NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564714 |
2lw8   |
18613 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lw8
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 237
_TA_constraint_stats_list.Viol_count 556
_TA_constraint_stats_list.Viol_total 5043.44
_TA_constraint_stats_list.Viol_max 6.90
_TA_constraint_stats_list.Viol_rms 0.63
_TA_constraint_stats_list.Viol_average_all_restraints 0.21
_TA_constraint_stats_list.Viol_average_violations_only 0.91
_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 SER N 1 2 SER CA 1 2 SER C -90.00 -58.00 -73.14 -89.97 -60.42 . . 0 "[ . 1]"
2 . 1 2 SER N 1 2 SER CA 1 2 SER C 1 3 ASN N -51.00 -11.00 -48.43 -48.42 -49.02 . . 0 "[ . 1]"
3 . 1 3 ASN C 1 4 GLU N 1 4 GLU CA 1 4 GLU C -149.00 -85.00 -113.05 -103.56 -125.74 . . 0 "[ . 1]"
4 . 1 4 GLU N 1 4 GLU CA 1 4 GLU C 1 5 VAL N 143.00 157.00 152.98 145.43 156.93 . . 0 "[ . 1]"
5 . 1 4 GLU C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -144.00 -102.00 -109.79 -113.10 -120.48 . . 0 "[ . 1]"
6 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 THR N 150.00 168.00 158.93 151.77 168.32 0.32 9 0 "[ . 1]"
7 . 1 5 VAL C 1 6 THR N 1 6 THR CA 1 6 THR C -133.00 -75.00 -90.47 -122.85 -75.92 . . 0 "[ . 1]"
8 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 LEU N 124.00 154.00 144.67 133.42 154.37 0.37 10 0 "[ . 1]"
9 . 1 6 THR C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -97.00 -65.00 -72.24 -88.33 -64.88 0.12 3 0 "[ . 1]"
10 . 1 7 LEU C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -166.00 -124.00 -156.27 -163.74 -165.37 0.39 10 0 "[ . 1]"
11 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 ASP N 108.00 168.00 134.58 115.22 165.51 . . 0 "[ . 1]"
12 . 1 8 LEU C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -129.00 -95.00 -122.34 -124.16 -124.80 . . 0 "[ . 1]"
13 . 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 SER N 113.00 159.00 150.25 142.62 160.31 1.31 3 0 "[ . 1]"
14 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 ARG N -44.00 -32.00 -30.52 -31.87 -27.43 4.57 7 0 "[ . 1]"
15 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 SER N -46.00 -34.00 -40.35 -46.64 -33.96 0.64 7 0 "[ . 1]"
16 . 1 11 ARG C 1 12 SER N 1 12 SER CA 1 12 SER C -70.00 -56.00 -62.07 -70.62 -55.83 0.62 2 0 "[ . 1]"
17 . 1 12 SER C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -89.00 -65.00 -81.62 -65.33 -85.55 1.70 3 0 "[ . 1]"
18 . 1 15 GLY C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -66.00 -54.00 -58.57 -66.34 -53.29 0.71 7 0 "[ . 1]"
19 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 GLY N -51.00 -13.00 -14.55 -26.05 -9.95 3.05 3 0 "[ . 1]"
20 . 1 19 TRP N 1 19 TRP CA 1 19 TRP C 1 20 ILE N 127.00 149.00 137.51 155.90 150.56 6.90 2 1 "[ + . 1]"
21 . 1 20 ILE C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -138.00 -102.00 -127.35 -140.24 -101.93 2.24 2 0 "[ . 1]"
22 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 PRO N 115.00 159.00 131.86 112.12 157.75 2.88 8 0 "[ . 1]"
23 . 1 23 PRO C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -85.00 -67.00 -68.29 -76.09 -64.23 2.77 8 0 "[ . 1]"
24 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 GLU N -44.00 -22.00 -41.62 -44.41 -36.82 0.41 6 0 "[ . 1]"
25 . 1 27 GLY C 1 28 TRP N 1 28 TRP CA 1 28 TRP C -94.00 -66.00 -66.37 -72.10 -64.15 1.85 5 0 "[ . 1]"
26 . 1 28 TRP N 1 28 TRP CA 1 28 TRP C 1 29 GLU N 124.00 140.00 132.45 122.64 140.29 1.36 5 0 "[ . 1]"
27 . 1 28 TRP C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -145.00 -97.00 -138.76 -141.94 -144.68 0.67 8 0 "[ . 1]"
28 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 GLU N 126.00 166.00 148.69 142.24 154.66 . . 0 "[ . 1]"
29 . 1 29 GLU C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -99.00 -73.00 -96.82 -96.29 -98.53 1.43 4 0 "[ . 1]"
30 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 VAL N 112.00 142.00 116.93 115.04 111.89 1.02 9 0 "[ . 1]"
31 . 1 30 GLU C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -134.00 -106.00 -133.83 -134.21 -134.44 1.41 7 0 "[ . 1]"
32 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 SER N 113.00 137.00 134.83 137.88 137.39 1.30 6 0 "[ . 1]"
33 . 1 31 VAL C 1 32 SER N 1 32 SER CA 1 32 SER C -108.00 -86.00 -95.15 -104.45 -86.13 . . 0 "[ . 1]"
34 . 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 ILE N 127.00 145.00 129.08 124.72 137.33 2.28 6 0 "[ . 1]"
35 . 1 32 SER C 1 33 ILE N 1 33 ILE CA 1 33 ILE C -146.00 -120.00 -129.16 -138.57 -120.47 . . 0 "[ . 1]"
36 . 1 33 ILE N 1 33 ILE CA 1 33 ILE C 1 34 MET N 135.00 171.00 171.03 169.53 168.78 1.30 6 0 "[ . 1]"
37 . 1 33 ILE C 1 34 MET N 1 34 MET CA 1 34 MET C -121.00 -83.00 -86.31 -95.17 -82.10 0.90 7 0 "[ . 1]"
38 . 1 34 MET N 1 34 MET CA 1 34 MET C 1 35 ASP N 124.00 144.00 132.56 126.70 144.11 0.11 6 0 "[ . 1]"
39 . 1 34 MET C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -111.00 -51.00 -105.09 -97.21 -102.80 0.63 7 0 "[ . 1]"
40 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 GLU N 147.00 -173.00 -177.57 -173.43 -173.94 0.69 4 0 "[ . 1]"
41 . 1 35 ASP C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -71.00 -53.00 -56.78 -66.20 -52.69 0.31 10 0 "[ . 1]"
42 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 LYS N -35.00 -11.00 -25.20 -34.95 -18.16 . . 0 "[ . 1]"
43 . 1 36 GLU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -101.00 -83.00 -95.19 -100.69 -100.81 0.19 5 0 "[ . 1]"
44 . 1 37 LYS C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -65.00 -47.00 -63.49 -65.36 -56.12 0.36 2 0 "[ . 1]"
45 . 1 40 PRO C 1 41 ILE N 1 41 ILE CA 1 41 ILE C -130.00 -94.00 -124.76 -130.34 -111.67 0.34 10 0 "[ . 1]"
46 . 1 41 ILE N 1 41 ILE CA 1 41 ILE C 1 42 ARG N 120.00 154.00 148.96 153.99 153.77 0.38 10 0 "[ . 1]"
47 . 1 41 ILE C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -106.00 -70.00 -78.16 -78.52 -81.64 . . 0 "[ . 1]"
48 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 THR N 126.00 160.00 125.64 125.23 124.92 1.21 3 0 "[ . 1]"
49 . 1 42 ARG C 1 43 THR N 1 43 THR CA 1 43 THR C -130.00 -94.00 -125.23 -126.72 -129.54 0.49 1 0 "[ . 1]"
50 . 1 43 THR C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -158.00 -118.00 -126.08 -127.57 -140.44 1.41 10 0 "[ . 1]"
51 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 GLN N 139.00 159.00 136.98 136.66 136.32 3.07 3 0 "[ . 1]"
52 . 1 44 TYR C 1 45 GLN N 1 45 GLN CA 1 45 GLN C -153.00 -125.00 -136.95 -148.61 -125.85 . . 0 "[ . 1]"
53 . 1 45 GLN N 1 45 GLN CA 1 45 GLN C 1 46 VAL N 135.00 155.00 146.35 142.40 136.54 0.89 4 0 "[ . 1]"
54 . 1 45 GLN C 1 46 VAL N 1 46 VAL CA 1 46 VAL C -136.00 -116.00 -136.41 -135.23 -136.47 1.65 4 0 "[ . 1]"
55 . 1 46 VAL N 1 46 VAL CA 1 46 VAL C 1 47 CYS N 107.00 147.00 121.77 106.69 150.08 3.08 5 0 "[ . 1]"
56 . 1 47 CYS N 1 47 CYS CA 1 47 CYS C 1 48 ASN N 108.00 128.00 117.06 126.74 122.57 6.35 9 1 "[ . +1]"
57 . 1 48 ASN N 1 48 ASN CA 1 48 ASN C 1 49 VAL N 105.00 165.00 103.74 104.02 103.46 1.72 6 0 "[ . 1]"
58 . 1 53 SER C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -86.00 -54.00 -74.16 -87.19 -52.95 1.19 6 0 "[ . 1]"
59 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 ASN N 131.00 151.00 142.58 147.99 140.59 1.01 1 0 "[ . 1]"
60 . 1 56 ASN N 1 56 ASN CA 1 56 ASN C 1 57 TRP N 117.00 149.00 125.06 115.42 150.22 1.58 2 0 "[ . 1]"
61 . 1 56 ASN C 1 57 TRP N 1 57 TRP CA 1 57 TRP C -124.00 -66.00 -98.12 -125.80 -74.75 1.80 2 0 "[ . 1]"
62 . 1 57 TRP N 1 57 TRP CA 1 57 TRP C 1 58 LEU N 116.00 156.00 125.58 134.43 126.24 1.07 10 0 "[ . 1]"
63 . 1 57 TRP C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -139.00 -99.00 -134.17 -141.64 -115.96 2.64 2 0 "[ . 1]"
64 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 ARG N 123.00 147.00 133.68 138.33 137.24 . . 0 "[ . 1]"
65 . 1 59 ARG C 1 60 THR N 1 60 THR CA 1 60 THR C -134.00 -82.00 -127.17 -138.42 -110.94 4.42 8 0 "[ . 1]"
66 . 1 62 TRP C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -148.00 -114.00 -134.27 -148.62 -113.93 0.62 3 0 "[ . 1]"
67 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 THR N 136.00 168.00 150.17 137.20 167.14 . . 0 "[ . 1]"
68 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 ARG N 114.00 146.00 136.42 113.55 145.68 0.45 2 0 "[ . 1]"
69 . 1 64 THR C 1 65 ARG N 1 65 ARG CA 1 65 ARG C -132.00 -92.00 -122.39 -133.00 -91.94 1.00 2 0 "[ . 1]"
70 . 1 65 ARG N 1 65 ARG CA 1 65 ARG C 1 66 GLU N 138.00 166.00 157.52 164.57 162.69 . . 0 "[ . 1]"
71 . 1 65 ARG C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -131.00 -67.00 -107.68 -131.23 -67.24 0.23 3 0 "[ . 1]"
72 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 GLY N 151.00 -177.00 167.15 150.90 -177.91 0.10 2 0 "[ . 1]"
73 . 1 67 GLY C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -106.00 -42.00 -72.94 -105.65 -42.11 . . 0 "[ . 1]"
74 . 1 69 GLN N 1 69 GLN CA 1 69 GLN C 1 70 ARG N -38.00 -20.00 -38.07 -39.04 -37.54 1.04 4 0 "[ . 1]"
75 . 1 69 GLN C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -138.00 -98.00 -134.50 -136.60 -137.86 1.33 10 0 "[ . 1]"
76 . 1 70 ARG C 1 71 VAL N 1 71 VAL CA 1 71 VAL C -152.00 -112.00 -132.59 -140.83 -126.16 . . 0 "[ . 1]"
77 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 ILE N 131.00 165.00 131.76 130.04 129.38 1.84 10 0 "[ . 1]"
78 . 1 72 TYR C 1 73 ILE N 1 73 ILE CA 1 73 ILE C -146.00 -112.00 -126.55 -124.89 -135.13 . . 0 "[ . 1]"
79 . 1 73 ILE N 1 73 ILE CA 1 73 ILE C 1 74 GLU N 128.00 154.00 136.17 126.71 151.97 1.29 9 0 "[ . 1]"
80 . 1 73 ILE C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -141.00 -101.00 -120.37 -117.59 -121.54 . . 0 "[ . 1]"
81 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 ILE N 110.00 150.00 120.78 109.09 150.43 0.91 2 0 "[ . 1]"
82 . 1 74 GLU C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -141.00 -101.00 -110.78 -101.37 -107.82 0.33 6 0 "[ . 1]"
83 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 LYS N 116.00 156.00 134.22 134.32 134.03 . . 0 "[ . 1]"
84 . 1 75 ILE C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -155.00 -105.00 -115.03 -131.44 -108.04 . . 0 "[ . 1]"
85 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 PHE N 121.00 171.00 118.97 117.86 119.89 3.14 6 0 "[ . 1]"
86 . 1 76 LYS C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -136.00 -118.00 -140.23 -141.30 -138.78 5.30 6 1 "[ .+ 1]"
87 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 THR N 133.00 161.00 160.69 154.38 162.54 1.54 9 0 "[ . 1]"
88 . 1 77 PHE C 1 78 THR N 1 78 THR CA 1 78 THR C -141.00 -117.00 -126.55 -126.94 -130.68 . . 0 "[ . 1]"
89 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 LEU N 128.00 168.00 129.10 125.22 146.28 2.78 2 0 "[ . 1]"
90 . 1 78 THR C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -154.00 -104.00 -114.69 -117.90 -120.74 0.64 10 0 "[ . 1]"
91 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 ARG N 128.00 162.00 147.49 133.09 163.04 1.04 4 0 "[ . 1]"
92 . 1 79 LEU C 1 80 ARG N 1 80 ARG CA 1 80 ARG C -131.00 -73.00 -86.48 -81.91 -84.51 . . 0 "[ . 1]"
93 . 1 80 ARG N 1 80 ARG CA 1 80 ARG C 1 81 ASP N 110.00 160.00 133.58 127.79 113.15 . . 0 "[ . 1]"
94 . 1 80 ARG C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -117.00 -51.00 -68.99 -83.46 -50.70 0.30 6 0 "[ . 1]"
95 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 CYS N 124.00 168.00 127.90 139.52 127.40 2.76 7 0 "[ . 1]"
96 . 1 82 CYS C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -83.00 -57.00 -66.85 -70.57 -73.18 0.45 10 0 "[ . 1]"
97 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 SER N -38.00 -22.00 -25.04 -31.00 -21.62 0.38 5 0 "[ . 1]"
98 . 1 83 ASN C 1 84 SER N 1 84 SER CA 1 84 SER C -107.00 -75.00 -87.30 -87.04 -90.27 . . 0 "[ . 1]"
99 . 1 84 SER N 1 84 SER CA 1 84 SER C 1 85 LEU N -29.00 1.00 -17.69 -23.24 -11.57 . . 0 "[ . 1]"
100 . 1 84 SER C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -107.00 -67.00 -73.11 -75.47 -83.29 1.07 7 0 "[ . 1]"
101 . 1 91 THR C 1 92 CYS N 1 92 CYS CA 1 92 CYS C -154.00 -116.00 -115.70 -115.30 -115.77 2.10 6 0 "[ . 1]"
102 . 1 92 CYS N 1 92 CYS CA 1 92 CYS C 1 93 LYS N 127.00 157.00 132.65 126.07 148.80 0.93 7 0 "[ . 1]"
103 . 1 92 CYS C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -127.00 -87.00 -103.66 -118.89 -87.51 . . 0 "[ . 1]"
104 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 GLU N 130.00 166.00 157.10 155.73 134.23 0.79 4 0 "[ . 1]"
105 . 1 93 LYS C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -149.00 -89.00 -137.02 -149.41 -107.08 0.41 3 0 "[ . 1]"
106 . 1 95 THR C 1 96 PHE N 1 96 PHE CA 1 96 PHE C -158.00 -98.00 -128.66 -120.83 -129.30 . . 0 "[ . 1]"
107 . 1 96 PHE N 1 96 PHE CA 1 96 PHE C 1 97 ASN N 119.00 169.00 154.43 169.09 168.41 0.50 2 0 "[ . 1]"
108 . 1 96 PHE C 1 97 ASN N 1 97 ASN CA 1 97 ASN C -151.00 -91.00 -111.84 -127.17 -128.51 . . 0 "[ . 1]"
109 . 1 97 ASN N 1 97 ASN CA 1 97 ASN C 1 98 LEU N 118.00 168.00 132.72 135.38 130.24 . . 0 "[ . 1]"
110 . 1 97 ASN C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -157.00 -107.00 -110.90 -109.71 -112.05 0.38 4 0 "[ . 1]"
111 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 TYR N 117.00 157.00 136.22 121.27 145.23 . . 0 "[ . 1]"
112 . 1 98 LEU C 1 99 TYR N 1 99 TYR CA 1 99 TYR C -150.00 -120.00 -133.85 -128.22 -129.80 . . 0 "[ . 1]"
113 . 1 99 TYR N 1 99 TYR CA 1 99 TYR C 1 100 TYR N 136.00 170.00 162.05 149.06 170.60 0.60 3 0 "[ . 1]"
114 . 1 99 TYR C 1 100 TYR N 1 100 TYR CA 1 100 TYR C -159.00 -99.00 -135.94 -159.73 -100.01 0.73 7 0 "[ . 1]"
115 . 1 100 TYR N 1 100 TYR CA 1 100 TYR C 1 101 TYR N 121.00 171.00 165.12 159.57 170.67 . . 0 "[ . 1]"
116 . 1 100 TYR C 1 101 TYR N 1 101 TYR CA 1 101 TYR C -161.00 -101.00 -156.92 -162.58 -140.02 1.58 7 0 "[ . 1]"
117 . 1 101 TYR N 1 101 TYR CA 1 101 TYR C 1 102 GLU N 102.00 152.00 122.38 141.91 129.22 0.34 5 0 "[ . 1]"
118 . 1 101 TYR C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -156.00 -96.00 -129.69 -156.83 -97.02 0.83 7 0 "[ . 1]"
119 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 SER N 135.00 169.00 144.91 134.21 156.13 0.79 6 0 "[ . 1]"
120 . 1 102 GLU C 1 103 SER N 1 103 SER CA 1 103 SER C -166.00 -88.00 -146.52 -89.57 -148.34 0.53 6 0 "[ . 1]"
121 . 1 103 SER N 1 103 SER CA 1 103 SER C 1 104 ASP N 141.00 171.00 160.20 141.15 171.65 0.65 7 0 "[ . 1]"
122 . 1 103 SER C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -105.00 -75.00 -92.35 -105.53 -74.18 0.82 7 0 "[ . 1]"
123 . 1 104 ASP C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -69.00 -55.00 -62.22 -69.33 -54.97 0.33 6 0 "[ . 1]"
124 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 ASP N -42.00 -24.00 -38.18 -40.61 -40.88 0.08 3 0 "[ . 1]"
125 . 1 109 ARG C 1 110 PHE N 1 110 PHE CA 1 110 PHE C -79.00 -65.00 -72.21 -65.28 -70.67 0.48 7 0 "[ . 1]"
126 . 1 110 PHE N 1 110 PHE CA 1 110 PHE C 1 111 ILE N 126.00 144.00 141.51 132.88 144.60 0.60 8 0 "[ . 1]"
127 . 1 110 PHE C 1 111 ILE N 1 111 ILE CA 1 111 ILE C -86.00 -52.00 -67.38 -85.25 -53.25 . . 0 "[ . 1]"
128 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C 1 112 ARG N -47.00 -25.00 -34.41 -41.79 -26.92 . . 0 "[ . 1]"
129 . 1 111 ILE C 1 112 ARG N 1 112 ARG CA 1 112 ARG C -68.00 -58.00 -63.87 -62.16 -62.97 0.02 5 0 "[ . 1]"
130 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C 1 113 GLU N -53.00 -23.00 -45.79 -52.62 -33.58 . . 0 "[ . 1]"
131 . 1 112 ARG C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -84.00 -44.00 -63.62 -80.30 -54.06 . . 0 "[ . 1]"
132 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 ASN N -60.00 -20.00 -47.70 -45.95 -47.87 . . 0 "[ . 1]"
133 . 1 113 GLU C 1 114 ASN N 1 114 ASN CA 1 114 ASN C -68.00 -54.00 -60.49 -66.01 -54.02 . . 0 "[ . 1]"
134 . 1 114 ASN N 1 114 ASN CA 1 114 ASN C 1 115 GLN N -52.00 -34.00 -44.61 -37.31 -44.01 0.20 3 0 "[ . 1]"
135 . 1 115 GLN C 1 116 PHE N 1 116 PHE CA 1 116 PHE C -82.00 -62.00 -70.99 -81.93 -61.87 0.13 3 0 "[ . 1]"
136 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 LYS N 100.00 128.00 116.62 101.04 127.36 . . 0 "[ . 1]"
137 . 1 117 VAL C 1 118 LYS N 1 118 LYS CA 1 118 LYS C -84.00 -56.00 -69.30 -83.59 -56.59 . . 0 "[ . 1]"
138 . 1 118 LYS N 1 118 LYS CA 1 118 LYS C 1 119 ILE N 113.00 153.00 135.94 126.09 148.63 . . 0 "[ . 1]"
139 . 1 118 LYS C 1 119 ILE N 1 119 ILE CA 1 119 ILE C -115.00 -65.00 -88.33 -89.50 -94.43 . . 0 "[ . 1]"
140 . 1 119 ILE C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -169.00 -125.00 -168.54 -169.17 -169.45 0.88 5 0 "[ . 1]"
141 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 THR N 132.00 178.00 175.68 176.85 171.63 0.90 7 0 "[ . 1]"
142 . 1 120 ASP C 1 121 THR N 1 121 THR CA 1 121 THR C -142.00 -92.00 -98.87 -108.08 -90.96 1.04 4 0 "[ . 1]"
143 . 1 121 THR N 1 121 THR CA 1 121 THR C 1 122 ILE N 103.00 153.00 128.94 130.00 128.78 . . 0 "[ . 1]"
144 . 1 121 THR C 1 122 ILE N 1 122 ILE CA 1 122 ILE C -116.00 -66.00 -114.87 -116.09 -116.89 1.15 1 0 "[ . 1]"
145 . 1 122 ILE N 1 122 ILE CA 1 122 ILE C 1 123 ALA N 91.00 151.00 141.47 140.02 139.10 . . 0 "[ . 1]"
146 . 1 122 ILE C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -149.00 -115.00 -143.99 -149.80 -134.21 0.80 8 0 "[ . 1]"
147 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 ALA N 140.00 166.00 166.18 164.82 168.50 2.50 6 0 "[ . 1]"
148 . 1 123 ALA C 1 124 ALA N 1 124 ALA CA 1 124 ALA C -126.00 -58.00 -61.77 -73.03 -55.54 2.46 6 0 "[ . 1]"
149 . 1 127 SER C 1 128 PHE N 1 128 PHE CA 1 128 PHE C -129.00 -67.00 -94.32 -123.33 -66.47 0.53 5 0 "[ . 1]"
150 . 1 128 PHE N 1 128 PHE CA 1 128 PHE C 1 129 THR N 121.00 159.00 123.25 120.90 126.99 0.10 8 0 "[ . 1]"
151 . 1 128 PHE C 1 129 THR N 1 129 THR CA 1 129 THR C -149.00 -87.00 -123.47 -142.64 -108.60 . . 0 "[ . 1]"
152 . 1 129 THR N 1 129 THR CA 1 129 THR C 1 130 GLN N 108.00 146.00 134.55 108.40 145.41 . . 0 "[ . 1]"
153 . 1 129 THR C 1 130 GLN N 1 130 GLN CA 1 130 GLN C -114.00 -80.00 -96.40 -89.82 -101.13 . . 0 "[ . 1]"
154 . 1 130 GLN N 1 130 GLN CA 1 130 GLN C 1 131 VAL N 108.00 140.00 110.31 107.60 119.48 0.40 8 0 "[ . 1]"
155 . 1 130 GLN C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -123.00 -107.00 -117.80 -120.77 -121.82 . . 0 "[ . 1]"
156 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 ASP N 119.00 143.00 143.37 141.69 145.51 2.51 9 0 "[ . 1]"
157 . 1 131 VAL C 1 132 ASP N 1 132 ASP CA 1 132 ASP C -90.00 -74.00 -79.53 -81.18 -83.52 1.58 9 0 "[ . 1]"
158 . 1 132 ASP N 1 132 ASP CA 1 132 ASP C 1 133 ILE N 93.00 153.00 98.55 93.45 93.15 1.15 8 0 "[ . 1]"
159 . 1 132 ASP C 1 133 ILE N 1 133 ILE CA 1 133 ILE C -122.00 -82.00 -116.04 -121.63 -121.67 1.98 8 0 "[ . 1]"
160 . 1 133 ILE N 1 133 ILE CA 1 133 ILE C 1 134 GLY N 100.00 160.00 154.27 146.43 160.85 0.85 1 0 "[ . 1]"
161 . 1 134 GLY C 1 135 ASP N 1 135 ASP CA 1 135 ASP C -80.00 -64.00 -77.91 -79.87 -80.04 0.40 3 0 "[ . 1]"
162 . 1 135 ASP N 1 135 ASP CA 1 135 ASP C 1 136 ARG N -54.00 -6.00 -53.16 -50.98 -53.38 3.61 7 0 "[ . 1]"
163 . 1 137 ILE C 1 138 MET N 1 138 MET CA 1 138 MET C -97.00 -81.00 -93.56 -91.03 -92.74 0.20 9 0 "[ . 1]"
164 . 1 138 MET N 1 138 MET CA 1 138 MET C 1 139 LYS N -31.00 17.00 -16.16 -30.29 -31.36 4.35 9 0 "[ . 1]"
165 . 1 138 MET C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -122.00 -106.00 -118.41 -122.01 -122.65 2.71 9 0 "[ . 1]"
166 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 LEU N 102.00 162.00 101.30 101.48 100.97 4.12 9 0 "[ . 1]"
167 . 1 139 LYS C 1 140 LEU N 1 140 LEU CA 1 140 LEU C -85.00 -45.00 -86.00 -85.63 -86.12 5.41 9 1 "[ . +1]"
168 . 1 140 LEU N 1 140 LEU CA 1 140 LEU C 1 141 ASN N 97.00 147.00 131.95 117.48 140.74 . . 0 "[ . 1]"
169 . 1 140 LEU C 1 141 ASN N 1 141 ASN CA 1 141 ASN C -140.00 -80.00 -123.33 -140.21 -97.76 0.21 9 0 "[ . 1]"
170 . 1 141 ASN N 1 141 ASN CA 1 141 ASN C 1 142 THR N 121.00 -179.00 127.83 127.77 126.30 . . 0 "[ . 1]"
171 . 1 141 ASN C 1 142 THR N 1 142 THR CA 1 142 THR C -123.00 -103.00 -121.76 -124.70 -116.76 1.70 9 0 "[ . 1]"
172 . 1 142 THR N 1 142 THR CA 1 142 THR C 1 143 GLU N 120.00 140.00 131.77 135.79 135.03 . . 0 "[ . 1]"
173 . 1 142 THR C 1 143 GLU N 1 143 GLU CA 1 143 GLU C -144.00 -110.00 -126.54 -125.63 -126.74 . . 0 "[ . 1]"
174 . 1 143 GLU N 1 143 GLU CA 1 143 GLU C 1 144 ILE N 131.00 151.00 130.76 129.41 131.69 1.59 9 0 "[ . 1]"
175 . 1 143 GLU C 1 144 ILE N 1 144 ILE CA 1 144 ILE C -125.00 -95.00 -104.05 -104.50 -105.91 1.52 9 0 "[ . 1]"
176 . 1 144 ILE N 1 144 ILE CA 1 144 ILE C 1 145 ARG N 117.00 157.00 133.44 128.92 124.67 0.25 7 0 "[ . 1]"
177 . 1 144 ILE C 1 145 ARG N 1 145 ARG CA 1 145 ARG C -155.00 -95.00 -129.50 -130.49 -134.75 . . 0 "[ . 1]"
178 . 1 145 ARG N 1 145 ARG CA 1 145 ARG C 1 146 ASP N 117.00 177.00 166.05 141.75 177.95 0.95 9 0 "[ . 1]"
179 . 1 145 ARG C 1 146 ASP N 1 146 ASP CA 1 146 ASP C -136.00 -98.00 -133.72 -128.84 -134.07 1.56 9 0 "[ . 1]"
180 . 1 146 ASP N 1 146 ASP CA 1 146 ASP C 1 147 VAL N 133.00 167.00 151.16 141.30 161.81 . . 0 "[ . 1]"
181 . 1 146 ASP C 1 147 VAL N 1 147 VAL CA 1 147 VAL C -158.00 -102.00 -152.63 -153.36 -156.13 1.24 8 0 "[ . 1]"
182 . 1 147 VAL N 1 147 VAL CA 1 147 VAL C 1 148 GLY N 142.00 166.00 158.46 163.62 154.15 0.93 7 0 "[ . 1]"
183 . 1 150 LEU C 1 151 SER N 1 151 SER CA 1 151 SER C -70.00 -62.00 -64.42 -63.10 -68.24 1.11 6 0 "[ . 1]"
184 . 1 151 SER N 1 151 SER CA 1 151 SER C 1 152 LYS N -45.00 -39.00 -40.78 -45.50 -33.87 5.13 1 1 "[+ . 1]"
185 . 1 151 SER C 1 152 LYS N 1 152 LYS CA 1 152 LYS C -71.00 -59.00 -62.05 -71.76 -54.32 4.68 1 0 "[ . 1]"
186 . 1 152 LYS N 1 152 LYS CA 1 152 LYS C 1 153 LYS N -47.00 -25.00 -32.23 -42.15 -49.11 2.11 1 0 "[ . 1]"
187 . 1 154 GLY C 1 155 PHE N 1 155 PHE CA 1 155 PHE C -142.00 -82.00 -129.80 -142.68 -89.94 0.68 2 0 "[ . 1]"
188 . 1 155 PHE N 1 155 PHE CA 1 155 PHE C 1 156 TYR N 110.00 170.00 135.51 109.70 109.65 1.02 9 0 "[ . 1]"
189 . 1 155 PHE C 1 156 TYR N 1 156 TYR CA 1 156 TYR C -161.00 -101.00 -137.33 -139.32 -153.38 1.09 7 0 "[ . 1]"
190 . 1 156 TYR N 1 156 TYR CA 1 156 TYR C 1 157 LEU N 122.00 -178.00 150.19 140.67 134.08 . . 0 "[ . 1]"
191 . 1 156 TYR C 1 157 LEU N 1 157 LEU CA 1 157 LEU C -150.00 -90.00 -118.38 -149.37 -95.20 . . 0 "[ . 1]"
192 . 1 157 LEU N 1 157 LEU CA 1 157 LEU C 1 158 ALA N 136.00 150.00 146.26 136.91 151.35 1.35 3 0 "[ . 1]"
193 . 1 157 LEU C 1 158 ALA N 1 158 ALA CA 1 158 ALA C -141.00 -117.00 -138.58 -141.07 -141.46 1.75 8 0 "[ . 1]"
194 . 1 158 ALA N 1 158 ALA CA 1 158 ALA C 1 159 PHE N 135.00 159.00 147.11 144.52 136.22 0.30 7 0 "[ . 1]"
195 . 1 158 ALA C 1 159 PHE N 1 159 PHE CA 1 159 PHE C -155.00 -119.00 -129.61 -145.60 -118.27 0.73 1 0 "[ . 1]"
196 . 1 159 PHE N 1 159 PHE CA 1 159 PHE C 1 160 GLN N 120.00 180.00 153.01 153.27 146.79 . . 0 "[ . 1]"
197 . 1 159 PHE C 1 160 GLN N 1 160 GLN CA 1 160 GLN C -139.00 -79.00 -133.55 -139.71 -113.37 0.71 6 0 "[ . 1]"
198 . 1 160 GLN N 1 160 GLN CA 1 160 GLN C 1 161 ASP N 110.00 140.00 125.54 127.41 123.73 . . 0 "[ . 1]"
199 . 1 160 GLN C 1 161 ASP N 1 161 ASP CA 1 161 ASP C -151.00 -91.00 -103.51 -107.08 -119.92 0.14 2 0 "[ . 1]"
200 . 1 161 ASP N 1 161 ASP CA 1 161 ASP C 1 162 VAL N 103.00 163.00 126.28 102.43 136.91 0.57 3 0 "[ . 1]"
201 . 1 161 ASP C 1 162 VAL N 1 162 VAL CA 1 162 VAL C -137.00 -77.00 -121.10 -99.36 -131.35 0.28 6 0 "[ . 1]"
202 . 1 162 VAL N 1 162 VAL CA 1 162 VAL C 1 163 GLY N 87.00 147.00 106.80 84.92 126.73 2.08 4 0 "[ . 1]"
203 . 1 163 GLY C 1 164 ALA N 1 164 ALA CA 1 164 ALA C -151.00 -91.00 -143.14 -142.77 -149.09 0.78 7 0 "[ . 1]"
204 . 1 164 ALA N 1 164 ALA CA 1 164 ALA C 1 165 CYS N 103.00 163.00 160.20 156.88 148.38 4.68 9 0 "[ . 1]"
205 . 1 164 ALA C 1 165 CYS N 1 165 CYS CA 1 165 CYS C -153.00 -93.00 -115.60 -100.65 -103.80 . . 0 "[ . 1]"
206 . 1 165 CYS N 1 165 CYS CA 1 165 CYS C 1 166 ILE N 101.00 161.00 104.60 119.87 112.01 1.87 6 0 "[ . 1]"
207 . 1 165 CYS C 1 166 ILE N 1 166 ILE CA 1 166 ILE C -147.00 -115.00 -142.69 -148.32 -133.61 1.32 6 0 "[ . 1]"
208 . 1 166 ILE N 1 166 ILE CA 1 166 ILE C 1 167 ALA N 134.00 166.00 149.25 133.47 162.91 0.53 6 0 "[ . 1]"
209 . 1 166 ILE C 1 167 ALA N 1 167 ALA CA 1 167 ALA C -129.00 -69.00 -124.24 -124.36 -127.37 1.70 9 0 "[ . 1]"
210 . 1 167 ALA N 1 167 ALA CA 1 167 ALA C 1 168 LEU N 97.00 157.00 154.42 156.98 155.99 0.41 9 0 "[ . 1]"
211 . 1 167 ALA C 1 168 LEU N 1 168 LEU CA 1 168 LEU C -107.00 -85.00 -99.02 -107.80 -87.37 0.80 3 0 "[ . 1]"
212 . 1 168 LEU N 1 168 LEU CA 1 168 LEU C 1 169 VAL N 106.00 166.00 110.96 105.02 127.93 0.98 10 0 "[ . 1]"
213 . 1 168 LEU C 1 169 VAL N 1 169 VAL CA 1 169 VAL C -101.00 -41.00 -81.96 -85.71 -95.93 . . 0 "[ . 1]"
214 . 1 169 VAL N 1 169 VAL CA 1 169 VAL C 1 170 SER N -64.00 -8.00 -55.59 -58.20 -50.64 . . 0 "[ . 1]"
215 . 1 169 VAL C 1 170 SER N 1 170 SER CA 1 170 SER C 169.00 -131.00 -169.18 -169.69 -171.74 . . 0 "[ . 1]"
216 . 1 170 SER N 1 170 SER CA 1 170 SER C 1 171 VAL N 125.00 -175.00 169.59 162.46 -176.99 . . 0 "[ . 1]"
217 . 1 170 SER C 1 171 VAL N 1 171 VAL CA 1 171 VAL C -150.00 -90.00 -148.33 -150.59 -140.99 0.59 2 0 "[ . 1]"
218 . 1 171 VAL N 1 171 VAL CA 1 171 VAL C 1 172 ARG N 104.00 164.00 117.79 103.56 156.98 0.44 3 0 "[ . 1]"
219 . 1 171 VAL C 1 172 ARG N 1 172 ARG CA 1 172 ARG C -155.00 -95.00 -116.44 -118.26 -139.60 . . 0 "[ . 1]"
220 . 1 172 ARG N 1 172 ARG CA 1 172 ARG C 1 173 VAL N 102.00 162.00 156.02 146.13 162.44 0.44 6 0 "[ . 1]"
221 . 1 172 ARG C 1 173 VAL N 1 173 VAL CA 1 173 VAL C -146.00 -86.00 -128.73 -145.80 -107.18 . . 0 "[ . 1]"
222 . 1 173 VAL C 1 174 PHE N 1 174 PHE CA 1 174 PHE C -152.00 -92.00 -152.42 -154.15 -149.67 2.15 10 0 "[ . 1]"
223 . 1 174 PHE N 1 174 PHE CA 1 174 PHE C 1 175 TYR N 109.00 169.00 164.86 149.53 169.56 0.56 7 0 "[ . 1]"
224 . 1 174 PHE C 1 175 TYR N 1 175 TYR CA 1 175 TYR C -158.00 -98.00 -127.20 -99.80 -103.36 . . 0 "[ . 1]"
225 . 1 175 TYR N 1 175 TYR CA 1 175 TYR C 1 176 LYS N 115.00 175.00 162.98 156.15 150.27 0.13 6 0 "[ . 1]"
226 . 1 175 TYR C 1 176 LYS N 1 176 LYS CA 1 176 LYS C -137.00 -77.00 -133.39 -136.93 -137.08 0.28 4 0 "[ . 1]"
227 . 1 176 LYS N 1 176 LYS CA 1 176 LYS C 1 177 LYS N 97.00 157.00 142.20 98.72 155.95 . . 0 "[ . 1]"
228 . 1 176 LYS C 1 177 LYS N 1 177 LYS CA 1 177 LYS C -111.00 -51.00 -88.51 -95.01 -103.14 0.11 5 0 "[ . 1]"
229 . 1 177 LYS N 1 177 LYS CA 1 177 LYS C 1 178 ALA N 98.00 158.00 129.29 116.83 102.52 0.01 4 0 "[ . 1]"
230 . 1 177 LYS C 1 178 ALA N 1 178 ALA CA 1 178 ALA C -92.00 -32.00 -55.79 -49.14 -54.41 . . 0 "[ . 1]"
231 . 1 178 ALA N 1 178 ALA CA 1 178 ALA C 1 179 PRO N -58.00 2.00 -54.00 -54.94 -52.61 . . 0 "[ . 1]"
232 . 1 179 PRO C 1 180 LEU N 1 180 LEU CA 1 180 LEU C -109.00 -49.00 -85.27 -82.81 -85.01 . . 0 "[ . 1]"
233 . 1 180 LEU N 1 180 LEU CA 1 180 LEU C 1 181 THR N 109.00 169.00 142.99 114.38 163.88 . . 0 "[ . 1]"
234 . 1 180 LEU C 1 181 THR N 1 181 THR CA 1 181 THR C -124.00 -64.00 -100.71 -122.93 -65.87 . . 0 "[ . 1]"
235 . 1 181 THR N 1 181 THR CA 1 181 THR C 1 182 VAL N 113.00 173.00 129.98 127.19 122.25 . . 0 "[ . 1]"
236 . 1 181 THR C 1 182 VAL N 1 182 VAL CA 1 182 VAL C -146.00 -86.00 -131.63 -145.55 -87.69 . . 0 "[ . 1]"
237 . 1 182 VAL N 1 182 VAL CA 1 182 VAL C 1 183 ARG N 96.00 156.00 129.55 140.07 114.38 . . 0 "[ . 1]"
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