NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638430 |
6k2i   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6k2i
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 202
_TA_constraint_stats_list.Viol_count 829
_TA_constraint_stats_list.Viol_total 30674.89
_TA_constraint_stats_list.Viol_max 8.38
_TA_constraint_stats_list.Viol_rms 0.98
_TA_constraint_stats_list.Viol_average_all_restraints 0.38
_TA_constraint_stats_list.Viol_average_violations_only 1.85
_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 2 GLN C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -92.90 -52.90 -77.31 -94.00 -62.40 1.10 9 0 "[ . 1 . 2]"
2 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 GLN N 114.10 154.10 112.60 112.20 111.66 5.97 14 2 "[ . 1 +. - 2]"
3 . 1 3 LEU C 1 4 GLN N 1 4 GLN CA 1 4 GLN C -117.20 -77.20 -100.82 -105.61 -107.58 2.69 19 0 "[ . 1 . 2]"
4 . 1 4 GLN N 1 4 GLN CA 1 4 GLN C 1 5 LEU N 109.30 149.30 127.65 114.29 108.91 5.91 13 1 "[ . 1 + . 2]"
5 . 1 4 GLN C 1 5 LEU N 1 5 LEU CA 1 5 LEU C -129.70 -89.50 -119.25 -132.84 -93.42 3.14 18 0 "[ . 1 . 2]"
6 . 1 5 LEU N 1 5 LEU CA 1 5 LEU C 1 6 VAL N 109.80 150.60 116.59 110.83 109.02 4.20 1 0 "[ . 1 . 2]"
7 . 1 5 LEU C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -146.70 -100.30 -107.09 -121.32 -95.76 4.54 3 0 "[ . 1 . 2]"
8 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 GLU N 106.00 146.00 103.13 104.72 104.19 6.06 3 2 "[ + . 1 - . 2]"
9 . 1 6 VAL C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -112.90 -64.70 -92.17 -92.51 -94.69 . . 0 "[ . 1 . 2]"
10 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 SER N 113.00 155.20 143.25 118.80 155.83 0.63 19 0 "[ . 1 . 2]"
11 . 1 7 GLU C 1 8 SER N 1 8 SER CA 1 8 SER C -165.10 -115.10 -152.01 -165.31 -128.12 0.21 14 0 "[ . 1 . 2]"
12 . 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 GLY N 130.60 -177.40 161.62 135.00 -177.37 0.03 6 0 "[ . 1 . 2]"
13 . 1 10 GLY C 1 11 GLY N 1 11 GLY CA 1 11 GLY C -179.50 -73.70 -161.66 -165.86 -169.36 1.48 5 0 "[ . 1 . 2]"
14 . 1 11 GLY N 1 11 GLY CA 1 11 GLY C 1 12 LEU N 133.90 -164.50 -175.94 172.78 -164.17 0.33 3 0 "[ . 1 . 2]"
15 . 1 11 GLY C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -129.40 -77.20 -92.83 -94.76 -98.37 . . 0 "[ . 1 . 2]"
16 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 VAL N 80.90 170.90 122.53 109.51 137.09 . . 0 "[ . 1 . 2]"
17 . 1 12 LEU C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -156.50 -94.10 -125.00 -137.68 -113.34 . . 0 "[ . 1 . 2]"
18 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 GLN N 116.00 170.60 160.62 145.97 171.27 0.67 20 0 "[ . 1 . 2]"
19 . 1 13 VAL C 1 14 GLN N 1 14 GLN CA 1 14 GLN C -114.60 -50.20 -82.57 -81.33 -83.62 . . 0 "[ . 1 . 2]"
20 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 ALA N 127.00 178.40 153.11 145.34 160.44 . . 0 "[ . 1 . 2]"
21 . 1 14 GLN C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -74.70 -34.70 -63.73 -60.82 -62.48 . . 0 "[ . 1 . 2]"
22 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 GLY N 111.20 151.20 122.46 133.38 127.60 . . 0 "[ . 1 . 2]"
23 . 1 15 ALA C 1 16 GLY N 1 16 GLY CA 1 16 GLY C 72.20 112.20 105.99 89.08 113.99 1.79 3 0 "[ . 1 . 2]"
24 . 1 16 GLY N 1 16 GLY CA 1 16 GLY C 1 17 GLY N -25.90 14.10 -12.65 -26.49 11.70 0.59 19 0 "[ . 1 . 2]"
25 . 1 16 GLY C 1 17 GLY N 1 17 GLY CA 1 17 GLY C -105.70 -57.90 -84.82 -82.29 -82.37 . . 0 "[ . 1 . 2]"
26 . 1 17 GLY N 1 17 GLY CA 1 17 GLY C 1 18 SER N 149.20 -167.60 -175.55 173.64 170.99 1.92 9 0 "[ . 1 . 2]"
27 . 1 17 GLY C 1 18 SER N 1 18 SER CA 1 18 SER C -153.10 -102.30 -123.46 -144.10 -104.64 . . 0 "[ . 1 . 2]"
28 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 LEU N 131.90 171.90 152.33 150.47 138.85 1.49 15 0 "[ . 1 . 2]"
29 . 1 18 SER C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -159.00 -119.00 -149.78 -160.69 -128.99 1.69 5 0 "[ . 1 . 2]"
30 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 ARG N 118.70 160.90 127.26 116.84 141.03 1.86 5 0 "[ . 1 . 2]"
31 . 1 19 LEU C 1 20 ARG N 1 20 ARG CA 1 20 ARG C -135.50 -89.10 -105.07 -103.13 -105.57 . . 0 "[ . 1 . 2]"
32 . 1 20 ARG N 1 20 ARG CA 1 20 ARG C 1 21 LEU N 105.00 146.60 123.25 109.18 139.82 . . 0 "[ . 1 . 2]"
33 . 1 20 ARG C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -126.90 -86.90 -93.26 -89.42 -94.82 2.63 19 0 "[ . 1 . 2]"
34 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 SER N 116.80 156.80 154.49 153.39 151.32 2.39 14 0 "[ . 1 . 2]"
35 . 1 21 LEU C 1 22 SER N 1 22 SER CA 1 22 SER C -150.50 -110.50 -142.84 -151.39 -131.89 0.89 2 0 "[ . 1 . 2]"
36 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 CYS N 126.30 166.30 128.26 130.89 128.74 4.24 19 0 "[ . 1 . 2]"
37 . 1 22 SER C 1 23 CYS N 1 23 CYS CA 1 23 CYS C -147.20 -105.80 -124.75 -140.06 -105.71 0.09 19 0 "[ . 1 . 2]"
38 . 1 23 CYS N 1 23 CYS CA 1 23 CYS C 1 24 VAL N 103.00 143.00 109.44 101.96 101.96 1.33 12 0 "[ . 1 . 2]"
39 . 1 23 CYS C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -126.40 -86.40 -86.94 -105.56 -83.24 3.16 18 0 "[ . 1 . 2]"
40 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 ALA N 104.70 144.70 126.19 126.11 123.46 1.44 20 0 "[ . 1 . 2]"
41 . 1 24 VAL C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -131.30 -91.30 -89.65 -88.10 -88.52 4.77 15 0 "[ . 1 . 2]"
42 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 SER N 101.90 145.90 100.62 96.93 108.67 4.97 2 0 "[ . 1 . 2]"
43 . 1 28 ARG C 1 29 THR N 1 29 THR CA 1 29 THR C -137.90 -78.50 -119.18 -141.22 -77.30 3.32 2 0 "[ . 1 . 2]"
44 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 PHE N 109.90 166.10 148.05 121.28 168.19 2.09 8 0 "[ . 1 . 2]"
45 . 1 29 THR C 1 30 PHE N 1 30 PHE CA 1 30 PHE C -152.80 -109.60 -112.62 -127.83 -128.18 6.46 10 4 "[ . + -.* * 2]"
46 . 1 30 PHE N 1 30 PHE CA 1 30 PHE C 1 31 ARG N 122.40 171.20 125.29 115.75 150.67 6.65 16 2 "[ . 1 - .+ 2]"
47 . 1 33 ASN C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -165.60 -117.80 -132.22 -127.67 -130.43 3.26 16 0 "[ . 1 . 2]"
48 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 MET N 123.00 169.20 132.39 141.93 126.95 5.18 7 1 "[ . + 1 . 2]"
49 . 1 34 ALA C 1 35 MET N 1 35 MET CA 1 35 MET C -150.40 -110.40 -141.71 -151.89 -123.75 1.49 2 0 "[ . 1 . 2]"
50 . 1 35 MET N 1 35 MET CA 1 35 MET C 1 36 GLY N 122.70 162.90 142.44 118.48 168.43 5.53 10 2 "[ . + . -2]"
51 . 1 35 MET C 1 36 GLY N 1 36 GLY CA 1 36 GLY C 156.20 -98.00 -139.94 -177.61 -99.27 . . 0 "[ . 1 . 2]"
52 . 1 36 GLY N 1 36 GLY CA 1 36 GLY C 1 37 TRP N 137.60 -165.20 157.31 135.35 -171.99 2.25 13 0 "[ . 1 . 2]"
53 . 1 36 GLY C 1 37 TRP N 1 37 TRP CA 1 37 TRP C -167.30 -81.90 -106.30 -110.98 -119.55 . . 0 "[ . 1 . 2]"
54 . 1 37 TRP N 1 37 TRP CA 1 37 TRP C 1 38 PHE N 117.80 164.60 131.39 117.89 149.40 . . 0 "[ . 1 . 2]"
55 . 1 37 TRP C 1 38 PHE N 1 38 PHE CA 1 38 PHE C -146.50 -106.50 -126.72 -127.28 -132.97 . . 0 "[ . 1 . 2]"
56 . 1 38 PHE N 1 38 PHE CA 1 38 PHE C 1 39 ARG N 125.30 171.10 156.38 133.91 172.07 0.97 4 0 "[ . 1 . 2]"
57 . 1 38 PHE C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -156.40 -104.80 -125.49 -104.14 -107.39 2.57 2 0 "[ . 1 . 2]"
58 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 GLN N 119.80 159.80 135.61 142.03 141.51 1.65 13 0 "[ . 1 . 2]"
59 . 1 39 ARG C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -177.60 -65.60 -123.98 -155.07 -98.23 . . 0 "[ . 1 . 2]"
60 . 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 ALA N 132.60 174.60 134.36 128.12 154.60 4.48 12 0 "[ . 1 . 2]"
61 . 1 40 GLN C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -166.80 -26.80 -106.19 -125.36 -141.79 . . 0 "[ . 1 . 2]"
62 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 PRO N 134.60 -175.00 152.82 160.78 158.69 . . 0 "[ . 1 . 2]"
63 . 1 42 PRO C 1 43 GLY N 1 43 GLY CA 1 43 GLY C 65.10 105.10 90.45 74.76 104.79 . . 0 "[ . 1 . 2]"
64 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 LYS N -17.00 23.00 5.25 0.40 -7.74 1.20 9 0 "[ . 1 . 2]"
65 . 1 43 GLY C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -150.30 -86.10 -121.48 -139.51 -97.99 . . 0 "[ . 1 . 2]"
66 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 GLU N 132.10 172.10 160.69 152.49 145.32 2.47 15 0 "[ . 1 . 2]"
67 . 1 44 LYS C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -95.60 -55.60 -78.38 -96.59 -58.25 0.99 17 0 "[ . 1 . 2]"
68 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 ARG N 116.90 173.90 165.35 144.36 176.48 2.58 17 0 "[ . 1 . 2]"
69 . 1 45 GLU C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -105.80 -45.60 -78.59 -103.67 -55.81 . . 0 "[ . 1 . 2]"
70 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 GLU N 107.60 155.20 127.93 106.79 157.48 2.28 16 0 "[ . 1 . 2]"
71 . 1 46 ARG C 1 47 GLU N 1 47 GLU CA 1 47 GLU C -151.90 -95.10 -103.72 -98.00 -103.68 2.79 9 0 "[ . 1 . 2]"
72 . 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 PHE N 114.90 155.90 137.13 125.65 143.91 . . 0 "[ . 1 . 2]"
73 . 1 47 GLU C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -87.50 -47.50 -69.66 -83.27 -62.76 . . 0 "[ . 1 . 2]"
74 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 VAL N 110.40 150.40 113.83 118.12 116.47 3.77 18 0 "[ . 1 . 2]"
75 . 1 48 PHE C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -126.60 -66.20 -94.41 -97.18 -99.92 . . 0 "[ . 1 . 2]"
76 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 ALA N -64.60 -24.60 -53.08 -61.47 -40.43 . . 0 "[ . 1 . 2]"
77 . 1 49 VAL C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -176.60 -136.60 -153.39 -148.83 -151.19 . . 0 "[ . 1 . 2]"
78 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 ALA N 134.50 174.50 168.41 159.36 176.47 1.97 15 0 "[ . 1 . 2]"
79 . 1 50 ALA C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -163.60 -123.60 -151.92 -132.19 -139.39 . . 0 "[ . 1 . 2]"
80 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 ILE N 122.60 165.20 134.00 141.41 138.47 3.55 10 0 "[ . 1 . 2]"
81 . 1 51 ALA C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -151.40 -111.40 -116.36 -122.65 -127.01 2.72 11 0 "[ . 1 . 2]"
82 . 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 ARG N 117.50 163.10 117.95 111.44 128.08 6.06 5 2 "[ + - 1 . 2]"
83 . 1 52 ILE C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -119.50 -47.50 -106.61 -121.28 -63.28 1.78 18 0 "[ . 1 . 2]"
84 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 TRP N 91.00 176.20 144.89 -175.84 179.03 8.38 2 2 "[ + . 1 - 2]"
85 . 1 55 SER C 1 56 GLY N 1 56 GLY CA 1 56 GLY C 67.70 108.10 96.23 106.42 99.48 3.41 15 0 "[ . 1 . 2]"
86 . 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 GLY N -18.30 31.70 6.08 -18.44 -18.89 2.16 20 0 "[ . 1 . 2]"
87 . 1 58 SER C 1 59 THR N 1 59 THR CA 1 59 THR C -172.70 -90.70 -157.71 -160.55 -163.90 . . 0 "[ . 1 . 2]"
88 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 TYR N 126.00 176.00 125.24 117.68 149.73 8.32 20 3 "[ . -1 *. +]"
89 . 1 59 THR C 1 60 TYR N 1 60 TYR CA 1 60 TYR C -168.00 -79.00 -161.75 -171.38 -147.39 3.38 9 0 "[ . 1 . 2]"
90 . 1 60 TYR N 1 60 TYR CA 1 60 TYR C 1 61 TYR N 114.30 171.70 129.39 111.81 154.58 2.49 12 0 "[ . 1 . 2]"
91 . 1 60 TYR C 1 61 TYR N 1 61 TYR CA 1 61 TYR C -164.60 -100.60 -163.93 -166.63 -158.56 2.03 12 0 "[ . 1 . 2]"
92 . 1 61 TYR N 1 61 TYR CA 1 61 TYR C 1 62 ALA N 129.40 173.40 150.86 134.99 167.04 . . 0 "[ . 1 . 2]"
93 . 1 61 TYR C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -93.30 -44.10 -78.65 -78.47 -79.00 1.38 15 0 "[ . 1 . 2]"
94 . 1 62 ALA N 1 62 ALA CA 1 62 ALA C 1 63 ASP N 111.80 167.00 157.27 158.46 157.63 1.13 12 0 "[ . 1 . 2]"
95 . 1 62 ALA C 1 63 ASP N 1 63 ASP CA 1 63 ASP C -77.90 -37.90 -63.48 -70.76 -57.32 . . 0 "[ . 1 . 2]"
96 . 1 63 ASP N 1 63 ASP CA 1 63 ASP C 1 64 SER N -54.40 -14.40 -29.85 -32.39 -33.28 . . 0 "[ . 1 . 2]"
97 . 1 63 ASP C 1 64 SER N 1 64 SER CA 1 64 SER C -88.50 -48.50 -66.91 -64.01 -65.55 . . 0 "[ . 1 . 2]"
98 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 VAL N -38.40 1.60 -31.68 -39.02 -16.06 0.62 20 0 "[ . 1 . 2]"
99 . 1 64 SER C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -126.90 -85.50 -109.68 -118.13 -125.06 . . 0 "[ . 1 . 2]"
100 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 LYS N -16.50 30.30 8.42 -7.12 20.52 . . 0 "[ . 1 . 2]"
101 . 1 65 VAL C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -80.80 -36.80 -63.63 -77.89 -48.92 . . 0 "[ . 1 . 2]"
102 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 GLY N 106.20 146.20 122.79 128.69 124.83 . . 0 "[ . 1 . 2]"
103 . 1 66 LYS C 1 67 GLY N 1 67 GLY CA 1 67 GLY C 64.60 108.60 90.87 76.11 105.41 . . 0 "[ . 1 . 2]"
104 . 1 67 GLY N 1 67 GLY CA 1 67 GLY C 1 68 ARG N -27.50 17.30 -24.92 -0.14 -16.58 2.22 3 0 "[ . 1 . 2]"
105 . 1 68 ARG C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -162.20 -85.80 -90.19 -108.30 -84.26 1.54 12 0 "[ . 1 . 2]"
106 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 THR N 122.70 173.90 122.83 119.66 132.66 3.04 2 0 "[ . 1 . 2]"
107 . 1 69 PHE C 1 70 THR N 1 70 THR CA 1 70 THR C -154.20 -105.00 -134.85 -130.55 -134.94 . . 0 "[ . 1 . 2]"
108 . 1 70 THR N 1 70 THR CA 1 70 THR C 1 71 ILE N 113.40 153.40 142.13 127.48 153.82 0.42 11 0 "[ . 1 . 2]"
109 . 1 70 THR C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -143.50 -103.50 -123.81 -116.23 -119.20 1.02 8 0 "[ . 1 . 2]"
110 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 SER N 115.10 159.10 147.55 138.82 159.23 0.13 9 0 "[ . 1 . 2]"
111 . 1 71 ILE C 1 72 SER N 1 72 SER CA 1 72 SER C -161.20 -118.00 -149.68 -147.00 -148.67 1.79 6 0 "[ . 1 . 2]"
112 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 ARG N 135.70 179.70 145.43 149.21 146.56 2.63 20 0 "[ . 1 . 2]"
113 . 1 72 SER C 1 73 ARG N 1 73 ARG CA 1 73 ARG C -163.10 -111.10 -122.22 -152.01 -107.96 3.14 13 0 "[ . 1 . 2]"
114 . 1 73 ARG N 1 73 ARG CA 1 73 ARG C 1 74 ASP N 124.80 174.40 128.07 127.45 125.05 4.73 14 0 "[ . 1 . 2]"
115 . 1 73 ARG C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -143.90 -79.70 -107.98 -105.27 -109.03 . . 0 "[ . 1 . 2]"
116 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 ASN N 90.40 131.40 111.52 94.64 90.65 3.44 1 0 "[ . 1 . 2]"
117 . 1 74 ASP C 1 75 ASN N 1 75 ASN CA 1 75 ASN C -86.20 -46.20 -76.80 -89.58 -61.34 3.38 13 0 "[ . 1 . 2]"
118 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 ALA N -53.00 -13.00 -20.69 -35.93 -11.57 1.43 4 0 "[ . 1 . 2]"
119 . 1 75 ASN C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -88.40 -48.40 -58.51 -67.07 -51.39 . . 0 "[ . 1 . 2]"
120 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 LYS N -59.70 -18.30 -43.53 -53.79 -33.58 . . 0 "[ . 1 . 2]"
121 . 1 76 ALA C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -118.00 -78.00 -118.30 -116.60 -118.02 3.26 5 0 "[ . 1 . 2]"
122 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 ASN N -24.50 15.50 6.45 7.60 5.17 1.60 3 0 "[ . 1 . 2]"
123 . 1 77 LYS C 1 78 ASN N 1 78 ASN CA 1 78 ASN C 34.50 74.50 53.77 44.45 63.28 . . 0 "[ . 1 . 2]"
124 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 THR N 27.10 67.10 60.93 28.62 70.37 3.27 18 0 "[ . 1 . 2]"
125 . 1 78 ASN C 1 79 THR N 1 79 THR CA 1 79 THR C -154.90 -114.90 -131.86 -132.71 -134.68 3.51 16 0 "[ . 1 . 2]"
126 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 VAL N 134.00 175.60 131.70 129.27 133.79 4.73 7 0 "[ . 1 . 2]"
127 . 1 79 THR C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -143.80 -103.80 -105.46 -106.25 -107.83 3.36 19 0 "[ . 1 . 2]"
128 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 TYR N 117.20 157.20 132.42 120.43 151.16 . . 0 "[ . 1 . 2]"
129 . 1 80 VAL C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -144.50 -88.50 -112.91 -102.45 -105.29 . . 0 "[ . 1 . 2]"
130 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 LEU N 110.60 157.60 143.85 139.62 137.76 . . 0 "[ . 1 . 2]"
131 . 1 81 TYR C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -132.10 -91.50 -125.15 -133.92 -92.35 1.82 8 0 "[ . 1 . 2]"
132 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 GLN N 101.20 141.20 98.47 97.64 97.14 4.92 19 0 "[ . 1 . 2]"
133 . 1 82 LEU C 1 83 GLN N 1 83 GLN CA 1 83 GLN C -122.90 -79.50 -86.40 -87.73 -89.98 . . 0 "[ . 1 . 2]"
134 . 1 83 GLN N 1 83 GLN CA 1 83 GLN C 1 84 MET N 101.90 141.90 101.44 99.50 98.85 3.86 15 0 "[ . 1 . 2]"
135 . 1 83 GLN C 1 84 MET N 1 84 MET CA 1 84 MET C -137.60 -85.00 -95.32 -87.56 -90.74 1.67 20 0 "[ . 1 . 2]"
136 . 1 84 MET N 1 84 MET CA 1 84 MET C 1 85 ASN N 97.20 155.60 119.67 119.08 112.91 . . 0 "[ . 1 . 2]"
137 . 1 84 MET C 1 85 ASN N 1 85 ASN CA 1 85 ASN C -165.50 -78.10 -117.42 -154.86 -91.81 . . 0 "[ . 1 . 2]"
138 . 1 85 ASN N 1 85 ASN CA 1 85 ASN C 1 86 SER N 127.60 -172.40 151.55 144.87 138.37 . . 0 "[ . 1 . 2]"
139 . 1 85 ASN C 1 86 SER N 1 86 SER CA 1 86 SER C 29.00 69.00 56.69 42.92 61.71 . . 0 "[ . 1 . 2]"
140 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 LEU N 31.90 71.90 60.47 33.45 73.11 1.21 18 0 "[ . 1 . 2]"
141 . 1 86 SER C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -87.10 -39.50 -75.66 -88.24 -56.85 1.14 8 0 "[ . 1 . 2]"
142 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 LYS N 110.80 159.80 149.15 126.26 162.50 2.70 18 0 "[ . 1 . 2]"
143 . 1 87 LEU C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -159.40 -52.80 -106.06 -132.06 -79.47 . . 0 "[ . 1 . 2]"
144 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 PRO N 77.10 -164.90 152.23 155.66 153.87 . . 0 "[ . 1 . 2]"
145 . 1 89 PRO C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -93.30 -50.30 -70.72 -72.92 -76.48 . . 0 "[ . 1 . 2]"
146 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 ASP N -35.10 15.90 -14.07 -31.73 3.68 . . 0 "[ . 1 . 2]"
147 . 1 90 GLU C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -105.00 -65.00 -83.68 -84.90 -86.67 . . 0 "[ . 1 . 2]"
148 . 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 THR N -27.70 37.30 26.43 30.33 27.52 0.90 19 0 "[ . 1 . 2]"
149 . 1 91 ASP C 1 92 THR N 1 92 THR CA 1 92 THR C -91.80 -39.80 -82.74 -91.66 -73.33 . . 0 "[ . 1 . 2]"
150 . 1 92 THR N 1 92 THR CA 1 92 THR C 1 93 ALA N 93.60 162.00 93.90 89.38 105.59 4.22 13 0 "[ . 1 . 2]"
151 . 1 92 THR C 1 93 ALA N 1 93 ALA CA 1 93 ALA C 108.70 -42.90 -163.32 -173.96 -153.76 . . 0 "[ . 1 . 2]"
152 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 VAL N 76.20 -128.40 179.25 156.18 -166.07 . . 0 "[ . 1 . 2]"
153 . 1 93 ALA C 1 94 VAL N 1 94 VAL CA 1 94 VAL C -122.70 -68.10 -105.23 -110.44 -113.93 1.07 19 0 "[ . 1 . 2]"
154 . 1 94 VAL N 1 94 VAL CA 1 94 VAL C 1 95 TYR N 107.40 147.40 110.59 112.85 112.04 2.15 12 0 "[ . 1 . 2]"
155 . 1 94 VAL C 1 95 TYR N 1 95 TYR CA 1 95 TYR C -126.20 -86.20 -86.02 -95.56 -82.06 4.14 20 0 "[ . 1 . 2]"
156 . 1 95 TYR N 1 95 TYR CA 1 95 TYR C 1 96 LEU N 110.00 153.00 126.39 108.73 153.14 1.27 16 0 "[ . 1 . 2]"
157 . 1 95 TYR C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -149.40 -109.40 -126.33 -139.81 -144.28 1.38 20 0 "[ . 1 . 2]"
158 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 CYS N 117.30 157.30 142.18 120.90 158.60 1.30 12 0 "[ . 1 . 2]"
159 . 1 96 LEU C 1 97 CYS N 1 97 CYS CA 1 97 CYS C -153.80 -91.80 -93.37 -109.81 -87.74 4.06 17 0 "[ . 1 . 2]"
160 . 1 97 CYS N 1 97 CYS CA 1 97 CYS C 1 98 ALA N 117.00 157.00 148.24 114.69 161.62 4.62 1 0 "[ . 1 . 2]"
161 . 1 97 CYS C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -151.50 -111.30 -128.77 -148.42 -107.78 3.52 17 0 "[ . 1 . 2]"
162 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 ALA N 117.60 157.60 144.93 158.45 158.22 2.03 10 0 "[ . 1 . 2]"
163 . 1 98 ALA C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -154.60 -114.60 -127.11 -142.40 -152.44 4.93 11 0 "[ . 1 . 2]"
164 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 GLY N 117.50 167.70 143.03 169.07 167.68 3.01 13 0 "[ . 1 . 2]"
165 . 1 99 ALA C 1 100 GLY N 1 100 GLY CA 1 100 GLY C 141.40 -119.40 -161.64 165.77 155.96 2.75 4 0 "[ . 1 . 2]"
166 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C 1 101 VAL N 151.30 -153.90 -177.97 -154.97 -158.84 4.30 4 0 "[ . 1 . 2]"
167 . 1 100 GLY C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -169.50 -9.50 -120.04 -153.94 -62.75 . . 0 "[ . 1 . 2]"
168 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 TRP N 21.80 -132.20 144.88 179.72 170.19 2.46 15 0 "[ . 1 . 2]"
169 . 1 101 VAL C 1 102 TRP N 1 102 TRP CA 1 102 TRP C -143.10 -5.10 -70.53 -74.86 -79.61 . . 0 "[ . 1 . 2]"
170 . 1 102 TRP N 1 102 TRP CA 1 102 TRP C 1 103 ARG N 81.80 -175.60 121.50 148.85 144.05 0.85 7 0 "[ . 1 . 2]"
171 . 1 102 TRP C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -134.00 -46.00 -94.12 -136.77 -63.17 2.77 18 0 "[ . 1 . 2]"
172 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 SER N 144.80 -175.20 154.12 147.62 143.01 5.86 15 1 "[ . 1 + 2]"
173 . 1 103 ARG C 1 104 SER N 1 104 SER CA 1 104 SER C -84.50 -44.50 -69.26 -65.99 -66.73 4.86 15 0 "[ . 1 . 2]"
174 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 SER N -40.70 -0.70 -20.70 -20.15 -20.26 1.15 15 0 "[ . 1 . 2]"
175 . 1 104 SER C 1 105 SER N 1 105 SER CA 1 105 SER C -104.70 -64.70 -70.34 -80.99 -64.18 0.52 8 0 "[ . 1 . 2]"
176 . 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 GLY N -24.00 16.00 -21.58 -26.24 14.30 2.24 16 0 "[ . 1 . 2]"
177 . 1 105 SER C 1 106 GLY N 1 106 GLY CA 1 106 GLY C 76.50 116.50 100.14 83.14 113.59 . . 0 "[ . 1 . 2]"
178 . 1 106 GLY N 1 106 GLY CA 1 106 GLY C 1 107 TRP N -28.20 11.80 -16.78 -31.24 19.02 7.22 18 1 "[ . 1 . + 2]"
179 . 1 106 GLY C 1 107 TRP N 1 107 TRP CA 1 107 TRP C -94.20 -54.20 -78.52 -95.24 -51.79 2.41 18 0 "[ . 1 . 2]"
180 . 1 107 TRP N 1 107 TRP CA 1 107 TRP C 1 108 ASP N 112.00 160.40 134.86 151.95 148.90 2.16 6 0 "[ . 1 . 2]"
181 . 1 107 TRP C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -123.40 -48.40 -77.59 -86.85 -95.07 . . 0 "[ . 1 . 2]"
182 . 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 THR N 92.20 168.00 121.88 92.25 162.95 . . 0 "[ . 1 . 2]"
183 . 1 108 ASP C 1 109 THR N 1 109 THR CA 1 109 THR C -165.00 -40.00 -116.96 -146.79 -40.91 . . 0 "[ . 1 . 2]"
184 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 PRO N 109.00 173.40 123.01 113.71 109.51 4.07 1 0 "[ . 1 . 2]"
185 . 1 110 PRO C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -107.20 -57.20 -79.83 -102.81 -57.76 . . 0 "[ . 1 . 2]"
186 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 TYR N -47.90 -7.90 -31.48 -40.23 -42.68 2.66 12 0 "[ . 1 . 2]"
187 . 1 111 ASP C 1 112 TYR N 1 112 TYR CA 1 112 TYR C -168.60 -113.00 -123.59 -142.01 -111.07 1.93 16 0 "[ . 1 . 2]"
188 . 1 112 TYR N 1 112 TYR CA 1 112 TYR C 1 113 TRP N 126.30 169.10 148.86 123.92 169.00 2.38 11 0 "[ . 1 . 2]"
189 . 1 112 TYR C 1 113 TRP N 1 113 TRP CA 1 113 TRP C -160.60 -69.80 -125.19 -135.48 -137.10 . . 0 "[ . 1 . 2]"
190 . 1 113 TRP N 1 113 TRP CA 1 113 TRP C 1 114 GLY N 122.10 163.10 155.32 128.88 165.36 2.26 1 0 "[ . 1 . 2]"
191 . 1 116 GLY C 1 117 THR N 1 117 THR CA 1 117 THR C -147.00 -101.40 -110.33 -96.56 -97.75 5.56 2 3 "[ + .- 1 . *]"
192 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 GLN N 108.70 148.70 120.09 121.16 119.37 1.89 20 0 "[ . 1 . 2]"
193 . 1 117 THR C 1 118 GLN N 1 118 GLN CA 1 118 GLN C -104.30 -61.30 -76.73 -81.18 -68.70 . . 0 "[ . 1 . 2]"
194 . 1 118 GLN N 1 118 GLN CA 1 118 GLN C 1 119 VAL N 102.30 142.30 107.08 98.56 122.79 3.74 3 0 "[ . 1 . 2]"
195 . 1 118 GLN C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -134.70 -87.70 -100.18 -103.09 -105.26 2.17 9 0 "[ . 1 . 2]"
196 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 THR N 98.90 150.90 139.71 130.57 126.60 1.10 10 0 "[ . 1 . 2]"
197 . 1 119 VAL C 1 120 THR N 1 120 THR CA 1 120 THR C -132.50 -92.50 -131.35 -135.25 -120.04 2.75 5 0 "[ . 1 . 2]"
198 . 1 120 THR N 1 120 THR CA 1 120 THR C 1 121 VAL N 105.20 149.20 108.65 118.58 114.60 3.14 8 0 "[ . 1 . 2]"
199 . 1 120 THR C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -128.10 -88.10 -93.45 -113.66 -87.05 1.05 8 0 "[ . 1 . 2]"
200 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 SER N 99.20 148.20 100.19 108.72 105.79 4.97 7 0 "[ . 1 . 2]"
201 . 1 121 VAL C 1 122 SER N 1 122 SER CA 1 122 SER C -149.70 -43.70 -63.14 -61.88 -64.43 . . 0 "[ . 1 . 2]"
202 . 1 122 SER N 1 122 SER CA 1 122 SER C 1 123 SER N 110.80 174.60 144.36 129.17 158.02 . . 0 "[ . 1 . 2]"
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