NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567898 |
2mb9   |
19392 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mb9
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 203
_TA_constraint_stats_list.Viol_count 571
_TA_constraint_stats_list.Viol_total 15293.36
_TA_constraint_stats_list.Viol_max 28.36
_TA_constraint_stats_list.Viol_rms 2.21
_TA_constraint_stats_list.Viol_average_all_restraints 0.75
_TA_constraint_stats_list.Viol_average_violations_only 2.68
_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 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 GLU N -60.00 -11.70 -17.92 -42.55 -7.08 4.62 8 0 "[ . 1]"
2 . 1 13 GLU C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -90.00 -38.96 -42.93 -61.08 -36.16 2.80 1 0 "[ . 1]"
3 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ASP N -70.00 -19.44 -51.15 -51.63 -57.34 . . 0 "[ . 1]"
4 . 1 14 GLU C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -90.00 -39.52 -60.58 -57.54 -58.50 . . 0 "[ . 1]"
5 . 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 LEU N -70.00 -19.94 -36.45 -33.64 -35.02 . . 0 "[ . 1]"
6 . 1 15 ASP C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -90.00 -38.44 -83.76 -91.40 -69.46 1.40 2 0 "[ . 1]"
7 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 THR N -70.00 -14.76 -18.64 -12.81 -13.47 4.06 8 0 "[ . 1]"
8 . 1 16 LEU C 1 17 THR N 1 17 THR CA 1 17 THR C -90.00 -39.70 -79.29 -118.36 -39.21 28.36 2 1 "[ + . 1]"
9 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 GLU N -60.00 -29.32 -26.44 -3.24 -25.60 26.08 2 1 "[ + . 1]"
10 . 1 17 THR C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -80.00 -46.56 -53.51 -69.32 -45.82 0.74 1 0 "[ . 1]"
11 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 VAL N -70.00 -16.06 -29.23 -41.02 -16.58 . . 0 "[ . 1]"
12 . 1 18 GLU C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -90.00 -39.74 -57.77 -45.90 -50.87 . . 0 "[ . 1]"
13 . 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 LYS N -60.00 -29.68 -25.36 -28.16 -23.49 6.19 9 4 "[ - *+*]"
14 . 1 19 VAL C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -80.00 -38.98 -42.25 -53.54 -36.48 2.50 10 0 "[ . 1]"
15 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 LYS N -70.00 -17.84 -33.74 -51.83 -17.29 0.55 6 0 "[ . 1]"
16 . 1 20 LYS C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -90.00 -39.48 -62.87 -52.31 -59.39 0.62 8 0 "[ . 1]"
17 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 ASP N -70.00 -16.62 -34.39 -55.49 -15.91 0.71 3 0 "[ . 1]"
18 . 1 21 LYS C 1 22 ASP N 1 22 ASP CA 1 22 ASP C -90.00 -39.90 -78.67 -92.01 -62.01 2.01 10 0 "[ . 1]"
19 . 1 22 ASP N 1 22 ASP CA 1 22 ASP C 1 23 ALA N -70.00 -19.34 -38.27 -20.31 -28.70 . . 0 "[ . 1]"
20 . 1 22 ASP C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -90.00 -30.42 -59.43 -69.44 -47.03 . . 0 "[ . 1]"
21 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 LEU N -70.00 -17.88 -35.99 -48.67 -16.43 1.45 10 0 "[ . 1]"
22 . 1 23 ALA C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -90.00 -39.86 -63.41 -76.57 -40.08 . . 0 "[ . 1]"
23 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 GLU N -70.00 -18.20 -24.32 -20.07 -23.12 2.60 8 0 "[ . 1]"
24 . 1 24 LEU C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -90.00 -38.98 -64.79 -70.50 -73.98 0.89 10 0 "[ . 1]"
25 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 ASN N -70.00 -18.82 -48.70 -56.03 -40.43 . . 0 "[ . 1]"
26 . 1 25 GLU C 1 26 ASN N 1 26 ASN CA 1 26 ASN C -90.00 -39.96 -70.55 -65.28 -69.39 0.75 10 0 "[ . 1]"
27 . 1 26 ASN N 1 26 ASN CA 1 26 ASN C 1 27 LEU N -60.00 12.08 -33.80 -46.41 -16.40 . . 0 "[ . 1]"
28 . 1 26 ASN C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -110.00 -22.06 -63.34 -65.91 -67.47 . . 0 "[ . 1]"
29 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 ARG N -70.00 11.46 -43.07 -51.22 -30.81 . . 0 "[ . 1]"
30 . 1 27 LEU C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -80.00 -32.20 -56.29 -63.21 -51.31 . . 0 "[ . 1]"
31 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 VAL N -70.00 -23.82 -28.06 -30.87 -46.12 1.44 6 0 "[ . 1]"
32 . 1 28 ARG C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -90.00 -30.62 -85.10 -91.34 -73.42 1.34 10 0 "[ . 1]"
33 . 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 TYR N -70.00 -19.70 -59.32 -67.57 -43.24 . . 0 "[ . 1]"
34 . 1 29 VAL C 1 30 TYR N 1 30 TYR CA 1 30 TYR C -80.00 -39.22 -74.98 -79.59 -80.57 1.71 10 0 "[ . 1]"
35 . 1 30 TYR N 1 30 TYR CA 1 30 TYR C 1 31 LEU N -70.00 -19.74 -27.59 -41.84 -18.72 1.02 7 0 "[ . 1]"
36 . 1 30 TYR C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -90.00 -32.56 -78.04 -75.77 -85.68 0.13 1 0 "[ . 1]"
37 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 CYS N -70.00 -12.66 -19.90 -24.12 -36.72 0.72 6 0 "[ . 1]"
38 . 1 31 LEU C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -90.00 -38.46 -54.16 -62.70 -38.14 0.32 10 0 "[ . 1]"
39 . 1 32 CYS N 1 32 CYS CA 1 32 CYS C 1 33 GLU N -70.00 -15.58 -28.75 -25.85 -32.31 0.68 5 0 "[ . 1]"
40 . 1 32 CYS C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -90.00 -46.32 -79.96 -91.13 -92.00 2.00 1 0 "[ . 1]"
41 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 LYS N -50.00 0.42 -20.11 -14.16 -30.21 0.30 9 0 "[ . 1]"
42 . 1 33 GLU C 1 34 LYS N 1 34 LYS CA 1 34 LYS C -120.00 -69.88 -111.37 -121.87 -95.94 1.87 5 0 "[ . 1]"
43 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 ILE N -30.00 20.06 -18.84 -32.06 17.92 2.06 2 0 "[ . 1]"
44 . 1 34 LYS C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -140.00 -31.74 -104.35 -136.19 -73.37 . . 0 "[ . 1]"
45 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 ILE N 100.00 169.04 118.29 98.72 174.70 5.66 1 2 "[+ . -]"
46 . 1 35 ILE C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -110.00 -55.68 -85.88 -111.19 -51.44 4.24 10 0 "[ . 1]"
47 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 ALA N 130.00 -161.80 138.46 121.48 -142.97 18.83 1 7 "[+ ****- *]"
48 . 1 36 ILE C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -80.00 -32.72 -70.71 -84.60 -18.02 14.70 1 2 "[+ . -]"
49 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 GLU N -70.00 0.98 -24.54 -52.15 3.71 2.73 10 0 "[ . 1]"
50 . 1 37 ALA C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -100.00 -32.98 -52.98 -77.87 -91.39 0.25 9 0 "[ . 1]"
51 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ARG N -70.00 14.54 -44.38 -69.92 -8.91 . . 0 "[ . 1]"
52 . 1 38 GLU C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -90.00 -53.98 -80.92 -90.50 -63.35 0.50 7 0 "[ . 1]"
53 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 HIS N -60.00 -12.62 -14.33 -13.16 -70.96 10.96 1 4 "[+ .* * -]"
54 . 1 39 ARG C 1 40 HIS N 1 40 HIS CA 1 40 HIS C -90.00 -48.08 -76.62 -93.06 -104.92 14.92 1 3 "[+ . * -]"
55 . 1 40 HIS N 1 40 HIS CA 1 40 HIS C 1 41 PHE N -70.00 -8.36 -22.68 -53.19 -88.55 18.55 1 1 "[+ . 1]"
56 . 1 40 HIS C 1 41 PHE N 1 41 PHE CA 1 41 PHE C -90.00 -37.76 -64.20 -91.59 -108.04 18.04 1 1 "[+ . 1]"
57 . 1 41 PHE N 1 41 PHE CA 1 41 PHE C 1 42 ASP N -70.00 -13.30 -36.76 -69.04 -9.90 3.40 9 0 "[ . 1]"
58 . 1 41 PHE C 1 42 ASP N 1 42 ASP CA 1 42 ASP C -90.00 -36.70 -64.43 -91.17 -35.01 1.69 1 0 "[ . 1]"
59 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 HIS N -70.00 -16.62 -48.42 -60.31 -69.10 1.87 1 0 "[ . 1]"
60 . 1 42 ASP C 1 43 HIS N 1 43 HIS CA 1 43 HIS C -90.00 -40.00 -76.20 -90.53 -53.44 0.53 8 0 "[ . 1]"
61 . 1 43 HIS N 1 43 HIS CA 1 43 HIS C 1 44 LEU N -70.00 -19.24 -18.03 -16.74 -17.60 3.33 9 0 "[ . 1]"
62 . 1 43 HIS C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -90.00 -38.22 -74.55 -76.39 -90.68 2.41 8 0 "[ . 1]"
63 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 ARG N -70.00 -14.96 -21.71 -29.54 -40.11 1.89 6 0 "[ . 1]"
64 . 1 44 LEU C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -90.00 -35.00 -72.85 -79.39 -66.22 . . 0 "[ . 1]"
65 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 ALA N -70.00 -0.58 -5.48 -2.99 -6.79 1.22 7 0 "[ . 1]"
66 . 1 45 ARG C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -90.00 -39.98 -67.46 -77.86 -57.51 . . 0 "[ . 1]"
67 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 LYS N -50.00 0.02 -51.10 -52.19 -49.89 2.19 4 0 "[ . 1]"
68 . 1 46 ALA C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -110.00 -63.42 -92.59 -90.93 -93.34 0.42 4 0 "[ . 1]"
69 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 LYS N -20.00 29.98 -23.31 -23.14 -23.79 5.96 8 2 "[ . +-1]"
70 . 1 47 LYS C 1 48 LYS N 1 48 LYS CA 1 48 LYS C 40.00 72.34 49.52 40.74 59.28 . . 0 "[ . 1]"
71 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 ILE N 10.00 61.60 58.50 27.75 64.54 2.94 7 0 "[ . 1]"
72 . 1 49 ILE C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -170.00 -99.26 -130.79 -172.65 -100.02 2.65 4 0 "[ . 1]"
73 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 SER N 120.00 -155.50 -174.73 152.75 -156.29 . . 0 "[ . 1]"
74 . 1 50 LEU C 1 51 SER N 1 51 SER CA 1 51 SER C -110.00 -44.94 -89.44 -82.41 -82.61 2.43 6 0 "[ . 1]"
75 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 ARG N 130.00 -163.26 167.09 -174.53 -177.46 8.47 4 2 "[ +.- 1]"
76 . 1 51 SER C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -80.00 -30.18 -66.87 -89.55 -49.33 9.55 6 2 "[ -.+ 1]"
77 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 GLU N -70.00 -17.92 -54.81 -36.29 -40.63 14.89 4 2 "[ +.- 1]"
78 . 1 52 ARG C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -90.00 -40.20 -75.00 -101.85 -39.97 11.85 6 2 "[ -.+ 1]"
79 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 ASP N -70.00 -15.56 -46.98 -21.78 -30.71 1.04 4 0 "[ . 1]"
80 . 1 53 GLU C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -90.00 -37.10 -70.14 -86.07 -54.28 . . 0 "[ . 1]"
81 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 THR N -70.00 -20.00 -35.85 -41.04 -46.15 1.25 8 0 "[ . 1]"
82 . 1 54 ASP C 1 55 THR N 1 55 THR CA 1 55 THR C -90.00 -35.44 -68.58 -71.54 -74.94 . . 0 "[ . 1]"
83 . 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 ARG N -70.00 -12.28 -18.93 -27.43 -9.79 2.49 1 0 "[ . 1]"
84 . 1 55 THR C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -80.00 -49.90 -76.58 -65.29 -69.87 3.77 8 0 "[ . 1]"
85 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 GLU N -70.00 -19.86 -43.44 -19.60 -31.62 0.26 2 0 "[ . 1]"
86 . 1 56 ARG C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -90.00 -39.94 -64.13 -49.33 -54.02 1.39 4 0 "[ . 1]"
87 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ILE N -70.00 -19.94 -28.65 -60.41 -14.57 5.37 6 1 "[ .+ 1]"
88 . 1 57 GLU C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -90.00 -35.44 -56.27 -66.73 -83.28 2.43 6 0 "[ . 1]"
89 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 SER N -70.00 -19.44 -28.95 -40.82 -16.25 3.19 8 0 "[ . 1]"
90 . 1 58 ILE C 1 59 SER N 1 59 SER CA 1 59 SER C -90.00 -33.88 -74.25 -73.45 -76.60 1.32 9 0 "[ . 1]"
91 . 1 59 SER N 1 59 SER CA 1 59 SER C 1 60 CYS N -70.00 -1.02 -16.10 -32.04 1.59 2.61 7 0 "[ . 1]"
92 . 1 59 SER C 1 60 CYS N 1 60 CYS CA 1 60 CYS C -90.00 -29.70 -75.15 -91.82 -28.53 1.82 9 0 "[ . 1]"
93 . 1 60 CYS N 1 60 CYS CA 1 60 CYS C 1 61 ARG N -70.00 -19.86 -33.44 -72.74 -10.03 9.83 1 3 "[+ . -* 1]"
94 . 1 60 CYS C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -90.00 -27.02 -71.13 -92.83 -16.88 10.14 8 3 "[* . -+ 1]"
95 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 THR N -70.00 7.46 -0.36 -72.58 14.26 6.80 1 2 "[+ . - 1]"
96 . 1 61 ARG C 1 62 THR N 1 62 THR CA 1 62 THR C -100.00 -39.92 -61.48 -42.80 -44.78 3.18 5 0 "[ . 1]"
97 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 SER N 110.00 179.78 143.72 109.60 -175.95 4.27 7 0 "[ . 1]"
98 . 1 62 THR C 1 63 SER N 1 63 SER CA 1 63 SER C -160.00 -16.70 -96.56 -161.21 -15.25 1.45 1 0 "[ . 1]"
99 . 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 SER N 130.00 -168.72 148.97 -170.08 151.52 2.76 8 0 "[ . 1]"
100 . 1 63 SER C 1 64 SER N 1 64 SER CA 1 64 SER C -90.00 -23.42 -49.73 -93.99 -29.56 3.99 3 0 "[ . 1]"
101 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 ARG N -70.00 -5.80 -57.36 -74.82 -18.83 4.82 3 0 "[ . 1]"
102 . 1 64 SER C 1 65 ARG N 1 65 ARG CA 1 65 ARG C -90.00 -38.06 -78.59 -92.48 -56.51 2.48 3 0 "[ . 1]"
103 . 1 65 ARG N 1 65 ARG CA 1 65 ARG C 1 66 LYS N -70.00 -17.22 -28.11 -27.48 -31.96 1.68 3 0 "[ . 1]"
104 . 1 65 ARG C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -80.00 -49.84 -69.22 -70.64 -75.99 1.77 7 0 "[ . 1]"
105 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 ARG N -60.00 -28.56 -32.88 -60.49 -26.14 2.42 6 0 "[ . 1]"
106 . 1 66 LYS C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -90.00 -39.40 -58.53 -82.06 -41.35 . . 0 "[ . 1]"
107 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 ALA N -70.00 -19.62 -47.60 -48.72 -60.40 1.01 1 0 "[ . 1]"
108 . 1 67 ARG C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -90.00 -38.88 -80.16 -85.64 -90.26 2.61 3 0 "[ . 1]"
109 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 GLY N -70.00 -6.84 -43.85 -70.01 -9.97 0.01 3 0 "[ . 1]"
110 . 1 68 ALA C 1 69 GLY N 1 69 GLY CA 1 69 GLY C -90.00 -38.74 -73.87 -90.33 -61.07 0.33 3 0 "[ . 1]"
111 . 1 69 GLY N 1 69 GLY CA 1 69 GLY C 1 70 LYS N -70.00 -18.94 -24.38 -29.25 -46.85 0.73 6 0 "[ . 1]"
112 . 1 69 GLY C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -90.00 -39.72 -66.83 -70.18 -74.66 . . 0 "[ . 1]"
113 . 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 LEU N -70.00 -7.56 -28.39 -21.37 -26.98 1.38 3 0 "[ . 1]"
114 . 1 70 LYS C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -90.00 -38.48 -61.91 -67.67 -56.23 . . 0 "[ . 1]"
115 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 LEU N -70.00 -15.10 -50.03 -49.32 -52.11 . . 0 "[ . 1]"
116 . 1 71 LEU C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -90.00 -36.06 -68.59 -71.04 -72.57 . . 0 "[ . 1]"
117 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 ASP N -70.00 -16.18 -21.99 -15.96 -22.86 1.32 6 0 "[ . 1]"
118 . 1 72 LEU C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -90.00 -39.62 -73.92 -81.99 -58.57 . . 0 "[ . 1]"
119 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 TYR N -70.00 -12.28 -46.42 -64.43 -19.35 . . 0 "[ . 1]"
120 . 1 73 ASP C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -90.00 -39.72 -73.07 -70.02 -70.43 0.82 8 0 "[ . 1]"
121 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 LEU N -70.00 -18.04 -21.07 -45.48 -14.73 3.31 6 0 "[ . 1]"
122 . 1 74 TYR C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -90.00 -38.72 -77.81 -90.40 -90.61 0.61 1 0 "[ . 1]"
123 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 GLN N -70.00 -15.20 -25.29 -13.60 -14.06 9.92 10 2 "[ . - +]"
124 . 1 75 LEU C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -90.00 -40.34 -72.14 -101.38 -39.91 11.38 10 2 "[ . - +]"
125 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 GLU N -50.00 0.08 -41.03 -14.31 -42.18 16.46 8 2 "[ . + -]"
126 . 1 76 GLN C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -120.00 -60.54 -86.08 -67.39 -78.40 14.53 8 2 "[ . + -]"
127 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 ASN N -40.00 25.72 -23.93 -50.78 25.75 10.78 9 2 "[ . +-]"
128 . 1 77 GLU C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -150.00 -100.52 -121.81 -160.09 -97.72 10.09 9 1 "[ . +1]"
129 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 PRO N 50.00 80.60 83.27 47.73 94.85 14.25 10 5 "[* - * * +]"
130 . 1 78 ASN C 1 79 PRO N 1 79 PRO CA 1 79 PRO C -80.00 -30.16 -34.89 -84.40 -23.69 6.47 10 2 "[ - +]"
131 . 1 79 PRO N 1 79 PRO CA 1 79 PRO C 1 80 LYS N -60.00 -9.78 -33.21 -32.78 -40.46 15.88 9 1 "[ . +1]"
132 . 1 79 PRO C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -120.00 -59.60 -88.59 -79.45 -91.92 16.39 9 1 "[ . +1]"
133 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 GLY N -30.00 35.58 2.28 -31.32 38.50 2.92 8 0 "[ . 1]"
134 . 1 80 LYS C 1 81 GLY N 1 81 GLY CA 1 81 GLY C -90.00 -40.22 -63.37 -88.84 -40.04 0.18 9 0 "[ . 1]"
135 . 1 81 GLY N 1 81 GLY CA 1 81 GLY C 1 82 LEU N -70.00 -3.74 -43.85 -44.86 -46.60 5.37 9 1 "[ . +1]"
136 . 1 81 GLY C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -90.00 -38.10 -68.29 -73.27 -80.01 1.87 9 0 "[ . 1]"
137 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 ASP N -70.00 -20.86 -25.86 -41.03 -17.73 3.13 9 0 "[ . 1]"
138 . 1 82 LEU C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -80.00 -31.76 -58.40 -63.44 -64.13 . . 0 "[ . 1]"
139 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 THR N -70.00 -17.46 -38.04 -32.72 -36.10 0.12 6 0 "[ . 1]"
140 . 1 83 ASP C 1 84 THR N 1 84 THR CA 1 84 THR C -90.00 -39.98 -66.98 -90.28 -51.19 0.28 9 0 "[ . 1]"
141 . 1 84 THR N 1 84 THR CA 1 84 THR C 1 85 LEU N -60.00 -29.96 -31.06 -29.20 -29.38 2.65 9 0 "[ . 1]"
142 . 1 84 THR C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -90.00 -34.54 -79.43 -79.41 -84.02 1.70 8 0 "[ . 1]"
143 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 VAL N -70.00 -18.94 -40.18 -52.06 -54.39 0.64 8 0 "[ . 1]"
144 . 1 85 LEU C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -80.00 -48.94 -57.61 -58.57 -59.07 . . 0 "[ . 1]"
145 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 GLU N -70.00 -19.30 -30.00 -21.26 -25.54 . . 0 "[ . 1]"
146 . 1 86 VAL C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -90.00 -36.08 -62.61 -75.70 -49.73 . . 0 "[ . 1]"
147 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 SER N -70.00 -5.94 -33.90 -26.18 -34.14 . . 0 "[ . 1]"
148 . 1 87 GLU C 1 88 SER N 1 88 SER CA 1 88 SER C -90.00 -39.64 -79.03 -75.35 -80.98 0.19 7 0 "[ . 1]"
149 . 1 88 SER N 1 88 SER CA 1 88 SER C 1 89 ILE N -70.00 -19.78 -25.12 -34.38 -19.09 0.69 6 0 "[ . 1]"
150 . 1 88 SER C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -80.00 -49.94 -74.45 -82.77 -65.20 2.77 5 0 "[ . 1]"
151 . 1 89 ILE N 1 89 ILE CA 1 89 ILE C 1 90 ARG N -70.00 -19.86 -22.69 -32.49 -17.18 2.68 5 0 "[ . 1]"
152 . 1 89 ILE C 1 90 ARG N 1 90 ARG CA 1 90 ARG C -90.00 -39.60 -54.01 -67.74 -36.19 3.41 5 0 "[ . 1]"
153 . 1 90 ARG N 1 90 ARG CA 1 90 ARG C 1 91 ARG N -70.00 -6.54 -26.34 -36.72 -65.95 6.78 5 1 "[ + 1]"
154 . 1 90 ARG C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -90.00 -38.68 -81.75 -81.76 -91.92 8.67 5 1 "[ + 1]"
155 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 GLU N -70.00 -8.86 -15.77 3.40 -4.45 12.26 2 1 "[ + . 1]"
156 . 1 91 ARG C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -90.00 -37.26 -52.92 -29.76 -34.22 7.50 2 2 "[ + - 1]"
157 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 LYS N -70.00 -19.26 -39.89 -23.11 -74.47 9.71 7 6 "[ - ***+ *]"
158 . 1 92 GLU C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -90.00 -32.70 -65.11 -65.20 -94.09 12.17 7 3 "[ *-+ 1]"
159 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 THR N -60.00 3.32 -32.37 -45.06 -64.48 11.15 7 1 "[ . + 1]"
160 . 1 93 LYS C 1 94 THR N 1 94 THR CA 1 94 THR C -110.00 -39.12 -94.07 -111.23 -113.06 9.83 7 1 "[ . + 1]"
161 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 GLN N -50.00 0.86 -31.46 -5.10 -23.43 2.34 9 0 "[ . 1]"
162 . 1 95 GLN C 1 96 ASN N 1 96 ASN CA 1 96 ASN C -80.00 -31.26 -70.16 -58.12 -67.43 1.41 8 0 "[ . 1]"
163 . 1 96 ASN N 1 96 ASN CA 1 96 ASN C 1 97 PHE N -60.00 -8.80 -12.77 -34.57 -3.01 5.79 5 1 "[ + 1]"
164 . 1 96 ASN C 1 97 PHE N 1 97 PHE CA 1 97 PHE C -90.00 -37.08 -46.55 -61.95 -34.26 2.82 5 0 "[ . 1]"
165 . 1 97 PHE N 1 97 PHE CA 1 97 PHE C 1 98 LEU N -70.00 -13.38 -49.84 -22.84 -34.95 . . 0 "[ . 1]"
166 . 1 97 PHE C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -90.00 -39.52 -73.23 -90.90 -54.42 0.90 9 0 "[ . 1]"
167 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 ILE N -60.00 -23.74 -35.83 -32.20 -36.27 1.78 9 0 "[ . 1]"
168 . 1 98 LEU C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -80.00 -49.74 -66.87 -75.22 -50.04 . . 0 "[ . 1]"
169 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 GLN N -60.00 -29.18 -36.86 -30.18 -35.71 1.10 5 0 "[ . 1]"
170 . 1 99 ILE C 1 100 GLN N 1 100 GLN CA 1 100 GLN C -90.00 -35.62 -72.95 -63.75 -64.29 . . 0 "[ . 1]"
171 . 1 100 GLN N 1 100 GLN CA 1 100 GLN C 1 101 LYS N -70.00 -18.00 -33.30 -40.01 -40.72 . . 0 "[ . 1]"
172 . 1 100 GLN C 1 101 LYS N 1 101 LYS CA 1 101 LYS C -80.00 -38.76 -65.62 -80.22 -54.03 0.22 9 0 "[ . 1]"
173 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 ILE N -70.00 -13.92 -36.05 -46.48 -15.87 . . 0 "[ . 1]"
174 . 1 101 LYS C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -90.00 -39.86 -65.28 -68.52 -71.83 . . 0 "[ . 1]"
175 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 THR N -70.00 -19.56 -41.89 -50.31 -37.29 . . 0 "[ . 1]"
176 . 1 102 ILE C 1 103 THR N 1 103 THR CA 1 103 THR C -80.00 -48.82 -62.98 -60.48 -61.16 . . 0 "[ . 1]"
177 . 1 103 THR N 1 103 THR CA 1 103 THR C 1 104 ASP N -70.00 -17.16 -45.20 -42.90 -45.39 . . 0 "[ . 1]"
178 . 1 103 THR C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -90.00 -39.04 -54.55 -59.04 -49.85 . . 0 "[ . 1]"
179 . 1 104 ASP N 1 104 ASP CA 1 104 ASP C 1 105 GLU N -60.00 -14.94 -47.24 -42.09 -44.13 0.27 10 0 "[ . 1]"
180 . 1 104 ASP C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -90.00 -40.02 -61.42 -70.06 -47.73 . . 0 "[ . 1]"
181 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 VAL N -70.00 -17.16 -53.35 -53.93 -55.22 . . 0 "[ . 1]"
182 . 1 105 GLU C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -90.00 -39.40 -56.71 -53.17 -55.05 . . 0 "[ . 1]"
183 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 LEU N -70.00 -17.06 -45.57 -44.74 -45.64 . . 0 "[ . 1]"
184 . 1 106 VAL C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -80.00 -38.74 -69.60 -80.88 -58.67 0.88 3 0 "[ . 1]"
185 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 LYS N -70.00 -17.34 -31.99 -38.26 -40.72 . . 0 "[ . 1]"
186 . 1 107 LEU C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -80.00 -47.78 -74.84 -80.25 -68.53 0.25 4 0 "[ . 1]"
187 . 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 LEU N -70.00 -19.58 -33.94 -26.71 -29.42 . . 0 "[ . 1]"
188 . 1 108 LYS C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -90.00 -34.24 -64.83 -63.96 -66.96 . . 0 "[ . 1]"
189 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 ARG N -70.00 -11.82 -11.18 -17.93 -8.51 3.31 3 0 "[ . 1]"
190 . 1 109 LEU C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -90.00 -39.42 -49.69 -62.31 -38.51 0.91 10 0 "[ . 1]"
191 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 ASN N -70.00 -19.38 -29.53 -19.23 -26.13 0.37 2 0 "[ . 1]"
192 . 1 110 ARG C 1 111 ASN N 1 111 ASN CA 1 111 ASN C -90.00 -36.24 -63.21 -75.61 -53.63 . . 0 "[ . 1]"
193 . 1 111 ASN N 1 111 ASN CA 1 111 ASN C 1 112 ILE N -70.00 -7.84 -37.13 -33.22 -34.67 . . 0 "[ . 1]"
194 . 1 111 ASN C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -90.00 -39.88 -64.15 -64.17 -67.54 . . 0 "[ . 1]"
195 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 LYS N -60.00 -29.78 -28.95 -27.33 -27.83 3.20 9 0 "[ . 1]"
196 . 1 112 ILE C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -90.00 -36.50 -65.27 -42.68 -50.64 1.22 5 0 "[ . 1]"
197 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 LEU N -70.00 -2.88 -33.92 -52.64 -1.59 1.29 5 0 "[ . 1]"
198 . 1 113 LYS C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -90.00 -32.58 -68.43 -68.98 -69.45 . . 0 "[ . 1]"
199 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 GLU N -70.00 -15.68 -36.44 -15.51 -33.14 0.59 7 0 "[ . 1]"
200 . 1 114 LEU C 1 115 GLU N 1 115 GLU CA 1 115 GLU C -90.00 -40.12 -77.39 -90.21 -60.96 0.21 10 0 "[ . 1]"
201 . 1 115 GLU N 1 115 GLU CA 1 115 GLU C 1 116 HIS N -60.00 9.98 -20.08 -36.82 -46.23 . . 0 "[ . 1]"
202 . 1 115 GLU C 1 116 HIS N 1 116 HIS CA 1 116 HIS C -100.00 -50.00 -79.80 -94.32 -64.37 . . 0 "[ . 1]"
203 . 1 116 HIS N 1 116 HIS CA 1 116 HIS C 1 117 LEU N -50.00 -19.84 -18.81 -21.90 -16.35 3.49 4 0 "[ . 1]"
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