NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520088 |
2lba   |
17551 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lba
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 218
_TA_constraint_stats_list.Viol_count 338
_TA_constraint_stats_list.Viol_total 9281.08
_TA_constraint_stats_list.Viol_max 6.35
_TA_constraint_stats_list.Viol_rms 0.51
_TA_constraint_stats_list.Viol_average_all_restraints 0.11
_TA_constraint_stats_list.Viol_average_violations_only 1.37
_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 PHI 1 6 ALA C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -129.70 -58.20 -89.00 -102.30 -62.50 . . 0 "[ . 1 . 2]"
2 PSI 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 THR N -58.70 39.30 -25.22 -30.88 -36.82 . . 0 "[ . 1 . 2]"
3 PHI 1 7 PHE C 1 8 THR N 1 8 THR CA 1 8 THR C -131.80 -31.10 -61.84 -68.08 -55.20 . . 0 "[ . 1 . 2]"
4 PSI 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 GLY N 113.80 169.60 141.01 136.86 127.84 . . 0 "[ . 1 . 2]"
5 PHI 1 9 GLY C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -143.90 -94.90 -97.19 -101.99 -93.59 1.31 1 0 "[ . 1 . 2]"
6 PSI 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 TYR N 116.70 165.40 143.34 141.87 141.27 . . 0 "[ . 1 . 2]"
7 PHI 1 10 LYS C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -142.60 -100.90 -126.95 -130.44 -123.40 . . 0 "[ . 1 . 2]"
8 PSI 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 GLU N 102.10 177.10 141.81 141.63 140.70 . . 0 "[ . 1 . 2]"
9 PHI 1 11 TYR C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -157.90 -110.10 -125.48 -122.85 -124.32 . . 0 "[ . 1 . 2]"
10 PSI 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 PHE N 112.80 158.50 150.13 146.26 144.61 0.69 7 0 "[ . 1 . 2]"
11 PHI 1 12 GLU C 1 13 PHE N 1 13 PHE CA 1 13 PHE C -161.60 -34.10 -50.68 -63.50 -45.59 . . 0 "[ . 1 . 2]"
12 PSI 1 13 PHE N 1 13 PHE CA 1 13 PHE C 1 14 GLU N 107.00 147.00 122.14 108.99 135.68 . . 0 "[ . 1 . 2]"
13 PHI 1 13 PHE C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -140.20 -57.20 -118.18 -117.65 -119.51 . . 0 "[ . 1 . 2]"
14 PSI 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 SER N -57.20 -17.20 -51.34 -50.87 -51.54 0.19 4 0 "[ . 1 . 2]"
15 PHI 1 14 GLU C 1 15 SER N 1 15 SER CA 1 15 SER C 172.20 -128.90 -152.25 -161.56 -145.53 . . 0 "[ . 1 . 2]"
16 PSI 1 15 SER N 1 15 SER CA 1 15 SER C 1 16 ASP N 142.50 -177.50 163.17 144.28 174.35 . . 0 "[ . 1 . 2]"
17 PHI 1 15 SER C 1 16 ASP N 1 16 ASP CA 1 16 ASP C 179.50 -94.90 -151.11 -148.47 -150.87 . . 0 "[ . 1 . 2]"
18 PSI 1 16 ASP N 1 16 ASP CA 1 16 ASP C 1 17 GLU N 133.30 173.30 157.15 149.59 169.17 . . 0 "[ . 1 . 2]"
19 PHI 1 16 ASP C 1 17 GLU N 1 17 GLU CA 1 17 GLU C 177.00 -96.30 -146.65 -141.31 -144.43 . . 0 "[ . 1 . 2]"
20 PSI 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 ASN N 135.10 175.10 139.07 139.11 138.72 0.58 20 0 "[ . 1 . 2]"
21 PHI 1 18 ASN C 1 19 TYR N 1 19 TYR CA 1 19 TYR C -82.30 -42.30 -66.33 -77.18 -58.50 . . 0 "[ . 1 . 2]"
22 PSI 1 19 TYR N 1 19 TYR CA 1 19 TYR C 1 20 ASP N -67.50 -27.50 -59.52 -58.74 -59.00 1.32 16 0 "[ . 1 . 2]"
23 PHI 1 19 TYR C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -78.60 -38.60 -59.25 -58.63 -60.40 . . 0 "[ . 1 . 2]"
24 PSI 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 ASP N -63.80 -23.80 -40.80 -46.27 -35.57 . . 0 "[ . 1 . 2]"
25 PHI 1 20 ASP C 1 21 ASP N 1 21 ASP CA 1 21 ASP C -84.50 -44.50 -61.88 -61.25 -61.72 . . 0 "[ . 1 . 2]"
26 PSI 1 21 ASP N 1 21 ASP CA 1 21 ASP C 1 22 PHE N -62.50 -22.50 -41.82 -40.91 -42.34 . . 0 "[ . 1 . 2]"
27 PHI 1 21 ASP C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -84.60 -44.60 -65.83 -69.60 -61.77 . . 0 "[ . 1 . 2]"
28 PSI 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 VAL N -62.30 -22.30 -54.16 -52.78 -52.97 . . 0 "[ . 1 . 2]"
29 PHI 1 22 PHE C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -85.30 -45.30 -61.51 -64.42 -59.22 . . 0 "[ . 1 . 2]"
30 PSI 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 LYS N -54.70 -9.00 -36.77 -39.60 -34.36 . . 0 "[ . 1 . 2]"
31 PHI 1 23 VAL C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -87.10 -47.10 -72.14 -77.62 -67.03 . . 0 "[ . 1 . 2]"
32 PSI 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 LYS N -60.00 -20.00 -27.14 -32.38 -22.13 . . 0 "[ . 1 . 2]"
33 PHI 1 24 LYS C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -80.80 -40.80 -78.55 -76.56 -77.45 1.62 1 0 "[ . 1 . 2]"
34 PSI 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 ILE N -58.30 -18.30 -45.78 -46.13 -46.52 . . 0 "[ . 1 . 2]"
35 PHI 1 25 LYS C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -110.90 -68.90 -74.04 -80.97 -68.69 0.21 18 0 "[ . 1 . 2]"
36 PSI 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 GLY N -19.20 24.20 -11.81 -18.94 -3.81 . . 0 "[ . 1 . 2]"
37 PHI 1 26 ILE C 1 27 GLY N 1 27 GLY CA 1 27 GLY C 63.10 128.50 80.59 77.02 75.73 . . 0 "[ . 1 . 2]"
38 PSI 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 LEU N -24.00 39.30 34.68 28.49 39.82 0.52 4 0 "[ . 1 . 2]"
39 PHI 1 27 GLY C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -131.60 -43.60 -70.55 -69.83 -70.91 . . 0 "[ . 1 . 2]"
40 PSI 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 PRO N 83.10 171.40 133.80 135.24 134.83 . . 0 "[ . 1 . 2]"
41 PSI 1 29 PRO N 1 29 PRO CA 1 29 PRO C 1 30 ALA N 126.70 166.70 140.50 136.22 145.59 . . 0 "[ . 1 . 2]"
42 PHI 1 29 PRO C 1 30 ALA N 1 30 ALA CA 1 30 ALA C -69.50 -29.50 -53.82 -56.44 -50.91 . . 0 "[ . 1 . 2]"
43 PSI 1 30 ALA N 1 30 ALA CA 1 30 ALA C 1 31 ASP N -65.10 -22.70 -36.26 -37.96 -38.22 . . 0 "[ . 1 . 2]"
44 PHI 1 30 ALA C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -83.80 -43.80 -56.62 -55.84 -56.58 . . 0 "[ . 1 . 2]"
45 PSI 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 LYS N -58.70 -18.70 -40.31 -45.97 -32.81 . . 0 "[ . 1 . 2]"
46 PHI 1 31 ASP C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -87.10 -47.10 -88.43 -90.63 -86.49 3.53 7 0 "[ . 1 . 2]"
47 PSI 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 ILE N -62.30 -22.30 -31.27 -32.44 -32.95 . . 0 "[ . 1 . 2]"
48 PHI 1 32 LYS C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -81.40 -41.40 -58.32 -62.37 -55.52 . . 0 "[ . 1 . 2]"
49 PSI 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 GLU N -61.40 -21.40 -57.93 -61.25 -62.04 0.64 1 0 "[ . 1 . 2]"
50 PHI 1 33 ILE C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -85.30 -45.30 -66.75 -67.65 -68.28 . . 0 "[ . 1 . 2]"
51 PSI 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 MET N -63.90 -19.00 -27.38 -36.43 -18.34 0.66 20 0 "[ . 1 . 2]"
52 PHI 1 34 GLU C 1 35 MET N 1 35 MET CA 1 35 MET C -84.20 -44.20 -72.23 -75.01 -75.91 0.84 20 0 "[ . 1 . 2]"
53 PSI 1 35 MET N 1 35 MET CA 1 35 MET C 1 36 GLY N -55.00 -15.00 -35.85 -38.77 -40.04 . . 0 "[ . 1 . 2]"
54 PHI 1 36 GLY C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -135.90 -12.00 -109.02 -114.18 -119.90 . . 0 "[ . 1 . 2]"
55 PSI 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 ASN N 105.30 145.30 131.33 103.66 145.80 1.64 13 0 "[ . 1 . 2]"
56 PHI 1 37 ARG C 1 38 ASN N 1 38 ASN CA 1 38 ASN C 57.50 106.80 61.32 56.37 66.23 1.13 13 0 "[ . 1 . 2]"
57 PSI 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 CYS N -26.10 26.90 21.56 23.49 22.51 1.23 13 0 "[ . 1 . 2]"
58 PHI 1 38 ASN C 1 39 CYS N 1 39 CYS CA 1 39 CYS C -162.00 -38.20 -91.20 -98.80 -99.56 . . 0 "[ . 1 . 2]"
59 PSI 1 39 CYS N 1 39 CYS CA 1 39 CYS C 1 40 LYS N 102.60 170.60 150.53 153.52 152.22 . . 0 "[ . 1 . 2]"
60 PHI 1 39 CYS C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -103.30 -63.30 -81.84 -93.91 -70.56 . . 0 "[ . 1 . 2]"
61 PSI 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 ILE N 68.40 169.50 88.00 84.69 83.08 . . 0 "[ . 1 . 2]"
62 PHI 1 40 LYS C 1 41 ILE N 1 41 ILE CA 1 41 ILE C -130.50 -55.20 -87.44 -102.17 -77.53 . . 0 "[ . 1 . 2]"
63 PSI 1 41 ILE N 1 41 ILE CA 1 41 ILE C 1 42 VAL N 110.20 150.20 122.96 111.38 136.16 . . 0 "[ . 1 . 2]"
64 PHI 1 41 ILE C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -144.10 -72.30 -97.06 -94.68 -96.23 . . 0 "[ . 1 . 2]"
65 PSI 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 THR N 103.10 156.60 130.13 127.86 126.68 . . 0 "[ . 1 . 2]"
66 PHI 1 42 VAL C 1 43 THR N 1 43 THR CA 1 43 THR C -130.20 -90.20 -113.83 -122.43 -103.37 . . 0 "[ . 1 . 2]"
67 PSI 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 GLU N 106.40 146.40 107.14 106.79 106.25 1.58 11 0 "[ . 1 . 2]"
68 PHI 1 43 THR C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -134.30 -94.30 -97.30 -102.16 -93.99 0.31 1 0 "[ . 1 . 2]"
69 PSI 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 VAL N 110.70 150.70 116.26 110.58 121.65 0.12 2 0 "[ . 1 . 2]"
70 PHI 1 44 GLU C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -134.60 -94.60 -110.47 -116.46 -103.75 . . 0 "[ . 1 . 2]"
71 PSI 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 VAL N 111.40 151.40 127.45 121.92 135.14 . . 0 "[ . 1 . 2]"
72 PHI 1 45 VAL C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -144.80 -82.50 -114.97 -123.01 -106.64 . . 0 "[ . 1 . 2]"
73 PSI 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 GLN N 100.50 140.50 131.13 136.19 134.90 . . 0 "[ . 1 . 2]"
74 PHI 1 46 VAL C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -138.60 -83.10 -91.80 -106.99 -81.82 1.28 4 0 "[ . 1 . 2]"
75 PSI 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 ASN N 100.60 140.60 117.75 115.27 112.68 . . 0 "[ . 1 . 2]"
76 PHI 1 47 GLN C 1 48 ASN N 1 48 ASN CA 1 48 ASN C -156.70 -76.30 -131.82 -128.16 -129.45 . . 0 "[ . 1 . 2]"
77 PSI 1 48 ASN N 1 48 ASN CA 1 48 ASN C 1 49 GLY N 74.90 147.80 76.77 78.86 76.43 4.77 12 0 "[ . 1 . 2]"
78 PHI 1 48 ASN C 1 49 GLY N 1 49 GLY CA 1 49 GLY C -0.20 139.80 71.68 72.77 71.36 . . 0 "[ . 1 . 2]"
79 PSI 1 49 GLY N 1 49 GLY CA 1 49 GLY C 1 50 ASN N 167.50 -67.00 -99.14 -96.90 -99.37 . . 0 "[ . 1 . 2]"
80 PHI 1 50 ASN C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -157.30 -53.50 -103.11 -96.92 -99.66 . . 0 "[ . 1 . 2]"
81 PSI 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 PHE N 111.70 151.70 111.32 108.97 108.53 3.35 1 0 "[ . 1 . 2]"
82 PHI 1 51 ASP C 1 52 PHE N 1 52 PHE CA 1 52 PHE C -153.70 -89.20 -107.33 -120.67 -100.02 . . 0 "[ . 1 . 2]"
83 PSI 1 52 PHE N 1 52 PHE CA 1 52 PHE C 1 53 THR N 128.90 168.90 133.28 142.38 138.01 1.48 20 0 "[ . 1 . 2]"
84 PHI 1 52 PHE C 1 53 THR N 1 53 THR CA 1 53 THR C -169.80 -73.60 -97.39 -112.32 -89.40 . . 0 "[ . 1 . 2]"
85 PSI 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 TRP N 105.00 145.00 128.12 129.10 126.39 . . 0 "[ . 1 . 2]"
86 PHI 1 53 THR C 1 54 TRP N 1 54 TRP CA 1 54 TRP C -137.70 -81.90 -108.21 -121.38 -99.14 . . 0 "[ . 1 . 2]"
87 PSI 1 54 TRP N 1 54 TRP CA 1 54 TRP C 1 55 THR N 103.10 143.10 102.24 99.60 109.25 3.50 2 0 "[ . 1 . 2]"
88 PHI 1 54 TRP C 1 55 THR N 1 55 THR CA 1 55 THR C -148.60 -87.40 -104.84 -111.36 -101.03 . . 0 "[ . 1 . 2]"
89 PSI 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 GLN N 108.90 154.00 117.46 107.51 132.61 1.39 13 0 "[ . 1 . 2]"
90 PHI 1 55 THR C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -150.00 -59.30 -106.06 -105.70 -107.46 . . 0 "[ . 1 . 2]"
91 PSI 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 HIS N 120.40 160.40 117.98 117.69 117.37 4.49 12 0 "[ . 1 . 2]"
92 PHI 1 56 GLN C 1 57 HIS N 1 57 HIS CA 1 57 HIS C -157.40 -76.60 -104.47 -108.25 -101.24 . . 0 "[ . 1 . 2]"
93 PSI 1 57 HIS N 1 57 HIS CA 1 57 HIS C 1 58 PHE N 90.20 138.60 127.49 119.63 135.57 . . 0 "[ . 1 . 2]"
94 PHI 1 57 HIS C 1 58 PHE N 1 58 PHE CA 1 58 PHE C -117.50 -50.50 -103.99 -102.23 -105.57 . . 0 "[ . 1 . 2]"
95 PSI 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 PRO N 106.10 161.10 127.54 129.94 126.09 . . 0 "[ . 1 . 2]"
96 PSI 1 59 PRO N 1 59 PRO CA 1 59 PRO C 1 60 GLY N 116.90 156.90 114.06 111.96 115.44 4.94 20 0 "[ . 1 . 2]"
97 PHI 1 60 GLY C 1 61 GLY N 1 61 GLY CA 1 61 GLY C -146.60 -6.60 -144.85 -147.95 -135.13 1.35 15 0 "[ . 1 . 2]"
98 PSI 1 61 GLY N 1 61 GLY CA 1 61 GLY C 1 62 ARG N 99.40 -165.80 -166.89 -164.68 -165.15 1.42 2 0 "[ . 1 . 2]"
99 PHI 1 61 GLY C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -134.40 -45.90 -72.59 -72.41 -73.42 . . 0 "[ . 1 . 2]"
100 PSI 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 THR N 106.70 146.70 146.49 145.92 145.81 5.83 12 1 "[ . 1 + . 2]"
101 PHI 1 62 ARG C 1 63 THR N 1 63 THR CA 1 63 THR C -147.20 -71.90 -101.86 -119.53 -88.54 . . 0 "[ . 1 . 2]"
102 PSI 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 THR N 100.80 160.00 158.39 149.23 161.70 1.70 1 0 "[ . 1 . 2]"
103 PHI 1 63 THR C 1 64 THR N 1 64 THR CA 1 64 THR C -154.60 -68.70 -138.51 -141.25 -143.27 . . 0 "[ . 1 . 2]"
104 PSI 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 THR N 104.10 145.00 122.34 136.70 132.42 . . 0 "[ . 1 . 2]"
105 PHI 1 64 THR C 1 65 THR N 1 65 THR CA 1 65 THR C -150.20 -84.10 -128.44 -147.17 -105.75 . . 0 "[ . 1 . 2]"
106 PSI 1 65 THR N 1 65 THR CA 1 65 THR C 1 66 ASN N 108.70 148.80 123.68 119.62 119.14 . . 0 "[ . 1 . 2]"
107 PHI 1 65 THR C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -154.60 -92.20 -130.46 -126.26 -129.19 . . 0 "[ . 1 . 2]"
108 PSI 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 SER N 117.00 173.50 134.51 122.01 116.72 1.27 18 0 "[ . 1 . 2]"
109 PHI 1 66 ASN C 1 67 SER N 1 67 SER CA 1 67 SER C 178.80 -98.60 -112.59 -135.10 -97.16 1.44 1 0 "[ . 1 . 2]"
110 PSI 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 PHE N 100.90 -170.60 130.81 121.04 147.57 . . 0 "[ . 1 . 2]"
111 PHI 1 67 SER C 1 68 PHE N 1 68 PHE CA 1 68 PHE C -160.50 -82.90 -135.36 -142.75 -145.11 . . 0 "[ . 1 . 2]"
112 PSI 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 THR N 79.30 178.50 142.79 135.24 151.97 . . 0 "[ . 1 . 2]"
113 PHI 1 68 PHE C 1 69 THR N 1 69 THR CA 1 69 THR C -132.30 -91.70 -109.30 -120.97 -103.36 . . 0 "[ . 1 . 2]"
114 PSI 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 ILE N 96.70 154.70 129.61 125.74 124.81 . . 0 "[ . 1 . 2]"
115 PHI 1 70 ILE C 1 71 ASP N 1 71 ASP CA 1 71 ASP C 42.00 87.90 73.46 70.17 78.01 . . 0 "[ . 1 . 2]"
116 PSI 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 LYS N -31.00 81.00 23.22 17.60 29.36 . . 0 "[ . 1 . 2]"
117 PHI 1 71 ASP C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -136.60 -70.00 -137.06 -137.39 -137.68 2.76 6 0 "[ . 1 . 2]"
118 PSI 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 GLU N 104.70 153.50 144.56 146.15 144.90 . . 0 "[ . 1 . 2]"
119 PHI 1 72 LYS C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -141.10 -41.40 -73.09 -83.51 -66.95 . . 0 "[ . 1 . 2]"
120 PSI 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 ALA N 101.00 150.60 133.71 133.88 130.84 0.42 10 0 "[ . 1 . 2]"
121 PHI 1 73 GLU C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -162.30 -103.30 -125.69 -137.64 -111.88 . . 0 "[ . 1 . 2]"
122 PSI 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 ASP N 118.40 173.80 152.38 156.25 154.40 . . 0 "[ . 1 . 2]"
123 PHI 1 74 ALA C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -124.40 -73.20 -87.94 -102.65 -73.50 . . 0 "[ . 1 . 2]"
124 PSI 1 75 ASP N 1 75 ASP CA 1 75 ASP C 1 76 MET N 109.20 149.20 118.35 121.20 120.10 . . 0 "[ . 1 . 2]"
125 PHI 1 75 ASP C 1 76 MET N 1 76 MET CA 1 76 MET C -170.60 -52.00 -122.23 -129.34 -115.44 . . 0 "[ . 1 . 2]"
126 PSI 1 76 MET N 1 76 MET CA 1 76 MET C 1 77 GLU N 128.50 168.50 166.11 161.38 170.68 2.18 20 0 "[ . 1 . 2]"
127 PHI 1 76 MET C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -163.50 -98.30 -153.97 -142.07 -148.18 . . 0 "[ . 1 . 2]"
128 PSI 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 THR N 133.50 177.20 142.01 135.17 147.11 . . 0 "[ . 1 . 2]"
129 PHI 1 77 GLU C 1 78 THR N 1 78 THR CA 1 78 THR C -145.80 -45.00 -95.32 -91.27 -95.00 . . 0 "[ . 1 . 2]"
130 PSI 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 MET N 143.80 -171.60 174.08 -178.46 176.27 . . 0 "[ . 1 . 2]"
131 PHI 1 78 THR C 1 79 MET N 1 79 MET CA 1 79 MET C -89.40 -40.50 -76.27 -89.06 -64.12 . . 0 "[ . 1 . 2]"
132 PSI 1 79 MET N 1 79 MET CA 1 79 MET C 1 80 GLY N -52.70 5.90 -8.76 -14.44 -17.52 . . 0 "[ . 1 . 2]"
133 PHI 1 81 GLY C 1 82 ARG N 1 82 ARG CA 1 82 ARG C -124.80 -30.80 -99.83 -103.51 -111.93 . . 0 "[ . 1 . 2]"
134 PSI 1 82 ARG N 1 82 ARG CA 1 82 ARG C 1 83 LYS N 92.80 166.40 122.46 117.85 127.32 . . 0 "[ . 1 . 2]"
135 PHI 1 82 ARG C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -138.60 -64.60 -99.89 -100.43 -100.92 . . 0 "[ . 1 . 2]"
136 PSI 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 PHE N 122.60 167.50 123.54 120.83 129.91 1.77 15 0 "[ . 1 . 2]"
137 PHI 1 83 LYS C 1 84 PHE N 1 84 PHE CA 1 84 PHE C -175.40 -96.80 -158.87 -158.93 -160.18 . . 0 "[ . 1 . 2]"
138 PSI 1 84 PHE N 1 84 PHE CA 1 84 PHE C 1 85 LYS N 136.50 176.50 175.38 176.12 175.88 6.35 17 1 "[ . 1 . + 2]"
139 PHI 1 84 PHE C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -159.20 -97.50 -135.22 -132.37 -132.62 . . 0 "[ . 1 . 2]"
140 PSI 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 ALA N 133.10 173.10 142.92 133.73 154.49 . . 0 "[ . 1 . 2]"
141 PHI 1 85 LYS C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -167.60 -118.50 -150.96 -155.69 -156.69 . . 0 "[ . 1 . 2]"
142 PSI 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 THR N 121.30 161.30 161.76 158.63 164.92 3.62 17 0 "[ . 1 . 2]"
143 PHI 1 86 ALA C 1 87 THR N 1 87 THR CA 1 87 THR C -144.20 -57.90 -100.50 -105.36 -93.30 . . 0 "[ . 1 . 2]"
144 PSI 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 VAL N 100.30 140.30 133.35 122.47 140.63 0.33 19 0 "[ . 1 . 2]"
145 PHI 1 87 THR C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -137.70 -64.00 -116.31 -115.04 -115.97 . . 0 "[ . 1 . 2]"
146 PSI 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 LYS N 103.80 144.70 141.13 142.31 141.13 0.80 3 0 "[ . 1 . 2]"
147 PHI 1 88 VAL C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -166.10 -80.70 -132.57 -140.76 -127.15 . . 0 "[ . 1 . 2]"
148 PSI 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 MET N 103.00 -171.60 177.80 178.47 177.62 . . 0 "[ . 1 . 2]"
149 PHI 1 89 LYS C 1 90 MET N 1 90 MET CA 1 90 MET C -151.60 -92.80 -129.03 -137.50 -120.57 . . 0 "[ . 1 . 2]"
150 PSI 1 90 MET N 1 90 MET CA 1 90 MET C 1 91 GLU N 102.20 157.70 130.16 134.15 133.44 . . 0 "[ . 1 . 2]"
151 PHI 1 90 MET C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -162.90 -77.80 -124.69 -141.02 -110.40 . . 0 "[ . 1 . 2]"
152 PSI 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 GLY N 77.50 162.30 98.10 103.18 96.80 0.79 19 0 "[ . 1 . 2]"
153 PHI 1 93 GLY C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -167.90 -55.60 -125.13 -133.99 -113.26 . . 0 "[ . 1 . 2]"
154 PSI 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ILE N 89.40 -171.70 124.30 111.97 129.77 . . 0 "[ . 1 . 2]"
155 PHI 1 94 LYS C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -135.00 -68.00 -79.83 -82.57 -84.11 . . 0 "[ . 1 . 2]"
156 PSI 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 VAL N 100.50 153.90 114.47 117.28 114.88 . . 0 "[ . 1 . 2]"
157 PHI 1 95 ILE C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -145.20 -105.20 -117.04 -124.91 -111.43 . . 0 "[ . 1 . 2]"
158 PSI 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 ALA N 119.20 159.20 131.46 126.00 136.29 . . 0 "[ . 1 . 2]"
159 PHI 1 96 VAL C 1 97 ALA N 1 97 ALA CA 1 97 ALA C -157.10 -82.90 -110.35 -111.22 -112.80 . . 0 "[ . 1 . 2]"
160 PSI 1 97 ALA N 1 97 ALA CA 1 97 ALA C 1 98 ASP N 117.80 174.20 141.13 140.34 139.59 . . 0 "[ . 1 . 2]"
161 PHI 1 97 ALA C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -161.20 -86.20 -98.04 -91.70 -93.72 . . 0 "[ . 1 . 2]"
162 PSI 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 PHE N 116.60 160.80 122.74 119.53 126.84 . . 0 "[ . 1 . 2]"
163 PHI 1 98 ASP C 1 99 PHE N 1 99 PHE CA 1 99 PHE C 177.90 -42.10 -143.73 -148.80 -137.47 . . 0 "[ . 1 . 2]"
164 PSI 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 PRO N 99.00 -179.80 155.24 151.05 164.92 . . 0 "[ . 1 . 2]"
165 PSI 1 100 PRO N 1 100 PRO CA 1 100 PRO C 1 101 ASN N 114.80 160.60 114.62 111.56 120.79 3.24 11 0 "[ . 1 . 2]"
166 PHI 1 101 ASN C 1 102 TYR N 1 102 TYR CA 1 102 TYR C 168.40 -56.40 -137.83 -143.61 -144.73 . . 0 "[ . 1 . 2]"
167 PSI 1 102 TYR N 1 102 TYR CA 1 102 TYR C 1 103 HIS N 115.60 155.60 126.23 123.02 122.57 . . 0 "[ . 1 . 2]"
168 PHI 1 102 TYR C 1 103 HIS N 1 103 HIS CA 1 103 HIS C -126.30 -84.80 -124.14 -121.13 -122.99 3.26 17 0 "[ . 1 . 2]"
169 PSI 1 103 HIS N 1 103 HIS CA 1 103 HIS C 1 104 HIS N 102.80 147.00 112.30 100.85 123.48 1.95 5 0 "[ . 1 . 2]"
170 PHI 1 103 HIS C 1 104 HIS N 1 104 HIS CA 1 104 HIS C -138.30 -87.10 -112.60 -100.98 -105.32 . . 0 "[ . 1 . 2]"
171 PSI 1 104 HIS N 1 104 HIS CA 1 104 HIS C 1 105 THR N 113.30 153.30 119.68 113.43 128.42 . . 0 "[ . 1 . 2]"
172 PHI 1 104 HIS C 1 105 THR N 1 105 THR CA 1 105 THR C -158.50 -91.50 -128.56 -137.58 -123.02 . . 0 "[ . 1 . 2]"
173 PSI 1 105 THR N 1 105 THR CA 1 105 THR C 1 106 ALA N 129.80 169.80 132.26 148.42 135.60 1.23 12 0 "[ . 1 . 2]"
174 PHI 1 105 THR C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -163.60 -111.20 -118.79 -136.69 -112.63 . . 0 "[ . 1 . 2]"
175 PSI 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 GLU N 120.10 170.60 134.18 134.95 134.14 . . 0 "[ . 1 . 2]"
176 PHI 1 106 ALA C 1 107 GLU N 1 107 GLU CA 1 107 GLU C 178.00 -93.20 -152.98 -150.18 -151.86 . . 0 "[ . 1 . 2]"
177 PSI 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 ILE N 121.10 -175.50 173.72 172.27 171.70 . . 0 "[ . 1 . 2]"
178 PHI 1 107 GLU C 1 108 ILE N 1 108 ILE CA 1 108 ILE C -140.00 -62.50 -112.55 -124.21 -102.89 . . 0 "[ . 1 . 2]"
179 PSI 1 108 ILE N 1 108 ILE CA 1 108 ILE C 1 109 SER N 111.80 153.10 117.86 122.24 119.08 1.06 9 0 "[ . 1 . 2]"
180 PHI 1 111 GLY C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -147.70 -79.30 -131.18 -138.44 -122.31 . . 0 "[ . 1 . 2]"
181 PSI 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 LEU N 127.50 173.80 147.33 146.61 144.95 . . 0 "[ . 1 . 2]"
182 PHI 1 112 LYS C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -166.30 -54.90 -89.37 -89.16 -89.86 . . 0 "[ . 1 . 2]"
183 PSI 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 VAL N 100.60 140.60 118.06 106.44 124.91 . . 0 "[ . 1 . 2]"
184 PHI 1 113 LEU C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -130.90 -79.60 -121.81 -123.13 -123.84 . . 0 "[ . 1 . 2]"
185 PSI 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 GLU N 106.20 146.20 114.83 105.94 122.24 0.26 8 0 "[ . 1 . 2]"
186 PHI 1 114 VAL C 1 115 GLU N 1 115 GLU CA 1 115 GLU C -136.90 -96.90 -101.69 -96.61 -98.29 0.87 15 0 "[ . 1 . 2]"
187 PSI 1 115 GLU N 1 115 GLU CA 1 115 GLU C 1 116 ILE N 108.00 148.00 131.83 131.35 129.94 . . 0 "[ . 1 . 2]"
188 PHI 1 115 GLU C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -134.60 -94.60 -113.61 -125.42 -99.37 . . 0 "[ . 1 . 2]"
189 PSI 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 SER N 100.80 140.80 126.36 123.41 122.74 . . 0 "[ . 1 . 2]"
190 PHI 1 116 ILE C 1 117 SER N 1 117 SER CA 1 117 SER C -140.00 -88.80 -124.61 -130.17 -119.74 . . 0 "[ . 1 . 2]"
191 PSI 1 117 SER N 1 117 SER CA 1 117 SER C 1 118 THR N 105.00 149.90 110.77 114.00 111.32 1.33 8 0 "[ . 1 . 2]"
192 PHI 1 117 SER C 1 118 THR N 1 118 THR CA 1 118 THR C -147.40 -89.50 -97.64 -113.06 -89.05 0.45 5 0 "[ . 1 . 2]"
193 PSI 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 SER N 108.50 157.70 133.05 133.38 132.25 . . 0 "[ . 1 . 2]"
194 PHI 1 118 THR C 1 119 SER N 1 119 SER CA 1 119 SER C -176.80 -75.30 -144.16 -141.78 -144.32 . . 0 "[ . 1 . 2]"
195 PSI 1 119 SER N 1 119 SER CA 1 119 SER C 1 120 SER N 96.60 152.70 110.81 96.09 119.54 0.51 5 0 "[ . 1 . 2]"
196 PHI 1 119 SER C 1 120 SER N 1 120 SER CA 1 120 SER C 32.50 72.50 57.97 54.02 60.98 . . 0 "[ . 1 . 2]"
197 PSI 1 120 SER N 1 120 SER CA 1 120 SER C 1 121 GLY N 22.30 62.30 31.36 30.59 27.71 . . 0 "[ . 1 . 2]"
198 PHI 1 121 GLY C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -136.20 -57.80 -77.22 -74.59 -77.01 . . 0 "[ . 1 . 2]"
199 PSI 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 VAL N 113.50 167.10 123.10 113.40 134.87 0.10 17 0 "[ . 1 . 2]"
200 PHI 1 122 VAL C 1 123 VAL N 1 123 VAL CA 1 123 VAL C -135.10 -93.30 -100.15 -108.98 -93.34 . . 0 "[ . 1 . 2]"
201 PSI 1 123 VAL N 1 123 VAL CA 1 123 VAL C 1 124 TYR N 97.70 146.90 109.54 115.03 111.01 . . 0 "[ . 1 . 2]"
202 PHI 1 123 VAL C 1 124 TYR N 1 124 TYR CA 1 124 TYR C -135.30 -85.00 -95.94 -106.46 -89.10 . . 0 "[ . 1 . 2]"
203 PSI 1 124 TYR N 1 124 TYR CA 1 124 TYR C 1 125 LYS N 107.30 147.30 129.18 112.85 142.83 . . 0 "[ . 1 . 2]"
204 PHI 1 124 TYR C 1 125 LYS N 1 125 LYS CA 1 125 LYS C -137.20 -93.70 -125.47 -137.10 -106.55 . . 0 "[ . 1 . 2]"
205 PSI 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 ARG N 115.50 155.50 140.65 146.84 144.67 . . 0 "[ . 1 . 2]"
206 PHI 1 125 LYS C 1 126 ARG N 1 126 ARG CA 1 126 ARG C -144.70 -103.20 -139.83 -147.52 -124.76 2.82 9 0 "[ . 1 . 2]"
207 PSI 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 THR N 109.60 150.90 126.51 127.70 123.67 . . 0 "[ . 1 . 2]"
208 PHI 1 126 ARG C 1 127 THR N 1 127 THR CA 1 127 THR C -135.50 -88.50 -103.66 -116.78 -88.69 . . 0 "[ . 1 . 2]"
209 PSI 1 127 THR N 1 127 THR CA 1 127 THR C 1 128 SER N 106.70 146.70 127.66 126.95 125.98 . . 0 "[ . 1 . 2]"
210 PHI 1 127 THR C 1 128 SER N 1 128 SER CA 1 128 SER C -134.20 -88.30 -124.77 -134.65 -116.85 0.45 8 0 "[ . 1 . 2]"
211 PSI 1 128 SER N 1 128 SER CA 1 128 SER C 1 129 LYS N 109.20 158.50 135.17 126.52 141.32 . . 0 "[ . 1 . 2]"
212 PHI 1 128 SER C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -142.70 -77.00 -81.11 -73.94 -76.49 3.06 2 0 "[ . 1 . 2]"
213 PSI 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 LYS N 89.30 171.70 154.91 156.43 155.63 . . 0 "[ . 1 . 2]"
214 PHI 1 129 LYS C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -113.70 -57.00 -97.92 -104.84 -90.72 . . 0 "[ . 1 . 2]"
215 PSI 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 ILE N 113.30 153.30 123.47 121.21 119.29 . . 0 "[ . 1 . 2]"
216 PHI 1 130 LYS C 1 131 ILE N 1 131 ILE CA 1 131 ILE C -155.80 -76.20 -138.51 -146.43 -124.37 . . 0 "[ . 1 . 2]"
217 PSI 1 131 ILE N 1 131 ILE CA 1 131 ILE C 1 132 ALA N 104.10 163.70 166.78 156.02 169.75 6.05 8 3 "[ * + 1- . 2]"
218 PHI 1 131 ILE C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -154.80 -14.80 -142.43 -136.10 -137.08 0.91 14 0 "[ . 1 . 2]"
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