NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527793 |
2lbt   |
17575 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lbt
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 216
_TA_constraint_stats_list.Viol_count 245
_TA_constraint_stats_list.Viol_total 6598.72
_TA_constraint_stats_list.Viol_max 12.90
_TA_constraint_stats_list.Viol_rms 0.50
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 1.35
_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 1 GLY C 1 2 GLN N 1 2 GLN CA 1 2 GLN C -149.40 -9.40 -110.01 -150.35 -72.55 0.95 13 0 "[ . 1 . 2]"
2 . 1 2 GLN N 1 2 GLN CA 1 2 GLN C 1 3 ALA N 64.90 -155.10 148.26 104.75 -162.53 . . 0 "[ . 1 . 2]"
3 . 1 2 GLN C 1 3 ALA N 1 3 ALA CA 1 3 ALA C -104.00 -48.80 -86.47 -74.28 -81.43 7.52 3 1 "[ + . 1 . 2]"
4 . 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 PRO N 116.50 173.10 135.21 113.84 158.17 2.66 3 0 "[ . 1 . 2]"
5 . 1 3 ALA C 1 4 PRO N 1 4 PRO CA 1 4 PRO C -90.70 -50.70 -64.62 -87.73 -50.25 0.45 10 0 "[ . 1 . 2]"
6 . 1 4 PRO N 1 4 PRO CA 1 4 PRO C 1 5 PRO N 99.80 -167.60 137.86 111.24 159.93 . . 0 "[ . 1 . 2]"
7 . 1 4 PRO C 1 5 PRO N 1 5 PRO CA 1 5 PRO C -85.90 -45.90 -63.51 -75.02 -46.75 . . 0 "[ . 1 . 2]"
8 . 1 5 PRO N 1 5 PRO CA 1 5 PRO C 1 6 GLY N 132.70 172.70 150.96 129.58 172.85 3.12 3 0 "[ . 1 . 2]"
9 . 1 5 PRO C 1 6 GLY N 1 6 GLY CA 1 6 GLY C 168.90 -51.10 -118.20 166.75 -68.72 2.15 15 0 "[ . 1 . 2]"
10 . 1 6 GLY N 1 6 GLY CA 1 6 GLY C 1 7 PRO N 99.00 -151.40 -173.65 139.46 -150.28 1.12 16 0 "[ . 1 . 2]"
11 . 1 6 GLY C 1 7 PRO N 1 7 PRO CA 1 7 PRO C -85.70 -45.70 -68.79 -61.78 -61.86 0.53 14 0 "[ . 1 . 2]"
12 . 1 7 PRO N 1 7 PRO CA 1 7 PRO C 1 8 PRO N 126.80 169.00 142.37 145.45 137.65 0.78 8 0 "[ . 1 . 2]"
13 . 1 7 PRO C 1 8 PRO N 1 8 PRO CA 1 8 PRO C -86.90 -46.90 -64.23 -69.42 -75.45 . . 0 "[ . 1 . 2]"
14 . 1 8 PRO N 1 8 PRO CA 1 8 PRO C 1 9 ALA N 129.50 169.50 153.44 169.81 168.13 2.00 14 0 "[ . 1 . 2]"
15 . 1 9 ALA C 1 10 SER N 1 10 SER CA 1 10 SER C -172.70 -32.70 -96.48 -161.66 -56.79 . . 0 "[ . 1 . 2]"
16 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 GLY N 99.20 -150.00 143.71 98.46 -155.73 0.74 17 0 "[ . 1 . 2]"
17 . 1 12 PRO C 1 13 CYS N 1 13 CYS CA 1 13 CYS C -147.30 -95.90 -122.82 -128.05 -135.25 1.40 5 0 "[ . 1 . 2]"
18 . 1 13 CYS N 1 13 CYS CA 1 13 CYS C 1 14 ALA N 137.00 178.20 142.90 135.24 134.99 2.90 1 0 "[ . 1 . 2]"
19 . 1 15 ASP C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -83.00 -43.00 -60.07 -63.10 -54.20 . . 0 "[ . 1 . 2]"
20 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 GLN N -57.40 -17.40 -32.79 -42.68 -22.00 . . 0 "[ . 1 . 2]"
21 . 1 16 LEU C 1 17 GLN N 1 17 GLN CA 1 17 GLN C -85.40 -45.40 -60.71 -75.61 -54.86 . . 0 "[ . 1 . 2]"
22 . 1 17 GLN N 1 17 GLN CA 1 17 GLN C 1 18 SER N -50.20 -10.20 -40.59 -43.14 -35.41 . . 0 "[ . 1 . 2]"
23 . 1 18 SER C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -105.30 -20.30 -85.00 -94.23 -73.63 . . 0 "[ . 1 . 2]"
24 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 ILE N -64.10 7.30 -34.96 -39.46 -29.00 . . 0 "[ . 1 . 2]"
25 . 1 19 ALA C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -97.80 -33.60 -70.87 -69.00 -69.79 . . 0 "[ . 1 . 2]"
26 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 ASN N -73.60 -1.80 -51.86 -55.66 -46.88 . . 0 "[ . 1 . 2]"
27 . 1 20 ILE C 1 21 ASN N 1 21 ASN CA 1 21 ASN C -86.00 -46.00 -59.94 -63.50 -63.79 . . 0 "[ . 1 . 2]"
28 . 1 21 ASN N 1 21 ASN CA 1 21 ASN C 1 22 ALA N -57.00 -17.00 -33.13 -27.10 -30.24 . . 0 "[ . 1 . 2]"
29 . 1 21 ASN C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -83.00 -43.00 -66.20 -76.01 -59.86 . . 0 "[ . 1 . 2]"
30 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 VAL N -59.50 -6.10 -35.09 -32.68 -33.85 . . 0 "[ . 1 . 2]"
31 . 1 22 ALA C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -113.70 -40.50 -77.69 -71.01 -73.08 . . 0 "[ . 1 . 2]"
32 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 THR N -64.90 -24.90 -42.87 -43.73 -45.21 . . 0 "[ . 1 . 2]"
33 . 1 23 VAL C 1 24 THR N 1 24 THR CA 1 24 THR C -122.00 -38.80 -73.16 -83.17 -66.11 . . 0 "[ . 1 . 2]"
34 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 GLY N -50.50 16.90 -41.41 -37.63 -40.40 . . 0 "[ . 1 . 2]"
35 . 1 25 GLY C 1 26 GLY N 1 26 GLY CA 1 26 GLY C 165.50 -54.50 167.57 161.28 -139.37 4.22 3 0 "[ . 1 . 2]"
36 . 1 26 GLY N 1 26 GLY CA 1 26 GLY C 1 27 PRO N 78.00 -142.00 -153.96 -156.85 -158.58 2.62 19 0 "[ . 1 . 2]"
37 . 1 26 GLY C 1 27 PRO N 1 27 PRO CA 1 27 PRO C -91.00 -51.00 -85.41 -91.80 -69.15 0.80 10 0 "[ . 1 . 2]"
38 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 ILE N 131.10 171.10 169.81 171.05 170.79 1.21 18 0 "[ . 1 . 2]"
39 . 1 27 PRO C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -138.70 -66.10 -86.79 -81.16 -84.43 . . 0 "[ . 1 . 2]"
40 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 ALA N 92.80 159.60 115.10 106.38 124.49 . . 0 "[ . 1 . 2]"
41 . 1 28 ILE C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -126.80 -75.60 -88.26 -82.78 -86.17 . . 0 "[ . 1 . 2]"
42 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 PHE N 121.50 161.50 142.64 121.03 152.77 0.47 3 0 "[ . 1 . 2]"
43 . 1 29 ALA C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -157.90 -83.70 -114.05 -117.91 -119.08 . . 0 "[ . 1 . 2]"
44 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 GLY N 119.00 180.00 165.77 160.01 159.32 4.18 8 0 "[ . 1 . 2]"
45 . 1 30 PHE C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 61.90 -158.10 -174.77 -175.55 -178.75 9.10 8 1 "[ . + 1 . 2]"
46 . 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 ASN N 103.30 -116.70 -168.23 101.69 -119.80 1.61 18 0 "[ . 1 . 2]"
47 . 1 32 ASN C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -122.40 -52.40 -79.65 -65.57 -67.08 12.90 16 3 "[ * 1- .+ 2]"
48 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 GLY N -48.60 40.00 -26.04 -52.19 19.58 3.59 5 0 "[ . 1 . 2]"
49 . 1 35 ALA C 1 36 SER N 1 36 SER CA 1 36 SER C 162.70 -57.30 -125.00 -159.67 -54.37 2.93 15 0 "[ . 1 . 2]"
50 . 1 36 SER N 1 36 SER CA 1 36 SER C 1 37 LEU N 108.70 -167.90 156.32 156.19 154.55 . . 0 "[ . 1 . 2]"
51 . 1 36 SER C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -127.80 -35.60 -89.49 -114.79 -79.33 . . 0 "[ . 1 . 2]"
52 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 ILE N 122.90 -167.30 169.16 168.50 168.05 . . 0 "[ . 1 . 2]"
53 . 1 37 LEU C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -139.70 -25.10 -74.35 -79.46 -67.88 . . 0 "[ . 1 . 2]"
54 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 PRO N 83.50 -158.50 149.68 147.54 145.74 . . 0 "[ . 1 . 2]"
55 . 1 38 ILE C 1 39 PRO N 1 39 PRO CA 1 39 PRO C -74.80 -34.80 -49.51 -52.68 -45.25 . . 0 "[ . 1 . 2]"
56 . 1 39 PRO N 1 39 PRO CA 1 39 PRO C 1 40 ALA N -51.80 -10.20 -38.97 -27.07 -33.46 . . 0 "[ . 1 . 2]"
57 . 1 39 PRO C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -84.70 -44.70 -71.89 -76.91 -66.13 . . 0 "[ . 1 . 2]"
58 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 ALA N -50.00 -10.00 -24.99 -32.00 -19.55 . . 0 "[ . 1 . 2]"
59 . 1 40 ALA C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -89.20 -49.20 -66.96 -79.33 -59.94 . . 0 "[ . 1 . 2]"
60 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 TYR N -56.20 -16.20 -40.82 -48.94 -32.82 . . 0 "[ . 1 . 2]"
61 . 1 41 ALA C 1 42 TYR N 1 42 TYR CA 1 42 TYR C -83.10 -43.10 -56.96 -57.68 -58.31 . . 0 "[ . 1 . 2]"
62 . 1 42 TYR N 1 42 TYR CA 1 42 TYR C 1 43 GLU N -60.60 -20.60 -41.63 -47.57 -37.18 . . 0 "[ . 1 . 2]"
63 . 1 42 TYR C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -83.00 -43.00 -58.95 -58.32 -58.97 . . 0 "[ . 1 . 2]"
64 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 ILE N -63.80 -23.80 -45.42 -45.01 -46.27 . . 0 "[ . 1 . 2]"
65 . 1 43 GLU C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -85.00 -45.00 -63.22 -58.14 -59.79 . . 0 "[ . 1 . 2]"
66 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 LEU N -65.20 -25.20 -46.60 -52.88 -37.76 . . 0 "[ . 1 . 2]"
67 . 1 44 ILE C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -83.10 -43.10 -57.07 -56.64 -58.51 . . 0 "[ . 1 . 2]"
68 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 ASN N -60.00 -20.00 -44.36 -51.48 -40.06 . . 0 "[ . 1 . 2]"
69 . 1 45 LEU C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -85.20 -45.20 -55.25 -55.79 -56.45 . . 0 "[ . 1 . 2]"
70 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 ARG N -61.40 -21.40 -41.07 -48.09 -35.47 . . 0 "[ . 1 . 2]"
71 . 1 46 ASN C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -86.00 -46.00 -72.62 -79.84 -66.20 . . 0 "[ . 1 . 2]"
72 . 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 VAL N -58.60 -18.60 -33.19 -42.35 -22.12 . . 0 "[ . 1 . 2]"
73 . 1 47 ARG C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -85.70 -45.70 -66.21 -65.66 -68.09 . . 0 "[ . 1 . 2]"
74 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 ALA N -62.00 -22.00 -44.63 -48.94 -40.65 . . 0 "[ . 1 . 2]"
75 . 1 48 VAL C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -83.40 -43.40 -62.03 -64.50 -59.28 . . 0 "[ . 1 . 2]"
76 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ASP N -61.90 -21.90 -33.06 -36.97 -29.61 . . 0 "[ . 1 . 2]"
77 . 1 49 ALA C 1 50 ASP N 1 50 ASP CA 1 50 ASP C -81.40 -41.40 -60.63 -69.56 -56.16 . . 0 "[ . 1 . 2]"
78 . 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 LYS N -66.10 -26.10 -42.58 -42.29 -43.66 . . 0 "[ . 1 . 2]"
79 . 1 50 ASP C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -83.00 -43.00 -68.36 -73.03 -65.32 . . 0 "[ . 1 . 2]"
80 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 LEU N -61.10 -16.90 -36.71 -41.96 -32.39 . . 0 "[ . 1 . 2]"
81 . 1 51 LYS C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -88.60 -48.60 -64.40 -67.93 -59.03 . . 0 "[ . 1 . 2]"
82 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 LYS N -54.70 -14.70 -37.52 -39.80 -40.83 . . 0 "[ . 1 . 2]"
83 . 1 52 LEU C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -84.20 -44.20 -62.54 -64.06 -65.24 . . 0 "[ . 1 . 2]"
84 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 ALA N -55.20 -15.20 -34.47 -46.19 -27.55 . . 0 "[ . 1 . 2]"
85 . 1 53 LYS C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -117.30 -69.30 -69.17 -71.75 -72.87 1.94 15 0 "[ . 1 . 2]"
86 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 CYS N -44.60 21.40 -22.33 -30.35 -14.66 . . 0 "[ . 1 . 2]"
87 . 1 54 ALA C 1 55 CYS N 1 55 CYS CA 1 55 CYS C 157.10 -62.90 -142.60 -136.90 -138.06 . . 0 "[ . 1 . 2]"
88 . 1 55 CYS N 1 55 CYS CA 1 55 CYS C 1 56 PRO N 47.00 -173.00 78.74 81.81 80.69 . . 0 "[ . 1 . 2]"
89 . 1 56 PRO C 1 57 ASP N 1 57 ASP CA 1 57 ASP C -108.60 -65.40 -92.62 -87.40 -88.47 0.98 9 0 "[ . 1 . 2]"
90 . 1 57 ASP N 1 57 ASP CA 1 57 ASP C 1 58 ALA N -28.00 19.40 -7.04 -21.97 7.34 . . 0 "[ . 1 . 2]"
91 . 1 57 ASP C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -139.40 0.60 -89.68 -96.68 -100.65 . . 0 "[ . 1 . 2]"
92 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 ARG N 102.70 -175.10 144.96 145.54 144.64 . . 0 "[ . 1 . 2]"
93 . 1 58 ALA C 1 59 ARG N 1 59 ARG CA 1 59 ARG C -140.90 -67.70 -108.77 -119.63 -94.15 . . 0 "[ . 1 . 2]"
94 . 1 59 ARG N 1 59 ARG CA 1 59 ARG C 1 60 VAL N 111.00 -173.20 142.12 145.41 144.05 . . 0 "[ . 1 . 2]"
95 . 1 59 ARG C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -150.20 -110.20 -121.93 -125.39 -117.97 . . 0 "[ . 1 . 2]"
96 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 THR N 124.70 164.70 137.06 132.44 147.36 . . 0 "[ . 1 . 2]"
97 . 1 60 VAL C 1 61 THR N 1 61 THR CA 1 61 THR C -147.10 -73.10 -102.96 -99.26 -100.62 . . 0 "[ . 1 . 2]"
98 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 ILE N 101.60 142.00 116.61 112.93 125.37 . . 0 "[ . 1 . 2]"
99 . 1 61 THR C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -119.80 -69.80 -103.23 -103.01 -103.72 . . 0 "[ . 1 . 2]"
100 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 ASN N 100.90 146.50 102.33 99.81 111.93 1.09 10 0 "[ . 1 . 2]"
101 . 1 62 ILE C 1 63 ASN N 1 63 ASN CA 1 63 ASN C -132.80 -80.80 -106.83 -110.54 -103.36 . . 0 "[ . 1 . 2]"
102 . 1 63 ASN N 1 63 ASN CA 1 63 ASN C 1 64 GLY N 120.60 160.60 123.08 119.48 135.67 1.12 4 0 "[ . 1 . 2]"
103 . 1 63 ASN C 1 64 GLY N 1 64 GLY CA 1 64 GLY C 172.90 -82.10 -95.24 -95.74 -96.54 . . 0 "[ . 1 . 2]"
104 . 1 64 GLY N 1 64 GLY CA 1 64 GLY C 1 65 TYR N 115.30 -156.30 154.28 148.36 145.77 . . 0 "[ . 1 . 2]"
105 . 1 64 GLY C 1 65 TYR N 1 65 TYR CA 1 65 TYR C -161.10 -120.70 -132.71 -139.25 -120.52 0.18 19 0 "[ . 1 . 2]"
106 . 1 65 TYR N 1 65 TYR CA 1 65 TYR C 1 66 THR N 128.00 178.20 159.48 169.86 158.48 2.35 19 0 "[ . 1 . 2]"
107 . 1 65 TYR C 1 66 THR N 1 66 THR CA 1 66 THR C 170.70 -61.30 -155.06 -173.74 -132.34 . . 0 "[ . 1 . 2]"
108 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 ASP N 139.80 -170.60 171.15 172.18 170.72 0.23 14 0 "[ . 1 . 2]"
109 . 1 66 THR C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -107.70 -40.90 -82.37 -100.08 -40.41 0.49 14 0 "[ . 1 . 2]"
110 . 1 67 ASP C 1 68 ASN N 1 68 ASN CA 1 68 ASN C -125.80 -52.00 -83.79 -82.29 -84.20 . . 0 "[ . 1 . 2]"
111 . 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 THR N -53.50 32.70 16.96 -11.57 35.46 2.76 7 0 "[ . 1 . 2]"
112 . 1 68 ASN C 1 69 THR N 1 69 THR CA 1 69 THR C -125.10 -38.70 -62.80 -65.60 -70.18 . . 0 "[ . 1 . 2]"
113 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 GLY N -61.80 13.00 -42.38 -46.43 -49.72 . . 0 "[ . 1 . 2]"
114 . 1 70 GLY C 1 71 SER N 1 71 SER CA 1 71 SER C -154.10 -14.10 -90.22 -157.56 -65.88 3.46 13 0 "[ . 1 . 2]"
115 . 1 71 SER C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -82.70 -29.70 -56.28 -55.34 -57.03 . . 0 "[ . 1 . 2]"
116 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 GLY N -61.90 -1.70 -44.27 -61.92 -32.83 0.02 6 0 "[ . 1 . 2]"
117 . 1 73 GLY C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -136.10 -37.50 -105.79 -120.66 -95.66 . . 0 "[ . 1 . 2]"
118 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 ASN N -73.80 18.80 -36.03 -51.28 -16.67 . . 0 "[ . 1 . 2]"
119 . 1 74 ILE C 1 75 ASN N 1 75 ASN CA 1 75 ASN C -88.50 -48.50 -66.96 -89.41 -58.37 0.91 12 0 "[ . 1 . 2]"
120 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 ILE N -60.40 -20.40 -43.89 -54.87 -33.82 . . 0 "[ . 1 . 2]"
121 . 1 75 ASN C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -71.50 -31.50 -59.02 -62.03 -55.31 . . 0 "[ . 1 . 2]"
122 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 PRO N -71.20 -31.20 -53.43 -54.04 -55.17 . . 0 "[ . 1 . 2]"
123 . 1 76 ILE C 1 77 PRO N 1 77 PRO CA 1 77 PRO C -75.60 -35.60 -58.33 -61.17 -52.19 . . 0 "[ . 1 . 2]"
124 . 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 LEU N -61.90 -11.10 -33.12 -32.74 -33.49 . . 0 "[ . 1 . 2]"
125 . 1 77 PRO C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -86.30 -46.30 -69.93 -76.78 -64.34 . . 0 "[ . 1 . 2]"
126 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 SER N -60.50 -20.50 -47.29 -55.78 -31.41 . . 0 "[ . 1 . 2]"
127 . 1 78 LEU C 1 79 SER N 1 79 SER CA 1 79 SER C -84.80 -44.80 -56.92 -48.29 -51.03 . . 0 "[ . 1 . 2]"
128 . 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 ALA N -59.30 -19.30 -40.54 -40.88 -41.70 . . 0 "[ . 1 . 2]"
129 . 1 79 SER C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -86.50 -46.50 -65.16 -64.37 -64.38 . . 0 "[ . 1 . 2]"
130 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 GLN N -61.60 -21.60 -37.42 -36.41 -37.68 . . 0 "[ . 1 . 2]"
131 . 1 80 ALA C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -84.80 -44.80 -62.53 -65.03 -66.06 . . 0 "[ . 1 . 2]"
132 . 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 ARG N -65.20 -25.20 -50.99 -59.06 -42.54 . . 0 "[ . 1 . 2]"
133 . 1 81 GLN C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -82.30 -42.30 -56.39 -55.66 -56.54 . . 0 "[ . 1 . 2]"
134 . 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 ALA N -61.10 -18.30 -40.69 -39.24 -39.56 . . 0 "[ . 1 . 2]"
135 . 1 82 ARG C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -94.00 -39.40 -62.44 -68.57 -56.44 . . 0 "[ . 1 . 2]"
136 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 LYS N -59.40 -19.40 -42.35 -41.95 -42.46 . . 0 "[ . 1 . 2]"
137 . 1 83 ALA C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -83.20 -43.20 -61.34 -61.49 -61.63 . . 0 "[ . 1 . 2]"
138 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 ILE N -64.90 -24.90 -34.65 -41.04 -28.27 . . 0 "[ . 1 . 2]"
139 . 1 84 LYS C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -84.70 -44.70 -59.63 -64.43 -57.16 . . 0 "[ . 1 . 2]"
140 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 VAL N -62.60 -22.60 -42.04 -45.82 -38.09 . . 0 "[ . 1 . 2]"
141 . 1 85 ILE C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -83.70 -43.70 -66.45 -64.59 -65.64 . . 0 "[ . 1 . 2]"
142 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 ALA N -62.40 -22.40 -45.46 -44.38 -45.14 . . 0 "[ . 1 . 2]"
143 . 1 86 VAL C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -82.20 -42.20 -57.69 -58.06 -58.39 . . 0 "[ . 1 . 2]"
144 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 ASP N -62.40 -22.40 -46.45 -52.68 -38.11 . . 0 "[ . 1 . 2]"
145 . 1 87 ALA C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -85.90 -45.90 -61.03 -63.12 -58.79 . . 0 "[ . 1 . 2]"
146 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 TYR N -56.70 -15.50 -42.09 -40.96 -42.04 . . 0 "[ . 1 . 2]"
147 . 1 88 ASP C 1 89 TYR N 1 89 TYR CA 1 89 TYR C -86.60 -41.20 -63.65 -67.61 -58.76 . . 0 "[ . 1 . 2]"
148 . 1 89 TYR N 1 89 TYR CA 1 89 TYR C 1 90 LEU N -64.40 -21.20 -39.20 -37.08 -37.56 . . 0 "[ . 1 . 2]"
149 . 1 89 TYR C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -84.60 -44.60 -66.58 -71.65 -62.60 . . 0 "[ . 1 . 2]"
150 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 VAL N -57.70 -17.70 -41.24 -37.47 -38.75 . . 0 "[ . 1 . 2]"
151 . 1 90 LEU C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -86.10 -46.10 -61.80 -64.46 -58.27 . . 0 "[ . 1 . 2]"
152 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 ALA N -61.30 -21.30 -33.52 -31.63 -32.45 . . 0 "[ . 1 . 2]"
153 . 1 91 VAL C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -84.20 -44.20 -67.66 -67.21 -68.61 . . 0 "[ . 1 . 2]"
154 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 ARG N -48.80 -8.80 -23.51 -33.18 -13.45 . . 0 "[ . 1 . 2]"
155 . 1 92 ALA C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -108.60 -68.60 -87.00 -92.00 -95.85 . . 0 "[ . 1 . 2]"
156 . 1 93 ARG N 1 93 ARG CA 1 93 ARG C 1 94 GLY N -14.40 25.60 -0.48 -3.93 4.96 . . 0 "[ . 1 . 2]"
157 . 1 94 GLY C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -108.80 -55.80 -74.40 -72.28 -73.47 0.29 4 0 "[ . 1 . 2]"
158 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 ALA N 108.20 151.20 133.50 127.32 140.14 . . 0 "[ . 1 . 2]"
159 . 1 95 VAL C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -140.90 -0.90 -66.55 -76.15 -58.98 . . 0 "[ . 1 . 2]"
160 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 GLY N 80.90 -150.90 116.10 131.82 123.84 . . 0 "[ . 1 . 2]"
161 . 1 96 ALA C 1 97 GLY N 1 97 GLY CA 1 97 GLY C -79.20 -39.20 -62.40 -63.41 -64.14 . . 0 "[ . 1 . 2]"
162 . 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 ASP N -54.60 -14.60 -18.35 -15.72 -16.34 0.88 2 0 "[ . 1 . 2]"
163 . 1 97 GLY C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -106.20 -60.40 -72.98 -80.46 -66.62 . . 0 "[ . 1 . 2]"
164 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 HIS N -23.70 26.10 -18.66 -24.86 -8.06 1.16 18 0 "[ . 1 . 2]"
165 . 1 99 HIS C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -165.00 -85.60 -113.48 -115.22 -109.07 . . 0 "[ . 1 . 2]"
166 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 ALA N 113.50 153.50 117.98 122.07 121.70 0.77 16 0 "[ . 1 . 2]"
167 . 1 100 ILE C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -152.90 -98.10 -107.72 -113.76 -101.61 . . 0 "[ . 1 . 2]"
168 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 THR N 121.70 170.50 138.46 129.78 149.20 . . 0 "[ . 1 . 2]"
169 . 1 101 ALA C 1 102 THR N 1 102 THR CA 1 102 THR C -149.10 -90.30 -117.61 -130.58 -107.98 . . 0 "[ . 1 . 2]"
170 . 1 102 THR N 1 102 THR CA 1 102 THR C 1 103 VAL N 112.40 157.60 127.00 127.59 126.79 . . 0 "[ . 1 . 2]"
171 . 1 102 THR C 1 103 VAL N 1 103 VAL CA 1 103 VAL C -147.30 -84.10 -128.01 -133.61 -122.97 . . 0 "[ . 1 . 2]"
172 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 GLY N 97.60 175.60 136.89 135.54 134.95 . . 0 "[ . 1 . 2]"
173 . 1 103 VAL C 1 104 GLY N 1 104 GLY CA 1 104 GLY C -169.40 -29.40 -110.46 -111.39 -112.94 . . 0 "[ . 1 . 2]"
174 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 LEU N 70.00 -156.40 116.97 121.25 120.34 . . 0 "[ . 1 . 2]"
175 . 1 106 GLY C 1 107 SER N 1 107 SER CA 1 107 SER C -140.10 -32.10 -123.76 -140.35 -106.96 0.25 18 0 "[ . 1 . 2]"
176 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 VAL N 89.00 -154.80 93.13 106.80 96.68 2.38 19 0 "[ . 1 . 2]"
177 . 1 107 SER C 1 108 VAL N 1 108 VAL CA 1 108 VAL C -139.70 -66.10 -106.95 -127.02 -93.32 . . 0 "[ . 1 . 2]"
178 . 1 108 VAL N 1 108 VAL CA 1 108 VAL C 1 109 ASN N -45.60 23.00 -37.79 -36.79 -37.73 2.07 17 0 "[ . 1 . 2]"
179 . 1 108 VAL C 1 109 ASN N 1 109 ASN CA 1 109 ASN C 174.70 -46.70 -143.61 -155.10 -131.14 . . 0 "[ . 1 . 2]"
180 . 1 109 ASN N 1 109 ASN CA 1 109 ASN C 1 110 PRO N 31.30 171.30 93.88 79.28 100.70 . . 0 "[ . 1 . 2]"
181 . 1 111 ILE C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -149.00 -107.60 -145.35 -150.49 -133.16 1.49 13 0 "[ . 1 . 2]"
182 . 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 SER N 124.10 166.30 164.84 150.10 168.12 1.82 5 0 "[ . 1 . 2]"
183 . 1 112 ALA C 1 113 SER N 1 113 SER CA 1 113 SER C -100.20 -60.20 -71.06 -59.92 -63.62 0.28 2 0 "[ . 1 . 2]"
184 . 1 113 SER N 1 113 SER CA 1 113 SER C 1 114 ASN N 93.60 158.80 132.13 123.47 122.42 . . 0 "[ . 1 . 2]"
185 . 1 113 SER C 1 114 ASN N 1 114 ASN CA 1 114 ASN C -83.20 -43.20 -80.19 -83.98 -72.34 0.78 14 0 "[ . 1 . 2]"
186 . 1 114 ASN N 1 114 ASN CA 1 114 ASN C 1 115 ALA N -51.20 -9.00 -7.23 -8.37 -9.23 3.04 13 0 "[ . 1 . 2]"
187 . 1 114 ASN C 1 115 ALA N 1 115 ALA CA 1 115 ALA C -111.70 -54.50 -74.79 -89.39 -61.15 . . 0 "[ . 1 . 2]"
188 . 1 115 ALA N 1 115 ALA CA 1 115 ALA C 1 116 THR N -64.30 18.10 -17.82 -29.88 -2.36 . . 0 "[ . 1 . 2]"
189 . 1 115 ALA C 1 116 THR N 1 116 THR CA 1 116 THR C -177.80 -89.00 -115.11 -112.51 -115.18 . . 0 "[ . 1 . 2]"
190 . 1 116 THR N 1 116 THR CA 1 116 THR C 1 117 PRO N 43.40 -176.60 142.28 143.99 141.15 . . 0 "[ . 1 . 2]"
191 . 1 116 THR C 1 117 PRO N 1 117 PRO CA 1 117 PRO C -76.00 -36.00 -60.48 -59.81 -62.11 . . 0 "[ . 1 . 2]"
192 . 1 117 PRO N 1 117 PRO CA 1 117 PRO C 1 118 GLU N -53.00 -13.00 -34.09 -44.75 -22.84 . . 0 "[ . 1 . 2]"
193 . 1 117 PRO C 1 118 GLU N 1 118 GLU CA 1 118 GLU C -86.70 -46.70 -66.63 -64.02 -65.89 . . 0 "[ . 1 . 2]"
194 . 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 GLY N -56.90 -16.90 -46.36 -49.75 -51.22 . . 0 "[ . 1 . 2]"
195 . 1 118 GLU C 1 119 GLY N 1 119 GLY CA 1 119 GLY C -88.60 -48.60 -66.28 -76.34 -59.71 . . 0 "[ . 1 . 2]"
196 . 1 119 GLY N 1 119 GLY CA 1 119 GLY C 1 120 ARG N -59.80 -19.80 -41.19 -45.82 -36.48 . . 0 "[ . 1 . 2]"
197 . 1 119 GLY C 1 120 ARG N 1 120 ARG CA 1 120 ARG C -80.70 -40.70 -55.79 -61.39 -49.78 . . 0 "[ . 1 . 2]"
198 . 1 120 ARG N 1 120 ARG CA 1 120 ARG C 1 121 ALA N -65.40 -22.40 -39.04 -45.37 -32.50 . . 0 "[ . 1 . 2]"
199 . 1 120 ARG C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -83.70 -43.70 -70.27 -81.75 -63.13 . . 0 "[ . 1 . 2]"
200 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 LYS N -63.40 -4.20 -21.85 -29.57 -12.01 . . 0 "[ . 1 . 2]"
201 . 1 121 ALA C 1 122 LYS N 1 122 LYS CA 1 122 LYS C -86.70 -45.90 -84.00 -76.36 -79.66 3.13 16 0 "[ . 1 . 2]"
202 . 1 122 LYS N 1 122 LYS CA 1 122 LYS C 1 123 ASN N -53.50 -13.50 -32.75 -31.64 -33.77 . . 0 "[ . 1 . 2]"
203 . 1 122 LYS C 1 123 ASN N 1 123 ASN CA 1 123 ASN C -121.30 -43.10 -68.95 -77.08 -59.11 . . 0 "[ . 1 . 2]"
204 . 1 123 ASN N 1 123 ASN CA 1 123 ASN C 1 124 ARG N -61.30 23.50 -13.30 -17.82 -20.93 . . 0 "[ . 1 . 2]"
205 . 1 125 ARG N 1 125 ARG CA 1 125 ARG C 1 126 VAL N 124.00 175.00 171.11 172.70 171.94 0.81 8 0 "[ . 1 . 2]"
206 . 1 125 ARG C 1 126 VAL N 1 126 VAL CA 1 126 VAL C -156.60 -109.60 -128.82 -134.28 -123.46 . . 0 "[ . 1 . 2]"
207 . 1 126 VAL N 1 126 VAL CA 1 126 VAL C 1 127 GLU N 127.70 176.70 139.63 140.78 139.79 . . 0 "[ . 1 . 2]"
208 . 1 126 VAL C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -150.70 -110.70 -121.39 -121.74 -122.93 0.59 13 0 "[ . 1 . 2]"
209 . 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 ILE N 121.90 165.90 138.17 121.83 147.13 0.07 7 0 "[ . 1 . 2]"
210 . 1 127 GLU C 1 128 ILE N 1 128 ILE CA 1 128 ILE C -142.80 -67.20 -113.96 -130.88 -95.43 . . 0 "[ . 1 . 2]"
211 . 1 128 ILE N 1 128 ILE CA 1 128 ILE C 1 129 VAL N 101.70 141.70 113.45 106.48 122.30 . . 0 "[ . 1 . 2]"
212 . 1 128 ILE C 1 129 VAL N 1 129 VAL CA 1 129 VAL C -140.20 -91.80 -114.94 -115.62 -115.66 . . 0 "[ . 1 . 2]"
213 . 1 129 VAL N 1 129 VAL CA 1 129 VAL C 1 130 VAL N 110.40 150.40 135.89 146.44 146.17 . . 0 "[ . 1 . 2]"
214 . 1 129 VAL C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -142.00 -84.60 -88.83 -84.18 -84.26 0.49 2 0 "[ . 1 . 2]"
215 . 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 ASN N 103.20 156.80 135.50 127.87 126.07 . . 0 "[ . 1 . 2]"
216 . 1 130 VAL C 1 131 ASN N 1 131 ASN CA 1 131 ASN C -144.40 -43.20 -103.23 -136.81 -50.07 . . 0 "[ . 1 . 2]"
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