 . . 0 "[ . 1 . 2]"
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