NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485070 |
2jxu   |
15574 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jxu
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 212
_TA_constraint_stats_list.Viol_count 1715
_TA_constraint_stats_list.Viol_total 156211.36
_TA_constraint_stats_list.Viol_max 114.47
_TA_constraint_stats_list.Viol_rms 9.42
_TA_constraint_stats_list.Viol_average_all_restraints 1.84
_TA_constraint_stats_list.Viol_average_violations_only 4.55
_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 12 THR C 1 13 SER N 1 13 SER CA 1 13 SER C -111.70 -29.90 -58.58 -62.26 -54.82 . . 0 "[ . 1 . 2]"
2 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 GLY N -67.50 7.70 10.08 9.72 9.64 3.50 16 0 "[ . 1 . 2]"
3 . 1 13 SER C 1 14 GLY N 1 14 GLY CA 1 14 GLY C -89.00 -47.80 -45.92 -46.00 -46.25 2.87 16 0 "[ . 1 . 2]"
4 . 1 14 GLY N 1 14 GLY CA 1 14 GLY C 1 15 ARG N -53.70 -31.50 -31.32 -30.60 -30.71 1.81 6 0 "[ . 1 . 2]"
5 . 1 14 GLY C 1 15 ARG N 1 15 ARG CA 1 15 ARG C -71.30 -46.30 -61.43 -61.32 -61.41 0.21 15 0 "[ . 1 . 2]"
6 . 1 15 ARG N 1 15 ARG CA 1 15 ARG C 1 16 GLU N -61.70 -11.90 -60.79 -62.74 -56.88 1.04 16 0 "[ . 1 . 2]"
7 . 1 15 ARG C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -82.40 -50.20 -82.65 -83.67 -79.91 1.27 6 0 "[ . 1 . 2]"
8 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 GLU N -65.50 -15.10 -39.68 -55.26 -28.23 . . 0 "[ . 1 . 2]"
9 . 1 16 GLU C 1 17 GLU N 1 17 GLU CA 1 17 GLU C -84.50 -51.90 -69.92 -51.69 -68.83 0.45 5 0 "[ . 1 . 2]"
10 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 LEU N -51.90 -30.10 -51.11 -52.43 -48.42 0.53 10 0 "[ . 1 . 2]"
11 . 1 17 GLU C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -77.10 -50.50 -76.58 -78.00 -66.09 0.90 2 0 "[ . 1 . 2]"
12 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 THR N -51.60 -28.40 -35.17 -42.93 -28.12 0.28 1 0 "[ . 1 . 2]"
13 . 1 18 LEU C 1 19 THR N 1 19 THR CA 1 19 THR C -84.00 -47.00 -71.07 -74.18 -76.29 . . 0 "[ . 1 . 2]"
14 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 ARG N -52.50 -29.50 -54.69 -54.81 -54.99 2.74 20 0 "[ . 1 . 2]"
15 . 1 19 THR C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -73.70 -52.90 -53.31 -52.25 -52.59 1.23 5 0 "[ . 1 . 2]"
16 . 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 GLN N -51.80 -29.80 -35.20 -35.21 -35.40 0.62 16 0 "[ . 1 . 2]"
17 . 1 20 ARG C 1 21 GLN N 1 21 GLN CA 1 21 GLN C -78.20 -58.20 -73.21 -78.72 -63.17 0.52 2 0 "[ . 1 . 2]"
18 . 1 21 GLN N 1 21 GLN CA 1 21 GLN C 1 22 VAL N -56.10 -21.50 -19.61 -20.04 -20.49 3.59 10 0 "[ . 1 . 2]"
19 . 1 21 GLN C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -92.40 -48.60 -45.99 -47.21 -44.29 4.31 7 0 "[ . 1 . 2]"
20 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 GLY N -53.00 -32.40 -31.78 -32.40 -31.25 1.15 17 0 "[ . 1 . 2]"
21 . 1 22 VAL C 1 23 GLY N 1 23 GLY CA 1 23 GLY C -82.80 -51.00 -58.30 -66.95 -50.08 0.92 6 0 "[ . 1 . 2]"
22 . 1 23 GLY N 1 23 GLY CA 1 23 GLY C 1 24 ARG N -66.70 6.90 -6.27 -18.70 9.52 2.62 10 0 "[ . 1 . 2]"
23 . 1 27 ASN C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -76.90 -48.50 -126.85 -140.76 -77.61 63.86 4 19 "[ **+*-**************]"
24 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 LYS N -53.10 -15.70 -39.58 -46.01 -13.79 1.91 7 0 "[ . 1 . 2]"
25 . 1 28 LYS C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -76.10 -56.10 -70.03 -72.61 -66.33 . . 0 "[ . 1 . 2]"
26 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 PHE N -49.50 -22.90 -5.13 -7.82 -20.65 23.04 3 19 "[ *+**-**************]"
27 . 1 29 LYS C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -80.70 -51.70 -67.25 -71.04 -52.39 . . 0 "[ . 1 . 2]"
28 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 MET N -61.40 -25.00 -74.79 -75.15 -75.31 14.18 7 20 [******+*-***********]
29 . 1 30 PHE C 1 31 MET N 1 31 MET CA 1 31 MET C -73.50 -53.50 -80.94 -81.32 -81.55 8.05 1 20 [+********-**********]
30 . 1 31 MET N 1 31 MET CA 1 31 MET C 1 32 GLN N -55.20 -35.20 -47.46 -48.06 -48.63 . . 0 "[ . 1 . 2]"
31 . 1 31 MET C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -72.20 -52.20 -73.08 -74.15 -72.22 1.95 3 0 "[ . 1 . 2]"
32 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 GLY N -54.00 -31.00 -29.53 -29.97 -30.26 2.91 9 0 "[ . 1 . 2]"
33 . 1 32 GLN C 1 33 GLY N 1 33 GLY CA 1 33 GLY C -76.10 -56.10 -70.61 -69.70 -70.18 . . 0 "[ . 1 . 2]"
34 . 1 33 GLY N 1 33 GLY CA 1 33 GLY C 1 34 THR N -50.60 -29.00 -45.66 -50.75 -50.89 0.85 15 0 "[ . 1 . 2]"
35 . 1 33 GLY C 1 34 THR N 1 34 THR CA 1 34 THR C -74.90 -54.90 -63.10 -74.45 -55.12 . . 0 "[ . 1 . 2]"
36 . 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 VAL N -60.20 -21.80 -25.11 -21.70 -22.93 0.94 16 0 "[ . 1 . 2]"
37 . 1 34 THR C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -75.60 -55.60 -74.66 -76.35 -69.13 0.75 20 0 "[ . 1 . 2]"
38 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 ALA N -60.10 -31.70 -53.77 -60.32 -46.58 0.22 11 0 "[ . 1 . 2]"
39 . 1 35 VAL C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -79.20 -46.00 -46.70 -50.45 -45.44 0.56 13 0 "[ . 1 . 2]"
40 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 VAL N -54.80 -20.40 -51.78 -51.55 -52.08 1.55 10 0 "[ . 1 . 2]"
41 . 1 36 ALA C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -75.50 -55.50 -55.10 -54.90 -54.99 1.82 14 0 "[ . 1 . 2]"
42 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 CYS N -55.00 -34.60 -40.05 -43.62 -36.34 . . 0 "[ . 1 . 2]"
43 . 1 37 VAL C 1 38 CYS N 1 38 CYS CA 1 38 CYS C -72.30 -52.30 -52.64 -52.29 -52.54 0.68 3 0 "[ . 1 . 2]"
44 . 1 38 CYS N 1 38 CYS CA 1 38 CYS C 1 39 ALA N -53.20 -28.80 -30.82 -31.91 -33.18 0.58 12 0 "[ . 1 . 2]"
45 . 1 38 CYS C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -75.40 -51.80 -79.17 -79.85 -78.23 4.45 15 0 "[ . 1 . 2]"
46 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 ARG N -61.40 -20.80 -49.70 -52.12 -45.66 . . 0 "[ . 1 . 2]"
47 . 1 39 ALA C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -100.50 -42.70 -40.49 -40.42 -40.51 2.89 15 0 "[ . 1 . 2]"
48 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 ILE N -55.00 -26.80 -41.79 -45.36 -37.26 . . 0 "[ . 1 . 2]"
49 . 1 40 ARG C 1 41 ILE N 1 41 ILE CA 1 41 ILE C -89.40 -37.00 -91.35 -92.12 -89.82 2.72 9 0 "[ . 1 . 2]"
50 . 1 41 ILE N 1 41 ILE CA 1 41 ILE C 1 42 ALA N -64.40 -17.20 -21.90 -23.10 -23.44 . . 0 "[ . 1 . 2]"
51 . 1 41 ILE C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -87.70 -50.30 -88.62 -88.62 -88.91 1.91 17 0 "[ . 1 . 2]"
52 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 VAL N -44.30 -3.50 -1.43 -1.60 -1.67 2.88 13 0 "[ . 1 . 2]"
53 . 1 42 ALA C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -88.90 -31.10 -30.84 -32.48 -28.16 2.94 5 0 "[ . 1 . 2]"
54 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 ALA N -54.10 -25.90 -34.69 -53.39 -29.33 . . 0 "[ . 1 . 2]"
55 . 1 50 SER C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -70.90 -47.30 -71.69 -71.59 -71.64 1.08 13 0 "[ . 1 . 2]"
56 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 GLU N -49.80 -22.00 -32.58 -29.23 -31.83 . . 0 "[ . 1 . 2]"
57 . 1 51 GLU C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -70.90 -47.30 -70.89 -71.40 -71.45 0.88 11 0 "[ . 1 . 2]"
58 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 LYS N -49.80 -22.00 -51.73 -52.28 -51.23 2.48 2 0 "[ . 1 . 2]"
59 . 1 52 GLU C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -80.90 -46.70 -57.29 -56.99 -57.44 . . 0 "[ . 1 . 2]"
60 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 GLN N -54.00 -34.00 -42.69 -49.65 -35.11 . . 0 "[ . 1 . 2]"
61 . 1 53 LYS C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -74.20 -53.00 -53.54 -52.42 -52.53 1.04 10 0 "[ . 1 . 2]"
62 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 LYS N -48.90 -25.90 -42.00 -39.40 -40.68 . . 0 "[ . 1 . 2]"
63 . 1 54 GLN C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -76.60 -51.80 -60.69 -67.13 -53.01 . . 0 "[ . 1 . 2]"
64 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 MET N -50.50 -27.90 -45.47 -50.56 -38.70 0.06 3 0 "[ . 1 . 2]"
65 . 1 55 LYS C 1 56 MET N 1 56 MET CA 1 56 MET C -74.10 -54.10 -52.85 -53.04 -53.18 1.90 11 0 "[ . 1 . 2]"
66 . 1 56 MET N 1 56 MET CA 1 56 MET C 1 57 ILE N -52.30 -31.10 -40.82 -48.33 -30.96 0.14 19 0 "[ . 1 . 2]"
67 . 1 56 MET C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -78.90 -51.10 -55.88 -70.04 -50.62 0.48 3 0 "[ . 1 . 2]"
68 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 GLY N -53.40 -33.40 -42.12 -48.93 -36.12 . . 0 "[ . 1 . 2]"
69 . 1 57 ILE C 1 58 GLY N 1 58 GLY CA 1 58 GLY C -73.30 -53.30 -58.07 -56.64 -58.07 0.16 9 0 "[ . 1 . 2]"
70 . 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 PHE N -50.80 -27.00 -43.91 -46.50 -41.35 . . 0 "[ . 1 . 2]"
71 . 1 58 GLY C 1 59 PHE N 1 59 PHE CA 1 59 PHE C -76.00 -56.00 -55.23 -55.66 -54.41 1.59 12 0 "[ . 1 . 2]"
72 . 1 59 PHE N 1 59 PHE CA 1 59 PHE C 1 60 LEU N -61.00 -16.60 -39.68 -40.08 -40.71 . . 0 "[ . 1 . 2]"
73 . 1 59 PHE C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -70.20 -50.20 -53.04 -57.30 -50.19 0.01 1 0 "[ . 1 . 2]"
74 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ARG N -50.10 -30.10 -45.87 -47.08 -48.71 0.09 1 0 "[ . 1 . 2]"
75 . 1 60 LEU C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -77.00 -50.20 -49.53 -53.08 -47.93 2.27 12 0 "[ . 1 . 2]"
76 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 SER N -65.80 -9.00 -36.64 -40.54 -33.70 . . 0 "[ . 1 . 2]"
77 . 1 61 ARG C 1 62 SER N 1 62 SER CA 1 62 SER C -111.70 -52.90 -112.94 -113.75 -112.33 2.05 2 0 "[ . 1 . 2]"
78 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 SER N -73.40 6.20 6.29 6.75 6.64 1.08 9 0 "[ . 1 . 2]"
79 . 1 62 SER C 1 63 SER N 1 63 SER CA 1 63 SER C -150.50 -32.50 -44.15 -45.31 -45.96 . . 0 "[ . 1 . 2]"
80 . 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 GLU N 65.60 179.00 178.79 166.96 -178.91 2.09 10 0 "[ . 1 . 2]"
81 . 1 63 SER C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -68.90 -48.90 -63.63 -68.84 -51.77 . . 0 "[ . 1 . 2]"
82 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 GLU N -50.00 -11.40 -16.43 -17.52 -18.31 0.07 16 0 "[ . 1 . 2]"
83 . 1 64 GLU C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -92.00 -43.40 -43.55 -43.33 -43.42 1.32 4 0 "[ . 1 . 2]"
84 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 LEU N -47.20 -9.60 -14.01 -17.44 -9.28 0.32 7 0 "[ . 1 . 2]"
85 . 1 65 GLU C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -102.00 -49.20 -49.49 -60.81 -47.73 1.47 6 0 "[ . 1 . 2]"
86 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 LYS N -57.60 11.40 -27.53 -31.53 -34.77 . . 0 "[ . 1 . 2]"
87 . 1 66 LEU C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -84.30 -43.70 -76.80 -84.76 -68.33 0.46 16 0 "[ . 1 . 2]"
88 . 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 VAL N -53.30 -19.70 -48.28 -53.48 -25.78 0.18 2 0 "[ . 1 . 2]"
89 . 1 69 PHE C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -97.70 -49.30 -47.32 -47.27 -47.37 2.44 7 0 "[ . 1 . 2]"
90 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 THR N 75.00 153.20 86.41 85.35 84.81 . . 0 "[ . 1 . 2]"
91 . 1 70 ASP C 1 71 THR N 1 71 THR CA 1 71 THR C -78.00 -44.20 -65.38 -70.83 -58.33 . . 0 "[ . 1 . 2]"
92 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 ALA N -64.80 -23.20 -33.90 -34.52 -34.97 . . 0 "[ . 1 . 2]"
93 . 1 71 THR C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -79.20 -49.20 -60.96 -66.21 -56.49 . . 0 "[ . 1 . 2]"
94 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 GLU N -51.50 -19.50 -31.47 -28.13 -28.58 . . 0 "[ . 1 . 2]"
95 . 1 72 ALA C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -83.60 -51.20 -71.94 -76.90 -51.20 . . 0 "[ . 1 . 2]"
96 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 VAL N -54.90 -19.90 -36.78 -45.14 -31.15 . . 0 "[ . 1 . 2]"
97 . 1 73 GLU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -74.20 -54.20 -65.69 -73.10 -58.55 . . 0 "[ . 1 . 2]"
98 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ILE N -65.00 -19.40 -63.50 -62.31 -62.85 0.68 5 0 "[ . 1 . 2]"
99 . 1 74 VAL C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -72.60 -52.60 -52.45 -54.09 -51.84 0.76 7 0 "[ . 1 . 2]"
100 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 GLU N -57.50 -25.30 -23.78 -24.24 -24.65 2.82 5 0 "[ . 1 . 2]"
101 . 1 75 ILE C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -78.10 -47.70 -59.94 -62.97 -56.10 . . 0 "[ . 1 . 2]"
102 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 PHE N -50.00 -30.00 -42.52 -45.14 -39.96 . . 0 "[ . 1 . 2]"
103 . 1 76 GLU C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -80.20 -49.40 -71.18 -72.34 -72.79 . . 0 "[ . 1 . 2]"
104 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 PHE N -57.30 -26.70 -59.81 -60.56 -59.25 3.26 19 0 "[ . 1 . 2]"
105 . 1 77 PHE C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -74.60 -50.40 -59.13 -60.56 -60.59 . . 0 "[ . 1 . 2]"
106 . 1 78 PHE N 1 78 PHE CA 1 78 PHE C 1 79 ASN N -57.70 -32.10 -44.96 -43.64 -44.75 . . 0 "[ . 1 . 2]"
107 . 1 78 PHE C 1 79 ASN N 1 79 ASN CA 1 79 ASN C -72.30 -52.30 -51.77 -62.73 -50.13 2.17 14 0 "[ . 1 . 2]"
108 . 1 79 ASN N 1 79 ASN CA 1 79 ASN C 1 80 LYS N -54.50 -19.10 -50.22 -55.76 -35.25 1.26 17 0 "[ . 1 . 2]"
109 . 1 79 ASN C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -80.00 -56.00 -65.51 -69.96 -70.76 . . 0 "[ . 1 . 2]"
110 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 LEU N -51.10 -30.30 -34.41 -36.53 -38.99 . . 0 "[ . 1 . 2]"
111 . 1 80 LYS C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -74.30 -54.30 -67.62 -70.76 -62.43 . . 0 "[ . 1 . 2]"
112 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 VAL N -53.90 -26.50 -52.12 -55.86 -39.96 1.96 5 0 "[ . 1 . 2]"
113 . 1 81 LEU C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -73.50 -53.50 -65.13 -68.29 -73.62 1.22 1 0 "[ . 1 . 2]"
114 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 THR N -51.20 -31.20 -46.69 -48.36 -50.17 0.99 9 0 "[ . 1 . 2]"
115 . 1 82 VAL C 1 83 THR N 1 83 THR CA 1 83 THR C -79.00 -50.80 -78.81 -80.68 -71.57 1.68 10 0 "[ . 1 . 2]"
116 . 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 SER N -55.10 -24.50 -44.64 -47.43 -39.64 . . 0 "[ . 1 . 2]"
117 . 1 83 THR C 1 84 SER N 1 84 SER CA 1 84 SER C -76.20 -53.40 -77.06 -77.60 -76.49 1.40 8 0 "[ . 1 . 2]"
118 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 PHE N -54.10 -23.10 -30.28 -40.54 -22.65 0.45 17 0 "[ . 1 . 2]"
119 . 1 84 SER C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -110.60 -29.40 -61.75 -69.66 -70.72 . . 0 "[ . 1 . 2]"
120 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 ASP N -61.60 3.80 5.94 5.44 6.25 2.45 15 0 "[ . 1 . 2]"
121 . 1 88 ASP C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -67.70 -46.10 -59.71 -63.32 -55.02 . . 0 "[ . 1 . 2]"
122 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 GLU N -70.40 -16.60 -53.28 -64.52 -48.79 . . 0 "[ . 1 . 2]"
123 . 1 89 LEU C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -78.30 -51.30 -78.06 -76.11 -78.36 1.93 5 0 "[ . 1 . 2]"
124 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 ILE N -50.00 -18.20 -47.93 -45.80 -47.20 0.20 4 0 "[ . 1 . 2]"
125 . 1 90 GLU C 1 91 ILE N 1 91 ILE CA 1 91 ILE C -79.40 -55.80 -76.47 -80.18 -72.97 0.78 17 0 "[ . 1 . 2]"
126 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 GLY N -51.50 -27.90 -30.42 -33.44 -27.86 0.04 9 0 "[ . 1 . 2]"
127 . 1 91 ILE C 1 92 GLY N 1 92 GLY CA 1 92 GLY C -72.80 -52.60 -58.19 -57.26 -57.61 . . 0 "[ . 1 . 2]"
128 . 1 92 GLY N 1 92 GLY CA 1 92 GLY C 1 93 LYS N -52.60 -29.40 -52.96 -53.34 -53.40 1.45 20 0 "[ . 1 . 2]"
129 . 1 92 GLY C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -77.00 -49.60 -76.92 -76.41 -76.73 0.83 3 0 "[ . 1 . 2]"
130 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 GLY N -62.20 -16.80 -17.75 -17.10 -17.43 0.88 18 0 "[ . 1 . 2]"
131 . 1 93 LYS C 1 94 GLY N 1 94 GLY CA 1 94 GLY C -74.80 -54.80 -66.21 -69.51 -63.10 . . 0 "[ . 1 . 2]"
132 . 1 94 GLY N 1 94 GLY CA 1 94 GLY C 1 95 GLU N -52.60 -26.00 -50.84 -52.86 -46.61 0.26 15 0 "[ . 1 . 2]"
133 . 1 94 GLY C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -87.50 -47.10 -85.46 -82.80 -83.66 0.19 4 0 "[ . 1 . 2]"
134 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 THR N -62.70 -15.10 -41.98 -41.87 -42.19 . . 0 "[ . 1 . 2]"
135 . 1 95 GLU C 1 96 THR N 1 96 THR CA 1 96 THR C -75.50 -49.70 -49.57 -52.33 -48.98 0.72 14 0 "[ . 1 . 2]"
136 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 MET N -50.60 -30.60 -48.11 -50.31 -46.73 . . 0 "[ . 1 . 2]"
137 . 1 96 THR C 1 97 MET N 1 97 MET CA 1 97 MET C -75.20 -54.40 -53.20 -53.24 -53.31 1.69 18 0 "[ . 1 . 2]"
138 . 1 97 MET N 1 97 MET CA 1 97 MET C 1 98 LYS N -49.60 -22.00 -23.47 -23.39 -23.85 0.98 12 0 "[ . 1 . 2]"
139 . 1 97 MET C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -79.30 -50.30 -75.29 -77.75 -72.92 . . 0 "[ . 1 . 2]"
140 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 TYR N -56.10 -20.50 -43.86 -43.56 -43.83 . . 0 "[ . 1 . 2]"
141 . 1 98 LYS C 1 99 TYR N 1 99 TYR CA 1 99 TYR C -75.00 -55.00 -65.23 -65.67 -65.80 . . 0 "[ . 1 . 2]"
142 . 1 99 TYR N 1 99 TYR CA 1 99 TYR C 1 100 ILE N -49.00 -29.00 -29.42 -31.85 -28.44 0.56 13 0 "[ . 1 . 2]"
143 . 1 99 TYR C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -74.90 -54.90 -68.70 -72.27 -65.77 . . 0 "[ . 1 . 2]"
144 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 LEU N -53.70 -33.70 -54.14 -55.83 -50.64 2.13 3 0 "[ . 1 . 2]"
145 . 1 100 ILE C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -71.60 -51.60 -68.24 -71.59 -61.05 . . 0 "[ . 1 . 2]"
146 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 ALA N -55.20 -23.40 -56.08 -55.93 -55.97 2.17 13 0 "[ . 1 . 2]"
147 . 1 101 LEU C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -79.60 -46.40 -52.62 -52.13 -52.61 . . 0 "[ . 1 . 2]"
148 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 LEU N -44.70 -22.30 -85.43 -85.03 -85.57 42.82 10 20 [*********+******-***]
149 . 1 102 ALA C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -137.20 -56.60 55.72 55.23 54.93 114.47 12 20 [***********+****-***]
150 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 LYS N -51.30 30.90 -22.33 -25.69 -17.35 . . 0 "[ . 1 . 2]"
151 . 1 103 LEU C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -72.10 -48.70 -29.19 -28.42 -28.58 21.79 4 20 [***+**********-*****]
152 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 ASP N -47.40 -3.80 -42.07 -46.63 -34.90 . . 0 "[ . 1 . 2]"
153 . 1 106 GLN C 1 107 PRO N 1 107 PRO CA 1 107 PRO C -69.90 -52.10 -66.09 -68.02 -70.03 0.70 5 0 "[ . 1 . 2]"
154 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 GLU N -47.90 -14.90 -18.61 -18.35 -19.02 . . 0 "[ . 1 . 2]"
155 . 1 107 PRO C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -73.60 -53.60 -71.72 -74.03 -66.07 0.43 4 0 "[ . 1 . 2]"
156 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 ALA N -52.70 -32.70 -54.30 -55.75 -51.33 3.05 15 0 "[ . 1 . 2]"
157 . 1 108 GLU C 1 109 ALA N 1 109 ALA CA 1 109 ALA C -82.00 -52.40 -61.29 -64.79 -60.24 . . 0 "[ . 1 . 2]"
158 . 1 109 ALA N 1 109 ALA CA 1 109 ALA C 1 110 ALA N -55.30 -31.30 -37.55 -36.32 -36.68 . . 0 "[ . 1 . 2]"
159 . 1 109 ALA C 1 110 ALA N 1 110 ALA CA 1 110 ALA C -72.00 -52.00 -68.68 -68.73 -69.15 0.51 5 0 "[ . 1 . 2]"
160 . 1 110 ALA N 1 110 ALA CA 1 110 ALA C 1 111 GLN N -52.50 -28.30 -33.75 -36.66 -27.25 1.05 19 0 "[ . 1 . 2]"
161 . 1 110 ALA C 1 111 GLN N 1 111 GLN CA 1 111 GLN C -72.10 -52.10 -52.54 -58.64 -51.40 0.70 1 0 "[ . 1 . 2]"
162 . 1 111 GLN N 1 111 GLN CA 1 111 GLN C 1 112 LEU N -53.00 -27.00 -49.97 -53.17 -39.49 0.17 7 0 "[ . 1 . 2]"
163 . 1 111 GLN C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -78.20 -50.00 -56.15 -56.92 -58.15 . . 0 "[ . 1 . 2]"
164 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 ALA N -60.70 -28.30 -43.25 -46.03 -38.47 . . 0 "[ . 1 . 2]"
165 . 1 112 LEU C 1 113 ALA N 1 113 ALA CA 1 113 ALA C -78.90 -49.70 -51.96 -52.19 -54.85 1.00 3 0 "[ . 1 . 2]"
166 . 1 113 ALA N 1 113 ALA CA 1 113 ALA C 1 114 LEU N -48.90 -28.70 -27.02 -27.49 -26.43 2.27 5 0 "[ . 1 . 2]"
167 . 1 113 ALA C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -70.40 -50.40 -68.77 -68.37 -68.77 0.42 5 0 "[ . 1 . 2]"
168 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 ARG N -54.90 -29.10 -55.95 -56.05 -56.20 1.78 14 0 "[ . 1 . 2]"
169 . 1 114 LEU C 1 115 ARG N 1 115 ARG CA 1 115 ARG C -74.30 -54.30 -53.48 -53.61 -53.69 1.29 3 0 "[ . 1 . 2]"
170 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C 1 116 VAL N -54.60 -19.40 -44.89 -45.02 -45.48 . . 0 "[ . 1 . 2]"
171 . 1 115 ARG C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -86.50 -51.30 -48.43 -51.00 -47.73 3.57 18 0 "[ . 1 . 2]"
172 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 GLY N -54.90 -34.90 -32.23 -33.36 -31.73 3.17 1 0 "[ . 1 . 2]"
173 . 1 116 VAL C 1 117 GLY N 1 117 GLY CA 1 117 GLY C -70.90 -50.90 -50.78 -50.94 -51.27 0.49 4 0 "[ . 1 . 2]"
174 . 1 117 GLY N 1 117 GLY CA 1 117 GLY C 1 118 ILE N -51.10 -31.10 -48.49 -49.16 -46.84 . . 0 "[ . 1 . 2]"
175 . 1 117 GLY C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -72.90 -52.90 -52.59 -52.76 -52.34 0.56 16 0 "[ . 1 . 2]"
176 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 ALA N -58.80 -26.60 -31.90 -30.77 -30.92 . . 0 "[ . 1 . 2]"
177 . 1 118 ILE C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -75.70 -48.10 -68.85 -71.39 -59.47 . . 0 "[ . 1 . 2]"
178 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 VAL N -53.00 -29.00 -29.02 -30.08 -28.57 0.43 1 0 "[ . 1 . 2]"
179 . 1 119 ALA C 1 120 VAL N 1 120 VAL CA 1 120 VAL C -80.00 -54.20 -50.77 -50.95 -50.61 3.59 20 0 "[ . 1 . 2]"
180 . 1 120 VAL N 1 120 VAL CA 1 120 VAL C 1 121 ALA N -58.50 -23.50 -39.09 -39.66 -39.90 . . 0 "[ . 1 . 2]"
181 . 1 120 VAL C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -84.70 -49.50 -86.17 -86.22 -86.22 1.70 12 0 "[ . 1 . 2]"
182 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 LYS N -49.80 -1.60 -18.59 -21.25 -17.17 . . 0 "[ . 1 . 2]"
183 . 1 121 ALA C 1 122 LYS N 1 122 LYS CA 1 122 LYS C -130.40 -68.20 -133.34 -133.30 -133.38 3.20 10 0 "[ . 1 . 2]"
184 . 1 122 LYS N 1 122 LYS CA 1 122 LYS C 1 123 SER N -37.90 46.30 50.84 49.71 51.93 5.63 16 2 "[ . 1- .+ 2]"
185 . 1 122 LYS C 1 123 SER N 1 123 SER CA 1 123 SER C -75.20 -42.80 -39.29 -40.16 -38.51 4.29 16 0 "[ . 1 . 2]"
186 . 1 123 SER N 1 123 SER CA 1 123 SER C 1 124 ASP N -45.90 -15.90 -14.02 -13.90 -13.93 2.01 2 0 "[ . 1 . 2]"
187 . 1 128 ASP C 1 129 ASP N 1 129 ASP CA 1 129 ASP C -70.50 -44.70 -106.42 -110.73 -117.36 52.19 5 20 [*-**+***************]
188 . 1 129 ASP N 1 129 ASP CA 1 129 ASP C 1 130 ASP N -50.90 -26.90 -39.97 -50.75 -29.62 . . 0 "[ . 1 . 2]"
189 . 1 129 ASP C 1 130 ASP N 1 130 ASP CA 1 130 ASP C -85.50 -53.10 -80.68 -86.27 -69.36 0.77 16 0 "[ . 1 . 2]"
190 . 1 130 ASP N 1 130 ASP CA 1 130 ASP C 1 131 GLU N -52.20 -19.80 -20.51 -18.46 -18.92 1.53 19 0 "[ . 1 . 2]"
191 . 1 130 ASP C 1 131 GLU N 1 131 GLU CA 1 131 GLU C -75.50 -51.90 -50.71 -49.57 -49.89 2.64 2 0 "[ . 1 . 2]"
192 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C 1 132 LYS N -56.20 -28.60 -29.49 -46.01 -27.41 1.19 12 0 "[ . 1 . 2]"
193 . 1 131 GLU C 1 132 LYS N 1 132 LYS CA 1 132 LYS C -78.60 -52.20 -67.44 -71.79 -50.19 2.01 5 0 "[ . 1 . 2]"
194 . 1 132 LYS N 1 132 LYS CA 1 132 LYS C 1 133 SER N -55.00 -17.20 -52.24 -53.55 -54.12 0.59 16 0 "[ . 1 . 2]"
195 . 1 132 LYS C 1 133 SER N 1 133 SER CA 1 133 SER C -79.00 -52.80 -76.13 -79.34 -68.05 0.34 7 0 "[ . 1 . 2]"
196 . 1 133 SER N 1 133 SER CA 1 133 SER C 1 134 ALA N -65.80 -22.40 -34.13 -38.16 -26.70 . . 0 "[ . 1 . 2]"
197 . 1 133 SER C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -77.20 -51.00 -64.98 -66.05 -68.11 . . 0 "[ . 1 . 2]"
198 . 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 VAL N -53.80 -26.60 -48.74 -52.05 -53.85 1.00 5 0 "[ . 1 . 2]"
199 . 1 134 ALA C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -72.40 -52.40 -55.56 -60.23 -52.17 0.23 13 0 "[ . 1 . 2]"
200 . 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 ARG N -54.80 -34.80 -34.21 -46.62 -32.71 2.09 5 0 "[ . 1 . 2]"
201 . 1 135 VAL C 1 136 ARG N 1 136 ARG CA 1 136 ARG C -68.20 -48.20 -51.87 -53.85 -55.76 0.66 12 0 "[ . 1 . 2]"
202 . 1 136 ARG N 1 136 ARG CA 1 136 ARG C 1 137 GLU N -52.40 -31.20 -52.40 -53.24 -53.61 1.79 11 0 "[ . 1 . 2]"
203 . 1 136 ARG C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -75.40 -55.40 -75.67 -75.67 -75.78 1.26 5 0 "[ . 1 . 2]"
204 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 ILE N -51.60 -29.20 -28.74 -28.58 -28.58 0.88 5 0 "[ . 1 . 2]"
205 . 1 137 GLU C 1 138 ILE N 1 138 ILE CA 1 138 ILE C -76.50 -56.50 -71.69 -77.09 -68.26 0.59 12 0 "[ . 1 . 2]"
206 . 1 138 ILE N 1 138 ILE CA 1 138 ILE C 1 139 ALA N -54.30 -34.30 -55.42 -56.78 -54.35 2.48 12 0 "[ . 1 . 2]"
207 . 1 138 ILE C 1 139 ALA N 1 139 ALA CA 1 139 ALA C -69.50 -49.50 -54.77 -54.10 -54.14 . . 0 "[ . 1 . 2]"
208 . 1 139 ALA N 1 139 ALA CA 1 139 ALA C 1 140 ARG N -52.50 -29.10 -42.25 -50.04 -35.33 . . 0 "[ . 1 . 2]"
209 . 1 139 ALA C 1 140 ARG N 1 140 ARG CA 1 140 ARG C -77.40 -49.80 -74.10 -75.62 -76.27 0.10 1 0 "[ . 1 . 2]"
210 . 1 140 ARG N 1 140 ARG CA 1 140 ARG C 1 141 SER N -51.50 -31.50 -48.04 -51.29 -51.63 0.41 17 0 "[ . 1 . 2]"
211 . 1 140 ARG C 1 141 SER N 1 141 SER CA 1 141 SER C -88.60 -47.80 -57.32 -52.31 -53.72 . . 0 "[ . 1 . 2]"
212 . 1 141 SER N 1 141 SER CA 1 141 SER C 1 142 LEU N -45.80 -5.20 -45.78 -45.96 -46.01 0.91 8 0 "[ . 1 . 2]"
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