NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555575 |
2lqu   |
18329 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lqu
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 210
_TA_constraint_stats_list.Viol_count 306
_TA_constraint_stats_list.Viol_total 6848.61
_TA_constraint_stats_list.Viol_max 10.85
_TA_constraint_stats_list.Viol_rms 1.14
_TA_constraint_stats_list.Viol_average_all_restraints 0.33
_TA_constraint_stats_list.Viol_average_violations_only 2.24
_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 7 ALA C 1 8 THR N 1 8 THR CA 1 8 THR C -86.00 -50.00 -58.58 -58.26 -61.53 3.80 3 0 "[ . 1]"
2 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 LYS N -53.00 -25.00 -33.83 -45.60 -23.53 1.47 6 0 "[ . 1]"
3 . 1 8 THR C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -71.00 -51.00 -62.95 -63.37 -64.25 1.23 5 0 "[ . 1]"
4 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 ILE N -67.00 -23.00 -44.34 -54.19 -57.27 . . 0 "[ . 1]"
5 . 1 9 LYS C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -85.00 -49.00 -60.47 -60.38 -62.00 . . 0 "[ . 1]"
6 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 ARG N -59.00 -27.00 -38.68 -52.96 -27.95 . . 0 "[ . 1]"
7 . 1 10 ILE C 1 11 ARG N 1 11 ARG CA 1 11 ARG C -78.00 -54.00 -65.24 -63.32 -65.35 . . 0 "[ . 1]"
8 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 LEU N -53.00 -29.00 -41.15 -37.60 -39.46 1.21 6 0 "[ . 1]"
9 . 1 11 ARG C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -81.00 -53.00 -67.56 -68.97 -71.89 . . 0 "[ . 1]"
10 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 GLU N -51.00 -23.00 -39.78 -52.01 -32.86 1.01 5 0 "[ . 1]"
11 . 1 12 LEU C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -76.00 -52.00 -66.29 -76.83 -58.94 0.83 6 0 "[ . 1]"
12 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 ARG N -51.00 -23.00 -47.57 -46.17 -50.24 1.76 10 0 "[ . 1]"
13 . 1 13 GLU C 1 14 ARG N 1 14 ARG CA 1 14 ARG C -76.00 -56.00 -66.47 -66.59 -67.37 . . 0 "[ . 1]"
14 . 1 14 ARG N 1 14 ARG CA 1 14 ARG C 1 15 SER N -49.00 -29.00 -42.80 -45.43 -39.71 . . 0 "[ . 1]"
15 . 1 14 ARG C 1 15 SER N 1 15 SER CA 1 15 SER C -78.00 -54.00 -67.79 -73.49 -62.68 . . 0 "[ . 1]"
16 . 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 ALA N -61.00 -25.00 -32.90 -40.08 -22.76 2.24 3 0 "[ . 1]"
17 . 1 15 SER C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -77.00 -57.00 -72.94 -72.01 -73.69 6.16 6 1 "[ .+ 1]"
18 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 LYS N -48.00 -28.00 -40.97 -49.69 -32.22 1.69 5 0 "[ . 1]"
19 . 1 16 ALA C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -75.00 -55.00 -60.42 -66.36 -54.40 0.60 9 0 "[ . 1]"
20 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 ASP N -52.00 -32.00 -35.05 -35.18 -39.66 1.36 5 0 "[ . 1]"
21 . 1 17 LYS C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -72.00 -52.00 -62.96 -68.36 -50.44 1.56 3 0 "[ . 1]"
22 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 ILE N -51.00 -27.00 -23.81 -27.04 -22.05 4.95 1 0 "[ . 1]"
23 . 1 18 ASP C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -77.00 -57.00 -63.63 -65.89 -59.84 . . 0 "[ . 1]"
24 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 THR N -58.00 -30.00 -52.88 -53.94 -56.15 1.01 9 0 "[ . 1]"
25 . 1 19 ILE C 1 20 THR N 1 20 THR CA 1 20 THR C -74.00 -54.00 -74.98 -76.03 -76.34 2.71 9 0 "[ . 1]"
26 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 ASP N -50.00 -26.00 -37.99 -35.62 -36.03 . . 0 "[ . 1]"
27 . 1 20 THR C 1 21 ASP N 1 21 ASP CA 1 21 ASP C -77.00 -57.00 -63.10 -66.20 -60.26 . . 0 "[ . 1]"
28 . 1 21 ASP N 1 21 ASP CA 1 21 ASP C 1 22 GLU N -51.00 -31.00 -37.75 -41.04 -34.34 . . 0 "[ . 1]"
29 . 1 21 ASP C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -87.00 -51.00 -71.00 -69.10 -70.33 . . 0 "[ . 1]"
30 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 ILE N -58.00 -30.00 -54.54 -53.50 -55.92 0.50 5 0 "[ . 1]"
31 . 1 22 GLU C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -73.00 -53.00 -64.90 -72.18 -58.56 . . 0 "[ . 1]"
32 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 ASP N -59.00 -31.00 -27.41 -31.84 -23.14 7.86 10 1 "[ . +]"
33 . 1 23 ILE C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -73.00 -53.00 -64.39 -63.76 -65.47 . . 0 "[ . 1]"
34 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 ALA N -52.00 -28.00 -38.57 -42.31 -29.45 . . 0 "[ . 1]"
35 . 1 24 ASP C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -75.00 -55.00 -55.90 -53.41 -53.90 2.72 2 0 "[ . 1]"
36 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 ILE N -53.00 -25.00 -26.89 -36.03 -21.18 3.82 8 0 "[ . 1]"
37 . 1 25 ALA C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -82.00 -54.00 -62.82 -67.60 -58.39 . . 0 "[ . 1]"
38 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 LYS N -51.00 -31.00 -46.40 -43.42 -45.76 1.82 6 0 "[ . 1]"
39 . 1 26 ILE C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -71.00 -51.00 -58.64 -56.53 -58.21 . . 0 "[ . 1]"
40 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 LYS N -54.00 -30.00 -37.95 -46.28 -30.19 . . 0 "[ . 1]"
41 . 1 27 LYS C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -74.00 -54.00 -64.56 -64.56 -64.85 . . 0 "[ . 1]"
42 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 ASP N -55.00 -35.00 -43.72 -41.68 -43.73 . . 0 "[ . 1]"
43 . 1 28 LYS C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -83.00 -51.00 -65.98 -62.06 -65.42 . . 0 "[ . 1]"
44 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 ALA N -67.00 -3.00 -37.64 -33.30 -35.34 . . 0 "[ . 1]"
45 . 1 29 ASP C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -75.00 -51.00 -63.25 -72.92 -55.07 . . 0 "[ . 1]"
46 . 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 ALA N -55.00 -31.00 -32.02 -38.81 -28.39 2.61 10 0 "[ . 1]"
47 . 1 30 ALA C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -72.00 -48.00 -58.71 -57.01 -58.06 . . 0 "[ . 1]"
48 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 LEU N -57.00 -29.00 -35.31 -52.67 -25.79 3.21 5 0 "[ . 1]"
49 . 1 53 PRO C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -75.00 -55.00 -69.89 -77.52 -61.03 2.52 7 0 "[ . 1]"
50 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 ILE N -59.00 -31.00 -52.54 -60.02 -46.93 1.02 2 0 "[ . 1]"
51 . 1 54 PHE C 1 55 ILE N 1 55 ILE CA 1 55 ILE C -77.00 -53.00 -71.65 -76.33 -64.17 . . 0 "[ . 1]"
52 . 1 55 ILE N 1 55 ILE CA 1 55 ILE C 1 56 LEU N -56.00 -20.00 -34.60 -32.64 -46.16 . . 0 "[ . 1]"
53 . 1 55 ILE C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -77.00 -49.00 -67.75 -77.01 -52.23 0.01 9 0 "[ . 1]"
54 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 GLU N -58.00 -22.00 -48.88 -55.00 -37.96 . . 0 "[ . 1]"
55 . 1 56 LEU C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -82.00 -50.00 -64.71 -69.31 -62.14 . . 0 "[ . 1]"
56 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ALA N -50.00 -30.00 -29.13 -31.83 -36.00 7.21 7 2 "[ . +- 1]"
57 . 1 57 GLU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -80.00 -52.00 -65.75 -61.55 -63.39 . . 0 "[ . 1]"
58 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 LYS N -54.00 -30.00 -35.41 -34.33 -37.28 10.44 3 1 "[ + . 1]"
59 . 1 58 ALA C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -77.00 -53.00 -62.08 -72.89 -52.53 0.47 1 0 "[ . 1]"
60 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 VAL N -59.00 -7.00 -24.91 -46.34 -18.58 . . 0 "[ . 1]"
61 . 1 59 LYS C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -86.00 -54.00 -74.16 -79.43 -85.51 . . 0 "[ . 1]"
62 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ARG N -53.00 -25.00 -44.74 -46.60 -48.38 . . 0 "[ . 1]"
63 . 1 60 VAL C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -71.00 -51.00 -64.58 -62.96 -64.16 0.14 8 0 "[ . 1]"
64 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 ALA N -54.00 -30.00 -32.77 -38.64 -28.03 1.97 6 0 "[ . 1]"
65 . 1 61 ARG C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -74.00 -50.00 -63.52 -67.32 -70.39 . . 0 "[ . 1]"
66 . 1 62 ALA N 1 62 ALA CA 1 62 ALA C 1 63 THR N -52.00 -28.00 -43.01 -47.90 -37.60 . . 0 "[ . 1]"
67 . 1 62 ALA C 1 63 THR N 1 63 THR CA 1 63 THR C -80.00 -52.00 -74.12 -67.77 -71.18 1.33 3 0 "[ . 1]"
68 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 THR N -58.00 -14.00 -21.19 -27.70 -11.97 2.03 1 0 "[ . 1]"
69 . 1 63 THR C 1 64 THR N 1 64 THR CA 1 64 THR C -75.00 -55.00 -60.98 -64.33 -57.61 . . 0 "[ . 1]"
70 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 VAL N -53.00 -33.00 -53.23 -54.50 -51.18 1.50 7 0 "[ . 1]"
71 . 1 64 THR C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -70.00 -50.00 -72.22 -79.76 -67.92 9.76 7 2 "[ -. + 1]"
72 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 ALA N -57.00 -29.00 -45.35 -50.80 -39.55 . . 0 "[ . 1]"
73 . 1 65 VAL C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -81.00 -53.00 -58.29 -59.17 -61.97 . . 0 "[ . 1]"
74 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 GLU N -50.00 -26.00 -40.41 -49.36 -31.80 . . 0 "[ . 1]"
75 . 1 66 ALA C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -75.00 -51.00 -56.06 -59.75 -50.23 0.77 1 0 "[ . 1]"
76 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 LYS N -59.00 -31.00 -44.47 -47.83 -54.96 . . 0 "[ . 1]"
77 . 1 67 GLU C 1 68 LYS N 1 68 LYS CA 1 68 LYS C -74.00 -50.00 -58.96 -66.51 -52.58 . . 0 "[ . 1]"
78 . 1 68 LYS N 1 68 LYS CA 1 68 LYS C 1 69 PHE N -53.00 -25.00 -34.57 -39.18 -23.37 1.63 5 0 "[ . 1]"
79 . 1 68 LYS C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -77.00 -49.00 -63.79 -74.10 -56.99 . . 0 "[ . 1]"
80 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 VAL N -60.00 -32.00 -47.56 -42.21 -43.59 0.65 3 0 "[ . 1]"
81 . 1 69 PHE C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -72.00 -52.00 -55.14 -59.10 -49.40 2.60 9 0 "[ . 1]"
82 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 ILE N -65.00 -25.00 -44.90 -56.87 -38.30 . . 0 "[ . 1]"
83 . 1 70 VAL C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -73.00 -53.00 -56.18 -61.94 -53.42 . . 0 "[ . 1]"
84 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 ALA N -52.00 -32.00 -39.56 -43.06 -30.71 1.29 6 0 "[ . 1]"
85 . 1 71 ILE C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -73.00 -53.00 -55.12 -60.99 -51.55 1.45 5 0 "[ . 1]"
86 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 ILE N -52.00 -32.00 -39.33 -37.67 -40.77 1.02 9 0 "[ . 1]"
87 . 1 72 ALA C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -80.00 -52.00 -62.37 -65.45 -59.87 . . 0 "[ . 1]"
88 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 GLU N -50.00 -30.00 -42.57 -44.37 -44.86 . . 0 "[ . 1]"
89 . 1 73 ILE C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -72.00 -40.00 -62.34 -61.22 -61.39 . . 0 "[ . 1]"
90 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 GLU N -50.00 -30.00 -46.45 -46.78 -48.57 0.07 1 0 "[ . 1]"
91 . 1 74 GLU C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -79.00 -59.00 -65.04 -59.77 -63.15 . . 0 "[ . 1]"
92 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 GLU N -52.00 -32.00 -40.05 -37.74 -38.98 . . 0 "[ . 1]"
93 . 1 75 GLU C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -76.00 -56.00 -65.48 -71.19 -59.70 . . 0 "[ . 1]"
94 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ALA N -55.00 -27.00 -37.41 -46.67 -28.98 . . 0 "[ . 1]"
95 . 1 76 GLU C 1 77 ALA N 1 77 ALA CA 1 77 ALA C -74.00 -54.00 -59.77 -65.84 -53.27 0.73 9 0 "[ . 1]"
96 . 1 77 ALA N 1 77 ALA CA 1 77 ALA C 1 78 THR N -55.00 -27.00 -38.73 -35.66 -38.07 . . 0 "[ . 1]"
97 . 1 77 ALA C 1 78 THR N 1 78 THR CA 1 78 THR C -74.00 -54.00 -61.50 -64.08 -58.27 . . 0 "[ . 1]"
98 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 LYS N -52.00 -32.00 -45.35 -44.05 -47.62 0.84 5 0 "[ . 1]"
99 . 1 78 THR C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -78.00 -50.00 -67.53 -67.21 -69.32 . . 0 "[ . 1]"
100 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 LEU N -40.00 -12.00 -25.75 -11.13 -16.57 0.87 2 0 "[ . 1]"
101 . 1 86 SER C 1 87 GLY N 1 87 GLY CA 1 87 GLY C -72.00 -52.00 -66.38 -75.52 -59.04 3.52 5 0 "[ . 1]"
102 . 1 87 GLY N 1 87 GLY CA 1 87 GLY C 1 88 GLU N -53.00 -29.00 -35.49 -40.69 -45.45 0.97 6 0 "[ . 1]"
103 . 1 87 GLY C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -88.00 -48.00 -62.19 -62.31 -66.73 . . 0 "[ . 1]"
104 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 PHE N -59.00 -23.00 -38.82 -47.52 -22.62 0.38 9 0 "[ . 1]"
105 . 1 88 GLU C 1 89 PHE N 1 89 PHE CA 1 89 PHE C -73.00 -53.00 -62.67 -65.23 -65.43 . . 0 "[ . 1]"
106 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 SER N -51.00 -27.00 -38.75 -44.91 -26.03 0.97 5 0 "[ . 1]"
107 . 1 89 PHE C 1 90 SER N 1 90 SER CA 1 90 SER C -76.00 -48.00 -54.77 -60.10 -47.31 0.69 8 0 "[ . 1]"
108 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 ALA N -60.00 -28.00 -36.14 -43.44 -30.58 . . 0 "[ . 1]"
109 . 1 90 SER C 1 91 ALA N 1 91 ALA CA 1 91 ALA C -75.00 -55.00 -65.21 -76.44 -57.41 1.44 8 0 "[ . 1]"
110 . 1 91 ALA N 1 91 ALA CA 1 91 ALA C 1 92 MET N -51.00 -31.00 -30.35 -28.31 -28.43 6.92 3 1 "[ + . 1]"
111 . 1 91 ALA C 1 92 MET N 1 92 MET CA 1 92 MET C -74.00 -54.00 -72.93 -77.99 -66.40 3.99 5 0 "[ . 1]"
112 . 1 92 MET N 1 92 MET CA 1 92 MET C 1 93 TYR N -51.00 -27.00 -45.96 -53.66 -40.35 2.66 2 0 "[ . 1]"
113 . 1 92 MET C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -72.00 -52.00 -58.95 -51.26 -58.67 1.85 6 0 "[ . 1]"
114 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 ASP N -53.00 -33.00 -36.68 -50.18 -28.13 4.87 7 0 "[ . 1]"
115 . 1 93 TYR C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -80.00 -52.00 -57.58 -65.60 -47.75 4.25 8 0 "[ . 1]"
116 . 1 94 ASP N 1 94 ASP CA 1 94 ASP C 1 95 LEU N -59.00 -19.00 -37.30 -41.89 -44.71 . . 0 "[ . 1]"
117 . 1 94 ASP C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -79.00 -51.00 -60.11 -64.68 -55.42 . . 0 "[ . 1]"
118 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 MET N -59.00 -19.00 -42.00 -49.30 -38.61 . . 0 "[ . 1]"
119 . 1 95 LEU C 1 96 MET N 1 96 MET CA 1 96 MET C -72.00 -52.00 -57.29 -57.96 -60.46 1.46 3 0 "[ . 1]"
120 . 1 96 MET N 1 96 MET CA 1 96 MET C 1 97 PHE N -54.00 -34.00 -45.58 -50.13 -53.21 1.71 10 0 "[ . 1]"
121 . 1 96 MET C 1 97 PHE N 1 97 PHE CA 1 97 PHE C -74.00 -54.00 -64.52 -59.63 -60.29 3.42 10 0 "[ . 1]"
122 . 1 97 PHE N 1 97 PHE CA 1 97 PHE C 1 98 GLU N -52.00 -28.00 -43.86 -44.30 -46.01 . . 0 "[ . 1]"
123 . 1 97 PHE C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -70.00 -50.00 -58.52 -63.45 -53.98 . . 0 "[ . 1]"
124 . 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 VAL N -56.00 -28.00 -42.94 -35.74 -39.74 . . 0 "[ . 1]"
125 . 1 98 GLU C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -82.00 -54.00 -77.57 -83.45 -71.27 1.45 7 0 "[ . 1]"
126 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 SER N -60.00 8.00 -22.37 -25.86 -16.93 . . 0 "[ . 1]"
127 . 1 99 VAL C 1 100 SER N 1 100 SER CA 1 100 SER C -75.00 -51.00 -70.69 -75.53 -61.55 0.53 2 0 "[ . 1]"
128 . 1 100 SER N 1 100 SER CA 1 100 SER C 1 101 LYS N -52.00 -28.00 -26.74 -33.16 -21.08 6.92 10 1 "[ . +]"
129 . 1 100 SER C 1 101 LYS N 1 101 LYS CA 1 101 LYS C -77.00 -45.00 -65.03 -66.29 -69.58 . . 0 "[ . 1]"
130 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 PRO N -51.00 -31.00 -57.65 -59.31 -55.20 8.31 10 9 [-***.****+]
131 . 1 102 PRO C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -74.00 -54.00 -65.43 -64.65 -67.52 . . 0 "[ . 1]"
132 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 GLN N -55.00 -27.00 -30.93 -43.13 -21.20 5.80 5 2 "[- + 1]"
133 . 1 103 LEU C 1 104 GLN N 1 104 GLN CA 1 104 GLN C -83.00 -43.00 -59.61 -51.50 -57.28 . . 0 "[ . 1]"
134 . 1 104 GLN N 1 104 GLN CA 1 104 GLN C 1 105 LYS N -52.00 -32.00 -44.19 -39.43 -47.05 3.29 10 0 "[ . 1]"
135 . 1 104 GLN C 1 105 LYS N 1 105 LYS CA 1 105 LYS C -75.00 -55.00 -60.08 -69.67 -50.27 4.73 6 0 "[ . 1]"
136 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 LEU N -43.00 -7.00 -17.21 -19.38 -44.37 1.73 1 0 "[ . 1]"
137 . 1 110 GLU C 1 111 MET N 1 111 MET CA 1 111 MET C -81.00 -53.00 -56.73 -52.85 -57.79 1.79 2 0 "[ . 1]"
138 . 1 111 MET N 1 111 MET CA 1 111 MET C 1 112 THR N -62.00 -22.00 -43.20 -48.20 -53.21 . . 0 "[ . 1]"
139 . 1 111 MET C 1 112 THR N 1 112 THR CA 1 112 THR C -73.00 -53.00 -64.19 -75.22 -46.42 6.58 1 1 "[+ . 1]"
140 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 LYS N -55.00 -31.00 -44.23 -65.85 -21.62 10.85 5 6 "[ * +*-**1]"
141 . 1 112 THR C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -82.00 -50.00 -65.75 -51.40 -76.60 8.56 1 2 "[+- . 1]"
142 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 THR N -54.00 -30.00 -46.93 -57.05 -33.57 3.05 4 0 "[ . 1]"
143 . 1 113 LYS C 1 114 THR N 1 114 THR CA 1 114 THR C -71.00 -51.00 -56.67 -59.71 -60.57 . . 0 "[ . 1]"
144 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 VAL N -65.00 -29.00 -55.74 -68.49 -43.35 3.49 7 0 "[ . 1]"
145 . 1 114 THR C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -73.00 -53.00 -62.74 -64.03 -65.55 . . 0 "[ . 1]"
146 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 SER N -54.00 -34.00 -39.59 -44.77 -33.38 0.62 5 0 "[ . 1]"
147 . 1 115 VAL C 1 116 SER N 1 116 SER CA 1 116 SER C -77.00 -53.00 -66.92 -65.34 -71.31 . . 0 "[ . 1]"
148 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 ASP N -53.00 -25.00 -36.63 -42.19 -31.93 . . 0 "[ . 1]"
149 . 1 116 SER C 1 117 ASP N 1 117 ASP CA 1 117 ASP C -78.00 -54.00 -65.47 -70.78 -60.53 . . 0 "[ . 1]"
150 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C 1 118 ALA N -52.00 -32.00 -31.95 -42.10 -27.60 4.40 5 0 "[ . 1]"
151 . 1 117 ASP C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -74.00 -54.00 -67.04 -71.43 -73.11 0.97 10 0 "[ . 1]"
152 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 ALA N -48.00 -28.00 -34.79 -51.28 -24.91 3.28 3 0 "[ . 1]"
153 . 1 118 ALA C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -75.00 -47.00 -59.81 -75.07 -41.29 5.71 3 1 "[ + . 1]"
154 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 GLU N -50.00 -30.00 -32.33 -31.18 -33.39 1.09 6 0 "[ . 1]"
155 . 1 126 THR C 1 127 ALA N 1 127 ALA CA 1 127 ALA C -74.00 -50.00 -60.80 -68.42 -49.47 0.53 9 0 "[ . 1]"
156 . 1 127 ALA N 1 127 ALA CA 1 127 ALA C 1 128 GLN N -51.00 -27.00 -39.56 -47.72 -28.91 . . 0 "[ . 1]"
157 . 1 127 ALA C 1 128 GLN N 1 128 GLN CA 1 128 GLN C -78.00 -54.00 -68.27 -77.74 -62.76 . . 0 "[ . 1]"
158 . 1 128 GLN N 1 128 GLN CA 1 128 GLN C 1 129 GLY N -50.00 -26.00 -35.15 -45.14 -24.52 1.48 1 0 "[ . 1]"
159 . 1 128 GLN C 1 129 GLY N 1 129 GLY CA 1 129 GLY C -76.00 -52.00 -60.76 -63.77 -67.33 . . 0 "[ . 1]"
160 . 1 129 GLY N 1 129 GLY CA 1 129 GLY C 1 130 VAL N -54.00 -34.00 -41.49 -51.42 -33.71 0.29 3 0 "[ . 1]"
161 . 1 129 GLY C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -74.00 -54.00 -63.08 -65.77 -67.67 0.49 8 0 "[ . 1]"
162 . 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 LEU N -51.00 -27.00 -35.13 -26.48 -32.26 2.31 4 0 "[ . 1]"
163 . 1 132 GLU C 1 133 ILE N 1 133 ILE CA 1 133 ILE C -74.00 -54.00 -66.08 -54.31 -60.38 3.82 7 0 "[ . 1]"
164 . 1 133 ILE N 1 133 ILE CA 1 133 ILE C 1 134 ALA N -62.00 -18.00 -43.53 -56.06 -35.74 . . 0 "[ . 1]"
165 . 1 133 ILE C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -71.00 -51.00 -54.40 -50.32 -50.80 1.54 5 0 "[ . 1]"
166 . 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 LYS N -53.00 -29.00 -46.16 -50.02 -51.46 . . 0 "[ . 1]"
167 . 1 134 ALA C 1 135 LYS N 1 135 LYS CA 1 135 LYS C -77.00 -53.00 -60.68 -64.91 -55.67 . . 0 "[ . 1]"
168 . 1 135 LYS N 1 135 LYS CA 1 135 LYS C 1 136 LYS N -56.00 -32.00 -43.62 -37.28 -40.96 0.63 8 0 "[ . 1]"
169 . 1 135 LYS C 1 136 LYS N 1 136 LYS CA 1 136 LYS C -82.00 -50.00 -66.46 -73.77 -57.96 . . 0 "[ . 1]"
170 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 MET N -58.00 -14.00 -31.23 -36.49 -27.56 . . 0 "[ . 1]"
171 . 1 136 LYS C 1 137 MET N 1 137 MET CA 1 137 MET C -75.00 -55.00 -69.43 -67.89 -70.98 . . 0 "[ . 1]"
172 . 1 137 MET N 1 137 MET CA 1 137 MET C 1 138 ARG N -51.00 -31.00 -51.86 -47.89 -50.95 6.40 8 1 "[ . + 1]"
173 . 1 137 MET C 1 138 ARG N 1 138 ARG CA 1 138 ARG C -71.00 -51.00 -65.61 -68.71 -61.99 . . 0 "[ . 1]"
174 . 1 138 ARG N 1 138 ARG CA 1 138 ARG C 1 139 GLU N -55.00 -35.00 -35.85 -37.47 -41.30 3.76 6 0 "[ . 1]"
175 . 1 138 ARG C 1 139 GLU N 1 139 GLU CA 1 139 GLU C -78.00 -50.00 -64.15 -71.25 -57.80 . . 0 "[ . 1]"
176 . 1 139 GLU N 1 139 GLU CA 1 139 GLU C 1 140 LYS N -59.00 -23.00 -46.38 -42.73 -46.34 2.31 6 0 "[ . 1]"
177 . 1 139 GLU C 1 140 LYS N 1 140 LYS CA 1 140 LYS C -79.00 -55.00 -66.68 -83.11 -57.03 4.11 2 0 "[ . 1]"
178 . 1 140 LYS N 1 140 LYS CA 1 140 LYS C 1 141 LEU N -55.00 -27.00 -43.80 -42.74 -52.28 1.50 8 0 "[ . 1]"
179 . 1 140 LYS C 1 141 LEU N 1 141 LEU CA 1 141 LEU C -81.00 -49.00 -61.86 -70.28 -47.81 1.19 1 0 "[ . 1]"
180 . 1 141 LEU N 1 141 LEU CA 1 141 LEU C 1 142 GLN N -53.00 -29.00 -32.58 -32.45 -36.08 2.67 4 0 "[ . 1]"
181 . 1 141 LEU C 1 142 GLN N 1 142 GLN CA 1 142 GLN C -73.00 -53.00 -65.52 -67.21 -68.93 . . 0 "[ . 1]"
182 . 1 142 GLN N 1 142 GLN CA 1 142 GLN C 1 143 ARG N -58.00 -26.00 -36.98 -47.82 -27.62 . . 0 "[ . 1]"
183 . 1 142 GLN C 1 143 ARG N 1 143 ARG CA 1 143 ARG C -74.00 -54.00 -63.26 -66.66 -55.02 . . 0 "[ . 1]"
184 . 1 143 ARG N 1 143 ARG CA 1 143 ARG C 1 144 VAL N -60.00 -24.00 -31.70 -40.96 -22.67 1.33 1 0 "[ . 1]"
185 . 1 143 ARG C 1 144 VAL N 1 144 VAL CA 1 144 VAL C -77.00 -57.00 -68.07 -75.17 -60.47 . . 0 "[ . 1]"
186 . 1 144 VAL N 1 144 VAL CA 1 144 VAL C 1 145 HIS N -53.00 -33.00 -43.85 -47.44 -34.27 . . 0 "[ . 1]"
187 . 1 144 VAL C 1 145 HIS N 1 145 HIS CA 1 145 HIS C -78.00 -54.00 -78.50 -80.01 -76.92 2.01 5 0 "[ . 1]"
188 . 1 145 HIS N 1 145 HIS CA 1 145 HIS C 1 146 THR N -57.00 -25.00 -30.87 -41.66 -22.26 2.74 1 0 "[ . 1]"
189 . 1 145 HIS C 1 146 THR N 1 146 THR CA 1 146 THR C -73.00 -53.00 -70.31 -73.20 -66.35 0.20 10 0 "[ . 1]"
190 . 1 146 THR N 1 146 THR CA 1 146 THR C 1 147 LYS N -55.00 -31.00 -46.47 -46.68 -47.03 . . 0 "[ . 1]"
191 . 1 146 THR C 1 147 LYS N 1 147 LYS CA 1 147 LYS C -74.00 -50.00 -61.60 -62.01 -63.73 . . 0 "[ . 1]"
192 . 1 147 LYS N 1 147 LYS CA 1 147 LYS C 1 148 ASN N -48.00 -24.00 -44.53 -45.39 -47.09 0.19 3 0 "[ . 1]"
193 . 1 147 LYS C 1 148 ASN N 1 148 ASN CA 1 148 ASN C -75.00 -55.00 -67.08 -62.35 -64.29 . . 0 "[ . 1]"
194 . 1 148 ASN N 1 148 ASN CA 1 148 ASN C 1 149 TYR N -52.00 -32.00 -35.54 -36.82 -39.63 1.12 2 0 "[ . 1]"
195 . 1 148 ASN C 1 149 TYR N 1 149 TYR CA 1 149 TYR C -75.00 -55.00 -70.01 -75.18 -62.93 0.18 10 0 "[ . 1]"
196 . 1 149 TYR N 1 149 TYR CA 1 149 TYR C 1 150 CYS N -56.00 -16.00 -36.98 -35.29 -38.60 . . 0 "[ . 1]"
197 . 1 149 TYR C 1 150 CYS N 1 150 CYS CA 1 150 CYS C -79.00 -47.00 -73.98 -76.61 -78.06 . . 0 "[ . 1]"
198 . 1 150 CYS N 1 150 CYS CA 1 150 CYS C 1 151 THR N -52.00 -24.00 -36.28 -34.55 -37.63 0.95 7 0 "[ . 1]"
199 . 1 150 CYS C 1 151 THR N 1 151 THR CA 1 151 THR C -73.00 -49.00 -63.99 -73.06 -58.20 0.06 3 0 "[ . 1]"
200 . 1 151 THR N 1 151 THR CA 1 151 THR C 1 152 LEU N -49.00 -25.00 -42.26 -48.89 -34.70 . . 0 "[ . 1]"
201 . 1 151 THR C 1 152 LEU N 1 152 LEU CA 1 152 LEU C -76.00 -52.00 -66.47 -77.72 -63.11 1.72 10 0 "[ . 1]"
202 . 1 152 LEU N 1 152 LEU CA 1 152 LEU C 1 153 LYS N -57.00 -33.00 -36.96 -53.10 -31.71 1.29 1 0 "[ . 1]"
203 . 1 152 LEU C 1 153 LYS N 1 153 LYS CA 1 153 LYS C -75.00 -55.00 -63.21 -58.84 -62.40 3.01 5 0 "[ . 1]"
204 . 1 153 LYS N 1 153 LYS CA 1 153 LYS C 1 154 LYS N -58.00 -2.00 -14.53 -30.79 -2.85 . . 0 "[ . 1]"
205 . 1 153 LYS C 1 154 LYS N 1 154 LYS CA 1 154 LYS C -87.00 -43.00 -60.91 -55.48 -58.81 . . 0 "[ . 1]"
206 . 1 154 LYS N 1 154 LYS CA 1 154 LYS C 1 155 LYS N -61.00 -13.00 -29.44 -28.84 -30.15 . . 0 "[ . 1]"
207 . 1 154 LYS C 1 155 LYS N 1 155 LYS CA 1 155 LYS C -80.00 -52.00 -68.95 -60.73 -63.54 1.23 10 0 "[ . 1]"
208 . 1 155 LYS N 1 155 LYS CA 1 155 LYS C 1 156 GLU N -55.00 -15.00 -39.10 -44.28 -44.86 . . 0 "[ . 1]"
209 . 1 155 LYS C 1 156 GLU N 1 156 GLU CA 1 156 GLU C -98.00 -50.00 -61.65 -66.20 -70.12 . . 0 "[ . 1]"
210 . 1 156 GLU N 1 156 GLU CA 1 156 GLU C 1 157 ASN N -44.00 -8.00 -43.13 -37.11 -41.66 6.97 9 1 "[ . +1]"
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