NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412257 |
2b3w   |
6782 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2b3w
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 206
_TA_constraint_stats_list.Viol_count 147
_TA_constraint_stats_list.Viol_total 729.17
_TA_constraint_stats_list.Viol_max 0.82
_TA_constraint_stats_list.Viol_rms 0.06
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.25
_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 14 ASP C 1 15 THR N 1 15 THR CA 1 15 THR C -136.41 -76.41 -95.35 -134.44 -76.31 0.10 3 0 "[ . 1 . 2]"
2 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 ILE N 74.65 154.65 131.38 113.32 110.97 0.08 16 0 "[ . 1 . 2]"
3 . 1 15 THR C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -135.10 -75.10 -99.63 -124.81 -77.35 . . 0 "[ . 1 . 2]"
4 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 ILE N 95.68 175.68 111.31 95.78 124.11 . . 0 "[ . 1 . 2]"
5 . 1 16 ILE C 1 17 ILE N 1 17 ILE CA 1 17 ILE C -149.89 -89.89 -94.04 -93.21 -95.82 0.08 9 0 "[ . 1 . 2]"
6 . 1 17 ILE N 1 17 ILE CA 1 17 ILE C 1 18 ASN N 81.14 161.14 103.11 89.93 115.26 . . 0 "[ . 1 . 2]"
7 . 1 17 ILE C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -131.00 -71.00 -93.62 -84.86 -86.74 . . 0 "[ . 1 . 2]"
8 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 PHE N 101.37 -178.63 109.19 101.06 133.94 0.31 4 0 "[ . 1 . 2]"
9 . 1 18 ASN C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -160.68 -100.68 -111.78 -116.19 -117.47 . . 0 "[ . 1 . 2]"
10 . 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 TYR N 108.83 -171.17 147.11 146.48 141.54 . . 0 "[ . 1 . 2]"
11 . 1 19 PHE C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -150.20 -90.20 -147.11 -150.34 -150.48 0.52 19 0 "[ . 1 . 2]"
12 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 SER N 100.75 -179.25 129.82 122.90 114.29 0.53 8 0 "[ . 1 . 2]"
13 . 1 21 SER C 1 22 THR N 1 22 THR CA 1 22 THR C -93.98 -33.98 -77.31 -93.98 -55.44 0.00 17 0 "[ . 1 . 2]"
14 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 SER N -77.06 2.94 -24.84 -77.16 3.41 0.47 19 0 "[ . 1 . 2]"
15 . 1 25 ASP C 1 26 TYR N 1 26 TYR CA 1 26 TYR C -101.22 -41.22 -82.94 -78.37 -80.38 0.04 5 0 "[ . 1 . 2]"
16 . 1 26 TYR N 1 26 TYR CA 1 26 TYR C 1 27 GLY N -81.93 -1.93 -4.94 -1.95 -2.49 0.62 18 0 "[ . 1 . 2]"
17 . 1 26 TYR C 1 27 GLY N 1 27 GLY CA 1 27 GLY C -93.95 -33.95 -74.75 -71.28 -73.31 0.13 7 0 "[ . 1 . 2]"
18 . 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 ASP N -80.36 -0.36 -2.55 -4.15 -16.84 0.60 7 0 "[ . 1 . 2]"
19 . 1 27 GLY C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -100.11 -40.11 -57.49 -55.12 -56.48 . . 0 "[ . 1 . 2]"
20 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 PHE N -79.17 0.83 -24.04 -33.50 0.95 0.12 7 0 "[ . 1 . 2]"
21 . 1 30 SER C 1 31 ASN N 1 31 ASN CA 1 31 ASN C -94.06 -34.06 -69.35 -81.22 -51.15 . . 0 "[ . 1 . 2]"
22 . 1 31 ASN N 1 31 ASN CA 1 31 ASN C 1 32 PHE N -69.18 10.82 -14.67 -17.09 -19.82 0.03 15 0 "[ . 1 . 2]"
23 . 1 34 ALA C 1 35 TRP N 1 35 TRP CA 1 35 TRP C -133.53 -73.53 -109.92 -131.10 -89.85 . . 0 "[ . 1 . 2]"
24 . 1 35 TRP N 1 35 TRP CA 1 35 TRP C 1 36 PRO N 96.39 176.39 117.83 120.88 118.81 . . 0 "[ . 1 . 2]"
25 . 1 36 PRO C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -159.63 -99.63 -117.45 -126.11 -103.12 . . 0 "[ . 1 . 2]"
26 . 1 37 ILE N 1 37 ILE CA 1 37 ILE C 1 38 LYS N 117.22 -162.78 142.31 145.20 141.87 0.01 6 0 "[ . 1 . 2]"
27 . 1 37 ILE C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -131.20 -71.20 -103.12 -131.40 -81.58 0.20 3 0 "[ . 1 . 2]"
28 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 VAL N 84.28 164.28 99.92 87.83 107.67 . . 0 "[ . 1 . 2]"
29 . 1 38 LYS C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -147.49 -87.49 -120.88 -124.04 -126.16 . . 0 "[ . 1 . 2]"
30 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 ASP N 83.56 163.56 124.79 113.27 142.31 . . 0 "[ . 1 . 2]"
31 . 1 41 GLY C 1 42 LYS N 1 42 LYS CA 1 42 LYS C -145.86 -85.86 -118.23 -111.01 -114.67 . . 0 "[ . 1 . 2]"
32 . 1 42 LYS N 1 42 LYS CA 1 42 LYS C 1 43 THR N 110.11 -169.89 145.64 125.45 161.84 . . 0 "[ . 1 . 2]"
33 . 1 42 LYS C 1 43 THR N 1 43 THR CA 1 43 THR C -132.90 -72.90 -94.05 -105.29 -79.17 . . 0 "[ . 1 . 2]"
34 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 TRP N 85.08 165.08 113.43 98.03 131.67 . . 0 "[ . 1 . 2]"
35 . 1 43 THR C 1 44 TRP N 1 44 TRP CA 1 44 TRP C -135.09 -75.09 -104.00 -102.05 -104.31 . . 0 "[ . 1 . 2]"
36 . 1 44 TRP N 1 44 TRP CA 1 44 TRP C 1 45 PRO N 95.54 175.54 130.32 143.84 137.26 . . 0 "[ . 1 . 2]"
37 . 1 46 THR C 1 47 SER N 1 47 SER CA 1 47 SER C -94.36 -34.36 -63.57 -66.85 -67.51 . . 0 "[ . 1 . 2]"
38 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 GLU N -74.37 5.63 -38.88 -48.34 -28.42 . . 0 "[ . 1 . 2]"
39 . 1 47 SER C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -93.83 -33.83 -60.63 -76.93 -43.56 . . 0 "[ . 1 . 2]"
40 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 HIS N -81.20 -1.20 -30.63 -45.28 -1.13 0.07 12 0 "[ . 1 . 2]"
41 . 1 48 GLU C 1 49 HIS N 1 49 HIS CA 1 49 HIS C -92.94 -32.94 -66.09 -56.01 -59.82 . . 0 "[ . 1 . 2]"
42 . 1 49 HIS N 1 49 HIS CA 1 49 HIS C 1 50 TYR N -83.33 -3.33 -42.42 -43.90 -44.74 . . 0 "[ . 1 . 2]"
43 . 1 49 HIS C 1 50 TYR N 1 50 TYR CA 1 50 TYR C -97.27 -37.27 -70.93 -71.46 -72.30 . . 0 "[ . 1 . 2]"
44 . 1 50 TYR N 1 50 TYR CA 1 50 TYR C 1 51 PHE N -84.59 -4.59 -37.68 -46.50 -26.28 . . 0 "[ . 1 . 2]"
45 . 1 50 TYR C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -93.33 -33.33 -61.06 -72.03 -55.53 . . 0 "[ . 1 . 2]"
46 . 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 GLN N -86.54 -6.54 -47.21 -38.37 -40.14 . . 0 "[ . 1 . 2]"
47 . 1 51 PHE C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -93.44 -33.44 -68.43 -74.37 -85.97 . . 0 "[ . 1 . 2]"
48 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 ALA N -79.36 0.64 -38.34 -50.11 -13.31 . . 0 "[ . 1 . 2]"
49 . 1 52 GLN C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -98.72 -38.72 -65.44 -62.83 -65.69 . . 0 "[ . 1 . 2]"
50 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 GLN N -72.06 7.94 -38.24 -54.49 -27.60 . . 0 "[ . 1 . 2]"
51 . 1 53 ALA C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -112.65 -52.65 -83.26 -85.95 -88.42 . . 0 "[ . 1 . 2]"
52 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 LYS N -52.07 27.93 -17.50 -15.15 -16.84 . . 0 "[ . 1 . 2]"
53 . 1 58 ASP C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -86.10 -26.10 -64.09 -77.31 -50.98 . . 0 "[ . 1 . 2]"
54 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 LYS N -80.51 -0.51 -39.26 -40.13 -43.51 . . 0 "[ . 1 . 2]"
55 . 1 59 GLU C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -90.74 -30.74 -67.37 -65.18 -67.76 . . 0 "[ . 1 . 2]"
56 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 TYR N -78.84 1.16 -42.30 -56.88 -18.27 . . 0 "[ . 1 . 2]"
57 . 1 60 LYS C 1 61 TYR N 1 61 TYR CA 1 61 TYR C -93.95 -33.95 -70.44 -74.50 -77.06 . . 0 "[ . 1 . 2]"
58 . 1 61 TYR N 1 61 TYR CA 1 61 TYR C 1 62 ARG N -84.22 -4.22 -34.39 -45.75 -23.28 . . 0 "[ . 1 . 2]"
59 . 1 61 TYR C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -97.75 -37.75 -63.05 -71.44 -54.74 . . 0 "[ . 1 . 2]"
60 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 GLU N -78.19 1.81 -39.84 -42.79 -44.44 . . 0 "[ . 1 . 2]"
61 . 1 62 ARG C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -92.10 -32.10 -68.14 -83.51 -57.42 . . 0 "[ . 1 . 2]"
62 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 GLU N -84.34 -4.34 -32.55 -36.24 -39.51 . . 0 "[ . 1 . 2]"
63 . 1 63 GLU C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -93.99 -33.99 -66.24 -74.67 -58.93 . . 0 "[ . 1 . 2]"
64 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 ILE N -80.15 -0.15 -42.23 -40.75 -42.89 . . 0 "[ . 1 . 2]"
65 . 1 64 GLU C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -99.23 -39.23 -67.25 -77.05 -60.35 . . 0 "[ . 1 . 2]"
66 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 ARG N -83.99 -3.99 -28.30 -20.65 -22.24 . . 0 "[ . 1 . 2]"
67 . 1 65 ILE C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -90.23 -30.23 -75.54 -75.38 -76.69 . . 0 "[ . 1 . 2]"
68 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ARG N -80.38 -0.38 -23.58 -25.31 -28.17 . . 0 "[ . 1 . 2]"
69 . 1 66 ARG C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -113.47 -53.47 -84.35 -83.03 -85.24 . . 0 "[ . 1 . 2]"
70 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 VAL N -56.84 23.16 -24.37 -43.53 13.68 . . 0 "[ . 1 . 2]"
71 . 1 71 PRO C 1 72 MET N 1 72 MET CA 1 72 MET C -94.18 -34.18 -65.91 -66.41 -67.48 . . 0 "[ . 1 . 2]"
72 . 1 72 MET N 1 72 MET CA 1 72 MET C 1 73 VAL N -79.94 0.06 -36.25 -47.25 -22.84 . . 0 "[ . 1 . 2]"
73 . 1 72 MET C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -96.07 -36.07 -66.77 -75.98 -60.22 . . 0 "[ . 1 . 2]"
74 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 ALA N -85.22 -5.22 -39.20 -34.09 -36.20 . . 0 "[ . 1 . 2]"
75 . 1 73 VAL C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -91.72 -31.72 -62.57 -67.57 -58.46 . . 0 "[ . 1 . 2]"
76 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 ALA N -81.38 -1.38 -45.33 -58.51 -38.74 . . 0 "[ . 1 . 2]"
77 . 1 74 ALA C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -93.33 -33.33 -63.38 -67.23 -68.64 . . 0 "[ . 1 . 2]"
78 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 ARG N -80.28 -0.28 -40.32 -50.33 -30.52 . . 0 "[ . 1 . 2]"
79 . 1 75 ALA C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -94.66 -34.66 -60.91 -58.97 -60.06 . . 0 "[ . 1 . 2]"
80 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 MET N -80.85 -0.85 -47.81 -39.98 -45.11 . . 0 "[ . 1 . 2]"
81 . 1 76 ARG C 1 77 MET N 1 77 MET CA 1 77 MET C -94.27 -34.27 -74.40 -74.78 -75.47 . . 0 "[ . 1 . 2]"
82 . 1 77 MET N 1 77 MET CA 1 77 MET C 1 78 GLY N -76.56 3.44 -26.12 -57.13 -2.04 . . 0 "[ . 1 . 2]"
83 . 1 77 MET C 1 78 GLY N 1 78 GLY CA 1 78 GLY C -93.96 -33.96 -84.39 -85.52 -92.34 0.34 20 0 "[ . 1 . 2]"
84 . 1 78 GLY N 1 78 GLY CA 1 78 GLY C 1 79 ARG N -64.75 15.25 -11.47 -2.14 -5.33 . . 0 "[ . 1 . 2]"
85 . 1 82 SER C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -123.25 -63.25 -91.38 -123.32 -63.31 0.07 19 0 "[ . 1 . 2]"
86 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 PRO N 95.99 175.99 154.88 166.29 162.47 . . 0 "[ . 1 . 2]"
87 . 1 86 ARG C 1 87 LYS N 1 87 LYS CA 1 87 LYS C -97.34 -37.34 -65.23 -79.45 -47.71 . . 0 "[ . 1 . 2]"
88 . 1 87 LYS N 1 87 LYS CA 1 87 LYS C 1 88 ASN N -70.07 9.93 -40.45 -25.45 -28.30 . . 0 "[ . 1 . 2]"
89 . 1 88 ASN C 1 89 TRP N 1 89 TRP CA 1 89 TRP C -90.48 -30.48 -59.52 -56.27 -57.72 . . 0 "[ . 1 . 2]"
90 . 1 89 TRP N 1 89 TRP CA 1 89 TRP C 1 90 GLU N -71.71 8.29 -35.56 -48.53 -17.56 . . 0 "[ . 1 . 2]"
91 . 1 89 TRP C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -95.79 -35.79 -63.55 -76.18 -53.66 . . 0 "[ . 1 . 2]"
92 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 SER N -74.94 5.06 -28.14 -18.94 -21.95 . . 0 "[ . 1 . 2]"
93 . 1 90 GLU C 1 91 SER N 1 91 SER CA 1 91 SER C -99.85 -39.85 -92.89 -99.60 -99.68 0.17 9 0 "[ . 1 . 2]"
94 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 VAL N -73.63 6.37 -31.44 -40.58 -42.49 . . 0 "[ . 1 . 2]"
95 . 1 91 SER C 1 92 VAL N 1 92 VAL CA 1 92 VAL C -127.86 -67.86 -93.82 -119.24 -67.96 . . 0 "[ . 1 . 2]"
96 . 1 92 VAL N 1 92 VAL CA 1 92 VAL C 1 93 LYS N -45.20 34.80 -2.57 -17.25 7.05 . . 0 "[ . 1 . 2]"
97 . 1 92 VAL C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -89.11 -29.11 -55.04 -55.75 -56.79 . . 0 "[ . 1 . 2]"
98 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 GLU N -78.31 1.69 -50.07 -65.02 -29.59 . . 0 "[ . 1 . 2]"
99 . 1 93 LYS C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -93.44 -33.44 -72.01 -86.75 -61.13 . . 0 "[ . 1 . 2]"
100 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 GLN N -81.07 -1.07 -28.29 -40.62 -5.06 . . 0 "[ . 1 . 2]"
101 . 1 94 GLU C 1 95 GLN N 1 95 GLN CA 1 95 GLN C -93.69 -33.69 -70.84 -63.49 -66.63 . . 0 "[ . 1 . 2]"
102 . 1 95 GLN N 1 95 GLN CA 1 95 GLN C 1 96 VAL N -80.25 -0.25 -47.10 -56.06 -40.68 . . 0 "[ . 1 . 2]"
103 . 1 95 GLN C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -93.46 -33.46 -62.23 -62.72 -63.78 . . 0 "[ . 1 . 2]"
104 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 MET N -82.42 -2.42 -44.31 -49.27 -49.37 . . 0 "[ . 1 . 2]"
105 . 1 96 VAL C 1 97 MET N 1 97 MET CA 1 97 MET C -94.97 -34.97 -62.91 -65.94 -66.20 . . 0 "[ . 1 . 2]"
106 . 1 97 MET N 1 97 MET CA 1 97 MET C 1 98 ARG N -77.87 2.13 -42.38 -54.13 -30.67 . . 0 "[ . 1 . 2]"
107 . 1 97 MET C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -94.32 -34.32 -63.25 -73.50 -56.46 . . 0 "[ . 1 . 2]"
108 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 LYS N -79.85 0.15 -37.75 -33.50 -35.85 . . 0 "[ . 1 . 2]"
109 . 1 98 ARG C 1 99 LYS N 1 99 LYS CA 1 99 LYS C -95.78 -35.78 -67.29 -77.41 -61.79 . . 0 "[ . 1 . 2]"
110 . 1 99 LYS N 1 99 LYS CA 1 99 LYS C 1 100 ALA N -80.56 -0.56 -44.49 -50.53 -35.34 . . 0 "[ . 1 . 2]"
111 . 1 99 LYS C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -93.41 -33.41 -65.01 -71.77 -61.61 . . 0 "[ . 1 . 2]"
112 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 LEU N -79.97 0.03 -43.43 -42.38 -42.86 . . 0 "[ . 1 . 2]"
113 . 1 100 ALA C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -94.52 -34.52 -63.83 -63.90 -64.46 . . 0 "[ . 1 . 2]"
114 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 ARG N -79.59 0.41 -41.02 -49.63 -32.59 . . 0 "[ . 1 . 2]"
115 . 1 101 LEU C 1 102 ARG N 1 102 ARG CA 1 102 ARG C -92.16 -32.16 -60.70 -52.35 -54.17 . . 0 "[ . 1 . 2]"
116 . 1 102 ARG N 1 102 ARG CA 1 102 ARG C 1 103 ALA N -79.56 0.44 -48.16 -53.83 -54.46 . . 0 "[ . 1 . 2]"
117 . 1 102 ARG C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -94.48 -34.48 -61.43 -59.02 -60.44 . . 0 "[ . 1 . 2]"
118 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 LYS N -79.07 0.93 -34.38 -45.30 -24.48 . . 0 "[ . 1 . 2]"
119 . 1 103 ALA C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -95.01 -35.01 -62.82 -63.00 -63.71 . . 0 "[ . 1 . 2]"
120 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 PHE N -82.09 -2.09 -53.05 -52.78 -53.65 . . 0 "[ . 1 . 2]"
121 . 1 104 LYS C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -89.26 -29.26 -80.23 -77.69 -78.38 . . 0 "[ . 1 . 2]"
122 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 GLU N -79.83 0.17 -27.04 -46.48 -0.03 . . 0 "[ . 1 . 2]"
123 . 1 105 PHE C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -95.34 -35.34 -77.42 -92.61 -63.46 . . 0 "[ . 1 . 2]"
124 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 GLN N -75.51 4.49 -36.69 -49.88 -19.25 . . 0 "[ . 1 . 2]"
125 . 1 106 GLU C 1 107 GLN N 1 107 GLN CA 1 107 GLN C -97.09 -37.09 -76.73 -66.81 -69.61 . . 0 "[ . 1 . 2]"
126 . 1 107 GLN N 1 107 GLN CA 1 107 GLN C 1 108 HIS N -64.90 15.10 -29.19 -47.68 -1.36 . . 0 "[ . 1 . 2]"
127 . 1 107 GLN C 1 108 HIS N 1 108 HIS CA 1 108 HIS C -129.18 -69.18 -112.52 -101.96 -108.74 0.06 18 0 "[ . 1 . 2]"
128 . 1 108 HIS N 1 108 HIS CA 1 108 HIS C 1 109 ALA N 88.07 168.07 104.80 96.42 112.23 . . 0 "[ . 1 . 2]"
129 . 1 108 HIS C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -88.74 -28.74 -61.43 -69.50 -53.25 . . 0 "[ . 1 . 2]"
130 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 GLU N -74.56 5.44 -30.42 -27.75 -29.76 . . 0 "[ . 1 . 2]"
131 . 1 109 ALA C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -96.87 -36.87 -59.70 -56.64 -57.05 . . 0 "[ . 1 . 2]"
132 . 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 LEU N -78.39 1.61 -45.96 -60.10 -29.90 . . 0 "[ . 1 . 2]"
133 . 1 110 GLU C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -95.59 -35.59 -73.53 -78.87 -68.72 . . 0 "[ . 1 . 2]"
134 . 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 ARG N -77.83 2.17 -36.12 -34.47 -35.53 . . 0 "[ . 1 . 2]"
135 . 1 111 LEU C 1 112 ARG N 1 112 ARG CA 1 112 ARG C -90.90 -30.90 -58.97 -54.86 -56.92 . . 0 "[ . 1 . 2]"
136 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 ALA N -81.30 -1.30 -47.09 -60.62 -39.16 . . 0 "[ . 1 . 2]"
137 . 1 112 ARG C 1 113 ALA N 1 113 ALA CA 1 113 ALA C -95.15 -35.15 -64.97 -71.16 -60.97 . . 0 "[ . 1 . 2]"
138 . 1 113 ALA N 1 113 ALA CA 1 113 ALA C 1 114 LEU N -77.82 2.18 -39.47 -46.85 -31.69 . . 0 "[ . 1 . 2]"
139 . 1 113 ALA C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -94.26 -34.26 -61.80 -66.27 -57.11 . . 0 "[ . 1 . 2]"
140 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 LEU N -85.31 -5.31 -44.91 -50.92 -37.15 . . 0 "[ . 1 . 2]"
141 . 1 114 LEU C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -94.87 -34.87 -61.88 -63.78 -64.02 . . 0 "[ . 1 . 2]"
142 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 LEU N -78.32 1.68 -45.92 -35.39 -39.61 . . 0 "[ . 1 . 2]"
143 . 1 115 LEU C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -92.97 -32.97 -72.33 -88.55 -63.56 . . 0 "[ . 1 . 2]"
144 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 ALA N -80.92 -0.92 -17.94 -16.55 -18.17 . . 0 "[ . 1 . 2]"
145 . 1 116 LEU C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -100.50 -40.50 -77.98 -86.91 -67.67 . . 0 "[ . 1 . 2]"
146 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 THR N -68.81 11.19 -19.49 -34.73 11.21 0.02 19 0 "[ . 1 . 2]"
147 . 1 117 ALA C 1 118 THR N 1 118 THR CA 1 118 THR C -130.88 -70.88 -79.33 -75.67 -78.72 . . 0 "[ . 1 . 2]"
148 . 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 ALA N -56.38 23.62 -23.19 -35.96 -0.46 . . 0 "[ . 1 . 2]"
149 . 1 120 PRO C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -110.80 -50.80 -74.82 -88.85 -110.98 0.20 1 0 "[ . 1 . 2]"
150 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 LYS N 96.38 176.38 158.61 140.91 176.53 0.15 9 0 "[ . 1 . 2]"
151 . 1 121 ALA C 1 122 LYS N 1 122 LYS CA 1 122 LYS C -132.04 -72.04 -90.87 -108.69 -120.83 . . 0 "[ . 1 . 2]"
152 . 1 122 LYS N 1 122 LYS CA 1 122 LYS C 1 123 LEU N 93.21 173.21 124.47 105.95 146.34 . . 0 "[ . 1 . 2]"
153 . 1 122 LYS C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -128.19 -68.19 -91.14 -81.47 -86.31 . . 0 "[ . 1 . 2]"
154 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 VAL N 86.51 166.51 115.92 100.97 127.40 . . 0 "[ . 1 . 2]"
155 . 1 123 LEU C 1 124 VAL N 1 124 VAL CA 1 124 VAL C -156.59 -96.59 -132.98 -129.61 -130.83 . . 0 "[ . 1 . 2]"
156 . 1 124 VAL N 1 124 VAL CA 1 124 VAL C 1 125 GLU N 94.11 174.11 120.44 106.55 138.09 . . 0 "[ . 1 . 2]"
157 . 1 124 VAL C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -128.45 -68.45 -87.22 -107.26 -74.18 . . 0 "[ . 1 . 2]"
158 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 HIS N 79.81 159.81 126.25 110.62 141.98 . . 0 "[ . 1 . 2]"
159 . 1 125 GLU C 1 126 HIS N 1 126 HIS CA 1 126 HIS C -133.90 -73.90 -100.38 -105.25 -120.04 0.36 16 0 "[ . 1 . 2]"
160 . 1 126 HIS N 1 126 HIS CA 1 126 HIS C 1 127 THR N 77.66 157.66 81.54 77.11 119.47 0.55 15 0 "[ . 1 . 2]"
161 . 1 126 HIS C 1 127 THR N 1 127 THR CA 1 127 THR C -136.72 -76.72 -93.81 -136.95 -77.17 0.23 4 0 "[ . 1 . 2]"
162 . 1 127 THR N 1 127 THR CA 1 127 THR C 1 128 GLU N 86.24 166.24 113.57 86.13 166.45 0.21 14 0 "[ . 1 . 2]"
163 . 1 130 ASP C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -135.31 -75.31 -98.06 -135.64 -75.35 0.33 4 0 "[ . 1 . 2]"
164 . 1 131 ALA N 1 131 ALA CA 1 131 ALA C 1 132 TYR N 86.04 166.04 89.01 85.51 112.79 0.53 20 0 "[ . 1 . 2]"
165 . 1 140 LYS C 1 141 GLY N 1 141 GLY CA 1 141 GLY C 176.51 -123.49 -127.21 -123.42 -123.71 0.62 3 0 "[ . 1 . 2]"
166 . 1 141 GLY N 1 141 GLY CA 1 141 GLY C 1 142 LYS N -64.72 15.28 -9.19 8.62 4.62 0.56 12 0 "[ . 1 . 2]"
167 . 1 142 LYS C 1 143 ASN N 1 143 ASN CA 1 143 ASN C -103.30 -43.30 -68.76 -77.90 -51.54 . . 0 "[ . 1 . 2]"
168 . 1 143 ASN N 1 143 ASN CA 1 143 ASN C 1 144 ARG N -75.09 4.91 5.29 5.16 5.11 0.82 20 0 "[ . 1 . 2]"
169 . 1 143 ASN C 1 144 ARG N 1 144 ARG CA 1 144 ARG C -90.50 -30.50 -51.48 -49.89 -51.84 . . 0 "[ . 1 . 2]"
170 . 1 144 ARG N 1 144 ARG CA 1 144 ARG C 1 145 LEU N -74.93 5.07 -23.78 -38.64 -8.19 . . 0 "[ . 1 . 2]"
171 . 1 144 ARG C 1 145 LEU N 1 145 LEU CA 1 145 LEU C -98.69 -38.69 -61.66 -59.23 -60.57 . . 0 "[ . 1 . 2]"
172 . 1 145 LEU N 1 145 LEU CA 1 145 LEU C 1 146 GLY N -77.44 2.56 -50.87 -49.23 -49.84 . . 0 "[ . 1 . 2]"
173 . 1 145 LEU C 1 146 GLY N 1 146 GLY CA 1 146 GLY C -93.75 -33.75 -63.25 -67.42 -58.92 . . 0 "[ . 1 . 2]"
174 . 1 146 GLY N 1 146 GLY CA 1 146 GLY C 1 147 TYR N -79.30 0.70 -31.56 -39.56 -27.01 . . 0 "[ . 1 . 2]"
175 . 1 146 GLY C 1 147 TYR N 1 147 TYR CA 1 147 TYR C -94.88 -34.88 -67.27 -67.21 -68.78 . . 0 "[ . 1 . 2]"
176 . 1 147 TYR N 1 147 TYR CA 1 147 TYR C 1 148 LEU N -82.52 -2.52 -40.65 -45.81 -36.81 . . 0 "[ . 1 . 2]"
177 . 1 147 TYR C 1 148 LEU N 1 148 LEU CA 1 148 LEU C -93.83 -33.83 -61.61 -69.80 -56.50 . . 0 "[ . 1 . 2]"
178 . 1 148 LEU N 1 148 LEU CA 1 148 LEU C 1 149 LEU N -80.99 -0.99 -41.06 -49.82 -33.92 . . 0 "[ . 1 . 2]"
179 . 1 148 LEU C 1 149 LEU N 1 149 LEU CA 1 149 LEU C -96.14 -36.14 -61.84 -61.87 -63.31 . . 0 "[ . 1 . 2]"
180 . 1 149 LEU N 1 149 LEU CA 1 149 LEU C 1 150 MET N -79.96 0.04 -40.56 -46.86 -31.30 . . 0 "[ . 1 . 2]"
181 . 1 149 LEU C 1 150 MET N 1 150 MET CA 1 150 MET C -94.04 -34.04 -67.24 -77.58 -60.46 . . 0 "[ . 1 . 2]"
182 . 1 150 MET N 1 150 MET CA 1 150 MET C 1 151 GLU N -81.87 -1.87 -43.78 -43.47 -46.53 . . 0 "[ . 1 . 2]"
183 . 1 150 MET C 1 151 GLU N 1 151 GLU CA 1 151 GLU C -90.52 -30.52 -62.73 -70.71 -47.69 . . 0 "[ . 1 . 2]"
184 . 1 151 GLU N 1 151 GLU CA 1 151 GLU C 1 152 LEU N -79.09 0.91 -44.36 -35.62 -35.95 . . 0 "[ . 1 . 2]"
185 . 1 151 GLU C 1 152 LEU N 1 152 LEU CA 1 152 LEU C -94.57 -34.57 -63.50 -61.95 -62.07 . . 0 "[ . 1 . 2]"
186 . 1 152 LEU N 1 152 LEU CA 1 152 LEU C 1 153 ARG N -78.76 1.24 -41.78 -48.42 -34.16 . . 0 "[ . 1 . 2]"
187 . 1 152 LEU C 1 153 ARG N 1 153 ARG CA 1 153 ARG C -92.87 -32.87 -57.18 -53.00 -54.40 . . 0 "[ . 1 . 2]"
188 . 1 153 ARG N 1 153 ARG CA 1 153 ARG C 1 154 GLU N -83.44 -3.44 -45.53 -56.95 -36.11 . . 0 "[ . 1 . 2]"
189 . 1 153 ARG C 1 154 GLU N 1 154 GLU CA 1 154 GLU C -90.39 -30.39 -63.87 -65.30 -67.28 . . 0 "[ . 1 . 2]"
190 . 1 154 GLU N 1 154 GLU CA 1 154 GLU C 1 155 GLN N -81.25 -1.25 -39.54 -52.54 -22.98 . . 0 "[ . 1 . 2]"
191 . 1 154 GLU C 1 155 GLN N 1 155 GLN CA 1 155 GLN C -95.74 -35.74 -65.22 -73.48 -59.53 . . 0 "[ . 1 . 2]"
192 . 1 155 GLN N 1 155 GLN CA 1 155 GLN C 1 156 LEU N -74.89 5.11 -42.57 -40.03 -41.33 . . 0 "[ . 1 . 2]"
193 . 1 155 GLN C 1 156 LEU N 1 156 LEU CA 1 156 LEU C -98.28 -38.28 -70.88 -67.09 -67.27 . . 0 "[ . 1 . 2]"
194 . 1 156 LEU N 1 156 LEU CA 1 156 LEU C 1 157 ALA N -73.31 6.69 -27.77 -25.81 -28.16 . . 0 "[ . 1 . 2]"
195 . 1 156 LEU C 1 157 ALA N 1 157 ALA CA 1 157 ALA C -99.89 -39.89 -68.38 -79.69 -60.80 . . 0 "[ . 1 . 2]"
196 . 1 157 ALA N 1 157 ALA CA 1 157 ALA C 1 158 ILE N -77.35 2.65 -44.30 -38.67 -40.95 . . 0 "[ . 1 . 2]"
197 . 1 157 ALA C 1 158 ILE N 1 158 ILE CA 1 158 ILE C -97.85 -37.85 -63.14 -73.00 -55.78 . . 0 "[ . 1 . 2]"
198 . 1 158 ILE N 1 158 ILE CA 1 158 ILE C 1 159 GLU N -72.31 7.69 -38.36 -40.98 -42.72 . . 0 "[ . 1 . 2]"
199 . 1 158 ILE C 1 159 GLU N 1 159 GLU CA 1 159 GLU C -99.44 -39.44 -60.87 -59.67 -61.20 . . 0 "[ . 1 . 2]"
200 . 1 159 GLU N 1 159 GLU CA 1 159 GLU C 1 160 LYS N -66.44 13.56 -37.74 -53.83 -7.94 . . 0 "[ . 1 . 2]"
201 . 1 159 GLU C 1 160 LYS N 1 160 LYS CA 1 160 LYS C -94.17 -34.17 -76.41 -94.03 -63.88 . . 0 "[ . 1 . 2]"
202 . 1 160 LYS N 1 160 LYS CA 1 160 LYS C 1 161 LEU N -79.53 0.47 -26.52 -26.93 -29.66 . . 0 "[ . 1 . 2]"
203 . 1 160 LYS C 1 161 LEU N 1 161 LEU CA 1 161 LEU C -102.99 -42.99 -71.37 -64.53 -67.32 . . 0 "[ . 1 . 2]"
204 . 1 161 LEU N 1 161 LEU CA 1 161 LEU C 1 162 GLU N -65.80 14.20 -27.55 -46.26 -10.62 . . 0 "[ . 1 . 2]"
205 . 1 161 LEU C 1 162 GLU N 1 162 GLU CA 1 162 GLU C -102.44 -42.44 -76.90 -71.13 -74.64 . . 0 "[ . 1 . 2]"
206 . 1 162 GLU N 1 162 GLU CA 1 162 GLU C 1 163 HIS N -68.69 11.31 -2.30 -58.68 11.72 0.41 5 0 "[ . 1 . 2]"
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