NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
613087 |
5x1x   |
36048 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5x1x
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 213
_TA_constraint_stats_list.Viol_count 826
_TA_constraint_stats_list.Viol_total 39328.53
_TA_constraint_stats_list.Viol_max 21.46
_TA_constraint_stats_list.Viol_rms 1.90
_TA_constraint_stats_list.Viol_average_all_restraints 0.46
_TA_constraint_stats_list.Viol_average_violations_only 2.38
_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 3 LYS C 1 4 VAL N 1 4 VAL CA 1 4 VAL C -136.20 -68.90 -73.91 -68.56 -68.79 2.04 17 0 "[ . 1 . 2]"
2 PSI 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1 5 ILE N 82.50 160.40 104.54 103.84 102.80 . . 0 "[ . 1 . 2]"
3 PHI 1 4 VAL C 1 5 ILE N 1 5 ILE CA 1 5 ILE C -134.80 -83.50 -84.53 -83.67 -84.14 0.94 18 0 "[ . 1 . 2]"
4 PSI 1 5 ILE N 1 5 ILE CA 1 5 ILE C 1 6 ASN N 102.60 148.50 124.89 117.06 108.92 0.31 17 0 "[ . 1 . 2]"
5 PHI 1 5 ILE C 1 6 ASN N 1 6 ASN CA 1 6 ASN C -153.00 -58.80 -110.60 -142.49 -80.42 . . 0 "[ . 1 . 2]"
6 PSI 1 6 ASN N 1 6 ASN CA 1 6 ASN C 1 7 VAL N 103.10 154.90 114.39 102.79 135.38 0.31 4 0 "[ . 1 . 2]"
7 PHI 1 6 ASN C 1 7 VAL N 1 7 VAL CA 1 7 VAL C -140.50 -100.50 -131.78 -131.53 -135.23 0.13 11 0 "[ . 1 . 2]"
8 PSI 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 VAL N 94.20 -174.30 152.91 147.02 142.53 . . 0 "[ . 1 . 2]"
9 PHI 1 7 VAL C 1 8 VAL N 1 8 VAL CA 1 8 VAL C -160.30 -99.90 -135.40 -152.37 -121.13 . . 0 "[ . 1 . 2]"
10 PSI 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 GLY N 120.80 175.30 154.61 144.64 139.33 . . 0 "[ . 1 . 2]"
11 PHI 1 8 VAL C 1 9 GLY N 1 9 GLY CA 1 9 GLY C -175.70 -104.40 -128.89 -153.76 -104.54 . . 0 "[ . 1 . 2]"
12 PSI 1 9 GLY N 1 9 GLY CA 1 9 GLY C 1 10 ALA N 81.30 -155.60 -175.77 174.89 173.24 0.00 19 0 "[ . 1 . 2]"
13 PHI 1 9 GLY C 1 10 ALA N 1 10 ALA CA 1 10 ALA C -163.90 -90.40 -146.54 -164.21 -91.60 0.31 15 0 "[ . 1 . 2]"
14 PSI 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 ILE N 108.40 154.80 134.45 132.81 130.87 . . 0 "[ . 1 . 2]"
15 PHI 1 10 ALA C 1 11 ILE N 1 11 ILE CA 1 11 ILE C -121.90 -74.50 -118.65 -122.36 -111.96 0.46 13 0 "[ . 1 . 2]"
16 PSI 1 11 ILE N 1 11 ILE CA 1 11 ILE C 1 12 ILE N 94.40 144.40 99.48 94.53 94.30 0.32 11 0 "[ . 1 . 2]"
17 PHI 1 11 ILE C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -156.80 -55.80 -78.95 -84.20 -72.10 . . 0 "[ . 1 . 2]"
18 PSI 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 PHE N 78.10 176.70 129.19 117.20 153.96 . . 0 "[ . 1 . 2]"
19 PHI 1 12 ILE C 1 13 PHE N 1 13 PHE CA 1 13 PHE C -158.00 -81.20 -115.11 -101.10 -102.93 . . 0 "[ . 1 . 2]"
20 PSI 1 13 PHE N 1 13 PHE CA 1 13 PHE C 1 14 SER N 128.20 175.40 132.98 127.73 150.41 0.47 20 0 "[ . 1 . 2]"
21 PHI 1 13 PHE C 1 14 SER N 1 14 SER CA 1 14 SER C 171.50 -57.10 -158.17 -162.63 -165.21 . . 0 "[ . 1 . 2]"
22 PSI 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 ASP N 108.30 149.80 123.20 108.41 137.57 . . 0 "[ . 1 . 2]"
23 PHI 1 15 ASP C 1 16 ASN N 1 16 ASN CA 1 16 ASN C 46.90 91.70 62.92 58.32 65.40 . . 0 "[ . 1 . 2]"
24 PSI 1 16 ASN N 1 16 ASN CA 1 16 ASN C 1 17 LYS N -17.20 39.80 39.10 34.88 40.52 0.72 19 0 "[ . 1 . 2]"
25 PHI 1 16 ASN C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -158.20 -68.00 -134.39 -142.18 -127.16 . . 0 "[ . 1 . 2]"
26 PSI 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 ILE N 130.20 -176.50 162.92 143.18 -179.54 . . 0 "[ . 1 . 2]"
27 PHI 1 17 LYS C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -149.80 -109.80 -123.31 -118.44 -122.65 0.26 19 0 "[ . 1 . 2]"
28 PSI 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 LEU N 111.40 160.10 149.12 149.17 148.18 . . 0 "[ . 1 . 2]"
29 PHI 1 18 ILE C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -125.40 -55.00 -93.63 -101.59 -82.74 . . 0 "[ . 1 . 2]"
30 PSI 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 CYS N 76.80 161.40 162.35 161.77 163.32 1.92 20 0 "[ . 1 . 2]"
31 PHI 1 19 LEU C 1 20 CYS N 1 20 CYS CA 1 20 CYS C -158.00 -86.00 -132.22 -127.14 -131.17 . . 0 "[ . 1 . 2]"
32 PSI 1 20 CYS N 1 20 CYS CA 1 20 CYS C 1 21 ALA N 111.00 160.40 138.84 122.35 144.24 . . 0 "[ . 1 . 2]"
33 PHI 1 20 CYS C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -153.10 -95.60 -148.13 -154.10 -137.37 1.00 7 0 "[ . 1 . 2]"
34 PSI 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 GLN N 92.10 156.70 136.19 110.19 94.29 0.58 13 0 "[ . 1 . 2]"
35 PHI 1 21 ALA C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -125.10 -56.10 -107.96 -125.65 -69.63 0.55 16 0 "[ . 1 . 2]"
36 PSI 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 ARG N 96.70 136.70 102.29 95.84 137.05 0.86 3 0 "[ . 1 . 2]"
37 PHI 1 24 SER C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -83.50 -43.50 -78.20 -84.70 -55.33 1.20 18 0 "[ . 1 . 2]"
38 PSI 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 LYS N -41.80 -1.80 -2.13 2.22 1.58 4.73 19 0 "[ . 1 . 2]"
39 PHI 1 25 GLU C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -119.20 -79.20 -76.40 -75.41 -75.94 5.21 10 1 "[ . + . 2]"
40 PSI 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 MET N -42.90 34.60 -38.65 -40.04 -41.82 0.47 19 0 "[ . 1 . 2]"
41 PHI 1 27 MET C 1 28 SER N 1 28 SER CA 1 28 SER C -140.70 -39.50 -96.09 -119.41 -86.71 . . 0 "[ . 1 . 2]"
42 PSI 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 LEU N 133.30 -163.00 157.80 127.66 126.75 7.27 4 10 "[** +* *- * .** *2]"
43 PSI 1 30 PRO N 1 30 PRO CA 1 30 PRO C 1 31 LEU N -59.60 0.60 -14.03 -28.28 0.39 . . 0 "[ . 1 . 2]"
44 PHI 1 30 PRO C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -88.70 -48.70 -54.05 -58.98 -61.24 1.27 8 0 "[ . 1 . 2]"
45 PSI 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 MET N -53.00 -0.10 -43.36 -56.78 -26.41 3.78 5 0 "[ . 1 . 2]"
46 PHI 1 31 LEU C 1 32 MET N 1 32 MET CA 1 32 MET C -115.40 -67.80 -89.80 -71.30 -78.07 2.31 16 0 "[ . 1 . 2]"
47 PSI 1 32 MET N 1 32 MET CA 1 32 MET C 1 33 TRP N -33.30 20.70 -48.25 -50.77 -43.51 17.47 2 20 [*+***********-******]
48 PHI 1 32 MET C 1 33 TRP N 1 33 TRP CA 1 33 TRP C -155.80 -30.70 -158.38 -160.75 -155.78 4.95 7 0 "[ . 1 . 2]"
49 PSI 1 33 TRP N 1 33 TRP CA 1 33 TRP C 1 34 GLU N 86.10 -170.90 158.30 146.93 174.01 . . 0 "[ . 1 . 2]"
50 PHI 1 33 TRP C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -179.10 -86.50 -173.56 -178.19 -179.85 1.32 14 0 "[ . 1 . 2]"
51 PSI 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 PHE N 141.80 -176.40 161.81 159.69 154.03 0.21 18 0 "[ . 1 . 2]"
52 PHI 1 34 GLU C 1 35 PHE N 1 35 PHE CA 1 35 PHE C -154.50 -50.40 -113.36 -139.77 -93.95 . . 0 "[ . 1 . 2]"
53 PSI 1 35 PHE N 1 35 PHE CA 1 35 PHE C 1 36 PRO N 89.40 -179.40 158.31 151.72 161.64 . . 0 "[ . 1 . 2]"
54 PSI 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 GLY N 130.90 170.90 157.74 145.61 139.37 0.90 14 0 "[ . 1 . 2]"
55 PHI 1 39 LYS C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -129.20 -53.20 -118.14 -129.40 -130.37 1.17 1 0 "[ . 1 . 2]"
56 PSI 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 GLU N 103.30 158.60 144.12 142.34 139.15 . . 0 "[ . 1 . 2]"
57 PHI 1 40 VAL C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -102.50 -54.40 -72.31 -70.29 -72.71 . . 0 "[ . 1 . 2]"
58 PSI 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 LYS N 137.60 -166.90 160.63 137.46 -175.75 0.14 17 0 "[ . 1 . 2]"
59 PHI 1 41 GLU C 1 42 LYS N 1 42 LYS CA 1 42 LYS C -85.20 -45.20 -71.01 -68.51 -71.43 1.07 1 0 "[ . 1 . 2]"
60 PSI 1 42 LYS N 1 42 LYS CA 1 42 LYS C 1 43 ASN N -55.00 13.50 -32.40 -47.17 9.42 . . 0 "[ . 1 . 2]"
61 PHI 1 43 ASN C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -168.10 -42.20 -118.96 -157.67 -66.93 . . 0 "[ . 1 . 2]"
62 PSI 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 THR N 134.90 174.90 140.76 134.56 161.97 0.34 20 0 "[ . 1 . 2]"
63 PHI 1 44 GLU C 1 45 THR N 1 45 THR CA 1 45 THR C -100.70 -60.70 -79.55 -80.55 -85.86 0.03 10 0 "[ . 1 . 2]"
64 PSI 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 GLU N 145.30 -174.70 169.85 155.11 -173.22 1.48 20 0 "[ . 1 . 2]"
65 PHI 1 45 THR C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -78.80 -38.80 -59.98 -80.72 -52.88 1.92 20 0 "[ . 1 . 2]"
66 PSI 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 LYS N -59.00 -19.00 -48.45 -35.46 -35.89 0.76 15 0 "[ . 1 . 2]"
67 PHI 1 46 GLU C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -80.50 -40.50 -67.19 -69.85 -74.65 . . 0 "[ . 1 . 2]"
68 PSI 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ASP N -65.20 -25.20 -52.51 -65.31 -34.54 0.11 2 0 "[ . 1 . 2]"
69 PHI 1 47 LYS C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -87.90 -47.90 -57.82 -70.24 -51.18 . . 0 "[ . 1 . 2]"
70 PSI 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 ALA N -58.60 -18.60 -32.45 -50.54 -25.02 . . 0 "[ . 1 . 2]"
71 PHI 1 48 ASP C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -84.80 -44.80 -70.92 -53.73 -66.48 0.67 9 0 "[ . 1 . 2]"
72 PSI 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 LEU N -61.30 -21.30 -32.54 -28.73 -30.34 . . 0 "[ . 1 . 2]"
73 PHI 1 49 ALA C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -81.20 -41.20 -78.28 -83.39 -60.70 2.19 16 0 "[ . 1 . 2]"
74 PSI 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 ILE N -63.90 -23.90 -49.60 -61.59 -41.24 . . 0 "[ . 1 . 2]"
75 PHI 1 50 LEU C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -83.80 -43.80 -53.93 -52.04 -53.44 . . 0 "[ . 1 . 2]"
76 PSI 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 ARG N -60.40 -20.40 -30.63 -29.46 -30.03 . . 0 "[ . 1 . 2]"
77 PHI 1 51 ILE C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -82.00 -42.00 -82.19 -74.93 -79.16 1.75 8 0 "[ . 1 . 2]"
78 PSI 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 GLU N -62.20 -22.20 -48.31 -47.12 -49.62 . . 0 "[ . 1 . 2]"
79 PHI 1 52 ARG C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -86.90 -46.90 -61.97 -74.48 -51.11 . . 0 "[ . 1 . 2]"
80 PSI 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 ILE N -59.30 -19.30 -51.87 -61.88 -21.52 2.58 7 0 "[ . 1 . 2]"
81 PHI 1 53 GLU C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -85.70 -45.70 -55.47 -75.21 -46.05 . . 0 "[ . 1 . 2]"
82 PSI 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 ARG N -65.10 -25.10 -30.05 -24.02 -24.47 4.26 18 0 "[ . 1 . 2]"
83 PHI 1 54 ILE C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -80.70 -40.70 -70.12 -91.11 -49.26 10.41 6 4 "[ * .+ - 1 . * 2]"
84 PSI 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 GLU N -60.60 -20.60 -47.46 -62.88 -63.16 5.51 5 1 "[ + 1 . 2]"
85 PHI 1 55 ARG C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -87.50 -47.50 -91.81 -94.60 -87.79 7.10 5 7 "[ * + * ** . -*2]"
86 PSI 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 GLU N -58.20 -18.20 -52.90 -63.88 -36.76 5.68 3 1 "[ + . 1 . 2]"
87 PHI 1 56 GLU C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -97.60 -53.70 -58.13 -48.69 -48.93 5.48 20 3 "[ * . 1 -. +]"
88 PSI 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 MET N -58.50 -18.50 -61.07 -65.17 -47.05 6.67 3 4 "[ + . *1 . - *2]"
89 PHI 1 57 GLU C 1 58 MET N 1 58 MET CA 1 58 MET C -120.50 -46.20 -74.59 -98.05 -62.02 . . 0 "[ . 1 . 2]"
90 PSI 1 58 MET N 1 58 MET CA 1 58 MET C 1 59 LYS N -55.80 19.70 -30.15 -26.57 -27.90 . . 0 "[ . 1 . 2]"
91 PHI 1 59 LYS C 1 60 CYS N 1 60 CYS CA 1 60 CYS C -148.20 -96.70 -132.53 -123.44 -125.63 0.48 14 0 "[ . 1 . 2]"
92 PSI 1 60 CYS N 1 60 CYS CA 1 60 CYS C 1 61 ASP N 142.10 -173.80 -179.09 161.76 -172.97 0.83 9 0 "[ . 1 . 2]"
93 PHI 1 60 CYS C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -123.10 -74.10 -102.27 -98.69 -100.80 . . 0 "[ . 1 . 2]"
94 PSI 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 LEU N -47.40 26.50 29.56 29.66 29.62 4.64 7 0 "[ . 1 . 2]"
95 PHI 1 62 LEU C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -127.20 -64.10 -98.12 -112.29 -82.75 . . 0 "[ . 1 . 2]"
96 PSI 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 VAL N 99.50 151.00 141.01 110.48 151.26 0.26 8 0 "[ . 1 . 2]"
97 PHI 1 63 ILE C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -131.90 -72.90 -103.89 -125.50 -73.68 . . 0 "[ . 1 . 2]"
98 PSI 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 GLY N 104.60 155.90 147.10 144.19 143.88 . . 0 "[ . 1 . 2]"
99 PHI 1 66 ASP C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -118.40 -40.70 -65.86 -80.56 -51.52 . . 0 "[ . 1 . 2]"
100 PSI 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 VAL N 93.40 153.50 138.59 135.55 134.83 . . 0 "[ . 1 . 2]"
101 PHI 1 67 LYS C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -109.40 -69.40 -89.69 -81.01 -81.34 . . 0 "[ . 1 . 2]"
102 PSI 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 ILE N -63.10 -23.10 -60.86 -59.65 -61.84 0.51 16 0 "[ . 1 . 2]"
103 PHI 1 68 VAL C 1 69 ILE N 1 69 ILE CA 1 69 ILE C 172.40 -121.30 -174.20 -176.49 -167.72 . . 0 "[ . 1 . 2]"
104 PSI 1 69 ILE N 1 69 ILE CA 1 69 ILE C 1 70 THR N 121.10 174.00 154.83 142.45 161.70 . . 0 "[ . 1 . 2]"
105 PHI 1 69 ILE C 1 70 THR N 1 70 THR CA 1 70 THR C -176.00 -61.30 -107.80 -108.90 -110.40 . . 0 "[ . 1 . 2]"
106 PSI 1 70 THR N 1 70 THR CA 1 70 THR C 1 71 THR N 88.90 176.10 123.94 89.84 157.76 . . 0 "[ . 1 . 2]"
107 PHI 1 70 THR C 1 71 THR N 1 71 THR CA 1 71 THR C -157.30 -92.20 -123.37 -121.67 -125.77 . . 0 "[ . 1 . 2]"
108 PSI 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 GLU N 115.40 163.80 139.79 115.34 158.68 0.06 10 0 "[ . 1 . 2]"
109 PHI 1 71 THR C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -146.40 -94.70 -138.40 -137.90 -139.28 0.59 5 0 "[ . 1 . 2]"
110 PSI 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 HIS N 106.90 146.90 145.82 136.09 147.70 0.80 17 0 "[ . 1 . 2]"
111 PHI 1 72 GLU C 1 73 HIS N 1 73 HIS CA 1 73 HIS C -160.60 -82.80 -137.16 -134.87 -135.94 . . 0 "[ . 1 . 2]"
112 PSI 1 73 HIS N 1 73 HIS CA 1 73 HIS C 1 74 GLU N 104.30 152.30 145.23 122.02 152.97 0.67 15 0 "[ . 1 . 2]"
113 PHI 1 73 HIS C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -118.70 -75.60 -84.57 -97.89 -71.99 3.61 18 0 "[ . 1 . 2]"
114 PSI 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 TYR N 102.70 146.90 124.99 102.35 139.64 0.35 17 0 "[ . 1 . 2]"
115 PHI 1 74 GLU C 1 75 TYR N 1 75 TYR CA 1 75 TYR C -145.30 -52.20 -123.56 -111.50 -114.36 . . 0 "[ . 1 . 2]"
116 PSI 1 75 TYR N 1 75 TYR CA 1 75 TYR C 1 76 ASP N 92.40 -143.40 167.21 130.21 -168.78 . . 0 "[ . 1 . 2]"
117 PHI 1 75 TYR C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -83.30 -43.30 -77.84 -57.64 -68.05 1.52 18 0 "[ . 1 . 2]"
118 PSI 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 PHE N -53.10 0.20 -34.64 -32.29 -33.37 1.73 5 0 "[ . 1 . 2]"
119 PHI 1 76 ASP C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -133.80 -72.40 -91.70 -92.48 -101.45 . . 0 "[ . 1 . 2]"
120 PSI 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 GLY N -20.60 33.60 -12.26 -23.53 35.40 2.93 14 0 "[ . 1 . 2]"
121 PHI 1 78 GLY C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -146.80 -54.20 -69.99 -64.81 -117.26 3.96 9 0 "[ . 1 . 2]"
122 PSI 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 VAL N 91.60 160.00 133.29 120.30 150.27 . . 0 "[ . 1 . 2]"
123 PHI 1 79 ILE C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -130.50 -87.80 -102.62 -119.29 -87.61 0.19 8 0 "[ . 1 . 2]"
124 PSI 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 ARG N 105.10 149.40 132.02 128.83 121.93 . . 0 "[ . 1 . 2]"
125 PHI 1 80 VAL C 1 81 ARG N 1 81 ARG CA 1 81 ARG C -128.10 -88.10 -122.89 -130.02 -109.06 1.92 18 0 "[ . 1 . 2]"
126 PSI 1 81 ARG N 1 81 ARG CA 1 81 ARG C 1 82 LEU N 100.30 140.30 111.39 99.68 125.81 0.62 20 0 "[ . 1 . 2]"
127 PHI 1 81 ARG C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -135.60 -95.60 -101.95 -114.30 -95.18 0.42 15 0 "[ . 1 . 2]"
128 PSI 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 THR N 99.30 139.30 132.80 130.31 127.45 0.19 6 0 "[ . 1 . 2]"
129 PHI 1 82 LEU C 1 83 THR N 1 83 THR CA 1 83 THR C -133.90 -81.10 -131.11 -133.90 -133.92 0.51 12 0 "[ . 1 . 2]"
130 PSI 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 THR N 95.30 157.40 138.63 147.11 141.47 0.39 9 0 "[ . 1 . 2]"
131 PHI 1 83 THR C 1 84 THR N 1 84 THR CA 1 84 THR C -144.80 -104.80 -117.70 -134.47 -104.49 0.31 8 0 "[ . 1 . 2]"
132 PSI 1 84 THR N 1 84 THR CA 1 84 THR C 1 85 TYR N 142.30 -177.70 153.43 157.69 155.35 . . 0 "[ . 1 . 2]"
133 PHI 1 84 THR C 1 85 TYR N 1 85 TYR CA 1 85 TYR C -164.00 -94.00 -138.65 -148.25 -126.52 . . 0 "[ . 1 . 2]"
134 PSI 1 85 TYR N 1 85 TYR CA 1 85 TYR C 1 86 LYS N 117.00 173.40 128.86 123.98 120.85 . . 0 "[ . 1 . 2]"
135 PHI 1 85 TYR C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -138.30 -56.60 -57.85 -60.84 -56.31 0.29 4 0 "[ . 1 . 2]"
136 PSI 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 CYS N 105.90 161.80 123.88 105.40 141.08 0.50 10 0 "[ . 1 . 2]"
137 PHI 1 86 LYS C 1 87 CYS N 1 87 CYS CA 1 87 CYS C -159.20 -96.30 -118.70 -137.00 -98.42 . . 0 "[ . 1 . 2]"
138 PSI 1 87 CYS N 1 87 CYS CA 1 87 CYS C 1 88 THR N 131.80 -178.70 144.68 132.81 -179.39 . . 0 "[ . 1 . 2]"
139 PHI 1 87 CYS C 1 88 THR N 1 88 THR CA 1 88 THR C -163.80 -83.50 -103.56 -115.06 -126.60 . . 0 "[ . 1 . 2]"
140 PSI 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 LEU N 108.60 174.70 156.58 132.51 172.63 . . 0 "[ . 1 . 2]"
141 PHI 1 88 THR C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -169.50 -45.50 -77.96 -78.80 -85.23 . . 0 "[ . 1 . 2]"
142 PSI 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 ASN N 106.80 152.10 139.92 143.80 141.39 0.36 13 0 "[ . 1 . 2]"
143 PHI 1 89 LEU C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -152.40 -25.20 -120.93 -139.55 -90.61 . . 0 "[ . 1 . 2]"
144 PSI 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 LYS N 74.40 -176.40 -179.75 159.99 -175.83 0.57 20 0 "[ . 1 . 2]"
145 PHI 1 90 ASN C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -129.20 -50.20 -54.55 -53.20 -53.59 . . 0 "[ . 1 . 2]"
146 PSI 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 GLU N -59.60 -5.50 -51.28 -60.60 -36.57 1.00 13 0 "[ . 1 . 2]"
147 PHI 1 92 GLU C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -140.10 -60.30 -80.77 -81.87 -83.29 0.18 10 0 "[ . 1 . 2]"
148 PSI 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 PRO N 70.40 -172.20 157.95 159.59 159.05 . . 0 "[ . 1 . 2]"
149 PSI 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 THR N 124.80 169.80 151.63 124.73 169.96 0.16 3 0 "[ . 1 . 2]"
150 PHI 1 94 PRO C 1 95 THR N 1 95 THR CA 1 95 THR C -167.30 -40.50 -93.62 -99.98 -102.85 . . 0 "[ . 1 . 2]"
151 PSI 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 LEU N 108.70 158.40 160.15 159.01 161.50 3.10 6 0 "[ . 1 . 2]"
152 PHI 1 96 LEU C 1 97 THR N 1 97 THR CA 1 97 THR C -81.60 -41.60 -80.14 -80.18 -80.95 1.01 15 0 "[ . 1 . 2]"
153 PSI 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 GLU N -55.30 16.80 -31.52 -34.08 -26.33 . . 0 "[ . 1 . 2]"
154 PHI 1 97 THR C 1 98 GLU N 1 98 GLU CA 1 98 GLU C -87.60 -47.60 -81.13 -82.44 -79.70 . . 0 "[ . 1 . 2]"
155 PSI 1 98 GLU N 1 98 GLU CA 1 98 GLU C 1 99 HIS N -60.90 -2.50 -0.07 -0.24 -0.30 3.24 10 0 "[ . 1 . 2]"
156 PHI 1 98 GLU C 1 99 HIS N 1 99 HIS CA 1 99 HIS C -81.30 -41.30 -43.01 -44.39 -41.14 0.16 20 0 "[ . 1 . 2]"
157 PSI 1 99 HIS N 1 99 HIS CA 1 99 HIS C 1 100 LYS N -71.60 -3.00 -43.97 -43.71 -69.44 . . 0 "[ . 1 . 2]"
158 PHI 1 99 HIS C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -124.20 -68.20 -99.62 -109.76 -67.86 0.34 17 0 "[ . 1 . 2]"
159 PSI 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 SER N -58.80 11.40 -60.43 -60.20 -60.20 2.66 3 0 "[ . 1 . 2]"
160 PHI 1 100 LYS C 1 101 SER N 1 101 SER CA 1 101 SER C 169.40 -101.10 176.21 174.20 178.32 . . 0 "[ . 1 . 2]"
161 PSI 1 101 SER N 1 101 SER CA 1 101 SER C 1 102 ILE N 117.20 -172.30 -174.92 -174.38 -175.69 0.67 6 0 "[ . 1 . 2]"
162 PHI 1 101 SER C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -162.30 -95.00 -105.57 -110.88 -93.85 1.15 10 0 "[ . 1 . 2]"
163 PSI 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 GLU N 101.90 174.30 101.85 102.07 101.77 1.52 20 0 "[ . 1 . 2]"
164 PHI 1 102 ILE C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -161.80 -113.80 -144.02 -143.06 -143.34 . . 0 "[ . 1 . 2]"
165 PSI 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 TRP N 122.50 171.20 118.02 116.76 118.79 5.74 16 3 "[ . 1 .+ -*]"
166 PHI 1 103 GLU C 1 104 TRP N 1 104 TRP CA 1 104 TRP C -134.90 -80.70 -117.16 -120.54 -112.46 . . 0 "[ . 1 . 2]"
167 PSI 1 104 TRP N 1 104 TRP CA 1 104 TRP C 1 105 LEU N 103.00 143.00 107.73 102.41 123.81 0.59 2 0 "[ . 1 . 2]"
168 PHI 1 104 TRP C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -156.40 -74.90 -103.36 -126.36 -88.79 . . 0 "[ . 1 . 2]"
169 PSI 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 SER N 116.70 159.50 156.54 146.07 160.15 0.65 20 0 "[ . 1 . 2]"
170 PHI 1 105 LEU C 1 106 SER N 1 106 SER CA 1 106 SER C -128.30 -33.50 -74.81 -68.70 -71.58 . . 0 "[ . 1 . 2]"
171 PSI 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 ILE N 118.50 -175.50 177.14 168.45 -175.15 0.35 20 0 "[ . 1 . 2]"
172 PHI 1 106 SER C 1 107 ILE N 1 107 ILE CA 1 107 ILE C -72.90 -32.90 -72.88 -74.17 -69.23 1.27 18 0 "[ . 1 . 2]"
173 PSI 1 107 ILE N 1 107 ILE CA 1 107 ILE C 1 108 ASN N -56.00 -12.50 -22.46 -26.94 -29.11 . . 0 "[ . 1 . 2]"
174 PHI 1 107 ILE C 1 108 ASN N 1 108 ASN CA 1 108 ASN C -99.10 -40.40 -95.54 -98.16 -98.95 0.08 11 0 "[ . 1 . 2]"
175 PSI 1 108 ASN N 1 108 ASN CA 1 108 ASN C 1 109 GLU N -52.10 12.70 9.75 -0.32 14.28 1.58 4 0 "[ . 1 . 2]"
176 PHI 1 108 ASN C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -157.00 -48.90 -127.39 -144.47 -121.67 . . 0 "[ . 1 . 2]"
177 PSI 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 LEU N -67.30 46.10 -12.94 -14.04 -15.92 . . 0 "[ . 1 . 2]"
178 PHI 1 109 GLU C 1 110 LEU N 1 110 LEU CA 1 110 LEU C -79.40 -39.40 -51.93 -61.61 -46.37 . . 0 "[ . 1 . 2]"
179 PSI 1 110 LEU N 1 110 LEU CA 1 110 LEU C 1 111 ASP N -58.20 -18.20 -29.07 -27.13 -27.58 . . 0 "[ . 1 . 2]"
180 PHI 1 110 LEU C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -103.50 -41.20 -53.73 -56.60 -49.85 . . 0 "[ . 1 . 2]"
181 PSI 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 LYS N -59.70 17.90 -38.81 -53.14 -27.12 . . 0 "[ . 1 . 2]"
182 PHI 1 111 ASP C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -108.20 -40.90 -64.67 -62.13 -62.68 . . 0 "[ . 1 . 2]"
183 PSI 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 LEU N -69.00 20.00 -18.43 -20.49 -20.85 . . 0 "[ . 1 . 2]"
184 PHI 1 112 LYS C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -122.40 -70.20 -90.36 -91.92 -92.00 . . 0 "[ . 1 . 2]"
185 PSI 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 ASN N -34.00 25.10 42.04 40.93 40.83 21.46 14 20 [********-****+******]
186 PHI 1 113 LEU C 1 114 ASN N 1 114 ASN CA 1 114 ASN C -143.70 -34.40 -23.93 -23.61 -23.68 11.13 9 20 [*****-**+***********]
187 PSI 1 114 ASN N 1 114 ASN CA 1 114 ASN C 1 115 TRP N 101.00 157.00 106.36 103.34 110.60 . . 0 "[ . 1 . 2]"
188 PHI 1 115 TRP C 1 116 ALA N 1 116 ALA CA 1 116 ALA C -141.40 -35.40 -52.91 -62.29 -49.69 . . 0 "[ . 1 . 2]"
189 PSI 1 116 ALA N 1 116 ALA CA 1 116 ALA C 1 117 PRO N 102.40 -167.00 166.39 167.05 166.77 . . 0 "[ . 1 . 2]"
190 PSI 1 117 PRO N 1 117 PRO CA 1 117 PRO C 1 118 ALA N -59.00 -8.30 -19.54 -16.42 -16.54 . . 0 "[ . 1 . 2]"
191 PHI 1 117 PRO C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -89.00 -48.60 -89.83 -90.63 -88.73 1.63 4 0 "[ . 1 . 2]"
192 PSI 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 ASP N -53.90 5.80 -29.41 -29.84 -30.18 . . 0 "[ . 1 . 2]"
193 PHI 1 118 ALA C 1 119 ASP N 1 119 ASP CA 1 119 ASP C -102.40 -47.50 -92.50 -96.51 -87.53 . . 0 "[ . 1 . 2]"
194 PSI 1 119 ASP N 1 119 ASP CA 1 119 ASP C 1 120 ILE N -53.40 10.20 -24.51 -23.19 -23.76 . . 0 "[ . 1 . 2]"
195 PHI 1 119 ASP C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -69.90 -29.90 -46.03 -46.54 -46.59 . . 0 "[ . 1 . 2]"
196 PSI 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 PRO N -69.60 -29.60 -55.54 -56.57 -54.70 . . 0 "[ . 1 . 2]"
197 PSI 1 121 PRO N 1 121 PRO CA 1 121 PRO C 1 122 ALA N -56.00 -16.00 -20.75 -17.26 -17.66 . . 0 "[ . 1 . 2]"
198 PHI 1 121 PRO C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -86.00 -46.00 -81.98 -86.28 -76.81 0.28 9 0 "[ . 1 . 2]"
199 PSI 1 122 ALA N 1 122 ALA CA 1 122 ALA C 1 123 VAL N -60.30 -20.30 -28.52 -28.28 -29.44 . . 0 "[ . 1 . 2]"
200 PHI 1 122 ALA C 1 123 VAL N 1 123 VAL CA 1 123 VAL C -84.50 -44.50 -82.32 -85.02 -74.40 0.52 8 0 "[ . 1 . 2]"
201 PSI 1 123 VAL N 1 123 VAL CA 1 123 VAL C 1 124 ASN N -62.30 -22.30 -36.96 -34.96 -35.14 . . 0 "[ . 1 . 2]"
202 PHI 1 123 VAL C 1 124 ASN N 1 124 ASN CA 1 124 ASN C -83.60 -43.60 -57.63 -68.61 -51.61 . . 0 "[ . 1 . 2]"
203 PSI 1 124 ASN N 1 124 ASN CA 1 124 ASN C 1 125 LYS N -58.00 -18.00 -41.10 -50.70 -33.83 . . 0 "[ . 1 . 2]"
204 PHI 1 124 ASN C 1 125 LYS N 1 125 LYS CA 1 125 LYS C -84.10 -44.10 -55.72 -54.28 -55.56 . . 0 "[ . 1 . 2]"
205 PSI 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 ILE N -62.20 -22.20 -33.78 -36.36 -38.14 . . 0 "[ . 1 . 2]"
206 PHI 1 125 LYS C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -85.90 -45.90 -59.08 -66.90 -50.83 . . 0 "[ . 1 . 2]"
207 PSI 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 MET N -60.50 -20.50 -45.15 -45.46 -45.61 . . 0 "[ . 1 . 2]"
208 PHI 1 126 ILE C 1 127 MET N 1 127 MET CA 1 127 MET C -89.50 -38.60 -51.53 -53.81 -50.22 . . 0 "[ . 1 . 2]"
209 PSI 1 127 MET N 1 127 MET CA 1 127 MET C 1 128 THR N -58.50 -18.50 -34.45 -36.04 -31.40 . . 0 "[ . 1 . 2]"
210 PHI 1 127 MET C 1 128 THR N 1 128 THR CA 1 128 THR C -113.90 -38.20 -51.10 -52.51 -49.93 . . 0 "[ . 1 . 2]"
211 PSI 1 128 THR N 1 128 THR CA 1 128 THR C 1 129 GLU N -64.00 9.40 -33.40 -35.01 -30.84 . . 0 "[ . 1 . 2]"
212 PHI 1 128 THR C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -120.50 -60.60 -60.43 -60.35 -60.39 0.38 3 0 "[ . 1 . 2]"
213 PSI 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 GLY N -50.60 36.60 -42.73 -44.84 -45.08 . . 0 "[ . 1 . 2]"
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