NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598249 |
2n6l   |
25768 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n6l
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 179
_TA_constraint_stats_list.Viol_count 312
_TA_constraint_stats_list.Viol_total 654.27
_TA_constraint_stats_list.Viol_max 0.66
_TA_constraint_stats_list.Viol_rms 0.04
_TA_constraint_stats_list.Viol_average_all_restraints 0.01
_TA_constraint_stats_list.Viol_average_violations_only 0.10
_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 HIS C 1 3 LYS N 1 3 LYS CA 1 3 LYS C -171.82 -89.68 -145.70 -133.90 -136.74 . . 0 "[ . 1 . 2]"
2 . 1 3 LYS N 1 3 LYS CA 1 3 LYS C 1 4 ALA N 129.65 -153.59 160.62 159.84 157.51 . . 0 "[ . 1 . 2]"
3 . 1 3 LYS C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -89.03 -36.57 -68.03 -87.03 -59.22 . . 0 "[ . 1 . 2]"
4 . 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 GLY N 106.24 163.42 130.45 115.49 144.98 . . 0 "[ . 1 . 2]"
5 . 1 4 ALA C 1 5 GLY N 1 5 GLY CA 1 5 GLY C 64.16 124.16 103.72 98.26 96.89 . . 0 "[ . 1 . 2]"
6 . 1 5 GLY N 1 5 GLY CA 1 5 GLY C 1 6 ASP N -44.65 15.35 15.34 15.50 15.48 0.27 2 0 "[ . 1 . 2]"
7 . 1 5 GLY C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -97.02 -54.68 -76.50 -97.07 -59.39 0.05 20 0 "[ . 1 . 2]"
8 . 1 6 ASP N 1 6 ASP CA 1 6 ASP C 1 7 PHE N 108.15 -179.45 144.15 123.68 169.56 . . 0 "[ . 1 . 2]"
9 . 1 6 ASP C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -149.99 -89.99 -111.60 -104.33 -108.47 . . 0 "[ . 1 . 2]"
10 . 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 ILE N 96.88 156.88 130.59 122.62 121.61 . . 0 "[ . 1 . 2]"
11 . 1 7 PHE C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -153.99 -98.07 -135.99 -146.38 -123.92 . . 0 "[ . 1 . 2]"
12 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 ILE N 109.36 149.36 142.10 139.28 137.65 0.07 5 0 "[ . 1 . 2]"
13 . 1 8 ILE C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -156.10 -95.30 -113.18 -139.85 -95.11 0.19 18 0 "[ . 1 . 2]"
14 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 ARG N 97.31 177.13 139.32 106.67 158.83 . . 0 "[ . 1 . 2]"
15 . 1 9 ILE C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -177.68 -77.78 -144.44 -146.18 -151.68 . . 0 "[ . 1 . 2]"
16 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 GLY N 118.21 -174.31 147.97 133.99 168.00 . . 0 "[ . 1 . 2]"
17 . 1 12 GLY C 1 13 PHE N 1 13 PHE CA 1 13 PHE C -156.72 -75.02 -142.22 -154.38 -131.48 . . 0 "[ . 1 . 2]"
18 . 1 13 PHE N 1 13 PHE CA 1 13 PHE C 1 14 ALA N 89.47 161.93 147.92 141.03 138.45 0.18 10 0 "[ . 1 . 2]"
19 . 1 13 PHE C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -135.50 -71.60 -108.27 -135.53 -71.39 0.21 10 0 "[ . 1 . 2]"
20 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 THR N 105.85 151.69 139.19 136.87 133.47 0.08 14 0 "[ . 1 . 2]"
21 . 1 14 ALA C 1 15 THR N 1 15 THR CA 1 15 THR C -171.33 -67.15 -103.22 -156.27 -69.04 . . 0 "[ . 1 . 2]"
22 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 VAL N 117.13 157.13 134.54 117.98 155.76 . . 0 "[ . 1 . 2]"
23 . 1 19 ASP C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -106.49 -31.75 -84.73 -89.38 -93.48 . . 0 "[ . 1 . 2]"
24 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 SER N -72.96 7.12 -45.08 -40.44 -46.89 . . 0 "[ . 1 . 2]"
25 . 1 40 ASP C 1 41 SER N 1 41 SER CA 1 41 SER C -108.86 -41.26 -88.75 -108.77 -60.74 . . 0 "[ . 1 . 2]"
26 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 ASP N -63.27 11.09 -37.19 -54.28 -56.97 0.12 11 0 "[ . 1 . 2]"
27 . 1 42 ASP C 1 43 THR N 1 43 THR CA 1 43 THR C -139.59 -56.13 -109.56 -139.61 -65.16 0.02 11 0 "[ . 1 . 2]"
28 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 GLN N 107.88 169.66 142.65 110.43 168.82 . . 0 "[ . 1 . 2]"
29 . 1 43 THR C 1 44 GLN N 1 44 GLN CA 1 44 GLN C -165.63 -68.35 -123.13 -163.88 -77.13 . . 0 "[ . 1 . 2]"
30 . 1 44 GLN N 1 44 GLN CA 1 44 GLN C 1 45 LEU N 103.79 163.79 133.04 150.27 141.37 0.11 6 0 "[ . 1 . 2]"
31 . 1 44 GLN C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -136.83 -58.33 -68.50 -61.47 -63.02 . . 0 "[ . 1 . 2]"
32 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 GLY N 98.70 146.68 122.19 131.51 124.68 0.03 2 0 "[ . 1 . 2]"
33 . 1 46 GLY C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -164.68 -102.52 -114.39 -110.14 -113.05 0.02 19 0 "[ . 1 . 2]"
34 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 THR N 127.55 167.55 135.61 127.72 127.57 0.11 1 0 "[ . 1 . 2]"
35 . 1 47 LEU C 1 48 THR N 1 48 THR CA 1 48 THR C -158.71 -94.55 -142.70 -138.45 -141.20 . . 0 "[ . 1 . 2]"
36 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 PHE N 132.42 178.20 141.93 132.34 155.83 0.08 18 0 "[ . 1 . 2]"
37 . 1 48 THR C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -164.63 -82.05 -120.30 -113.53 -117.49 . . 0 "[ . 1 . 2]"
38 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 THR N 104.67 161.57 113.16 104.58 125.96 0.09 14 0 "[ . 1 . 2]"
39 . 1 49 PHE C 1 50 THR N 1 50 THR CA 1 50 THR C -168.96 -94.86 -98.15 -115.39 -94.61 0.25 16 0 "[ . 1 . 2]"
40 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 TYR N 108.67 148.67 131.06 110.09 146.01 . . 0 "[ . 1 . 2]"
41 . 1 50 THR C 1 51 TYR N 1 51 TYR CA 1 51 TYR C -150.52 -85.50 -114.94 -136.64 -101.76 . . 0 "[ . 1 . 2]"
42 . 1 51 TYR N 1 51 TYR CA 1 51 TYR C 1 52 MET N 100.97 140.97 105.01 100.77 126.56 0.20 2 0 "[ . 1 . 2]"
43 . 1 51 TYR C 1 52 MET N 1 52 MET CA 1 52 MET C -152.21 -57.55 -71.18 -117.16 -58.57 . . 0 "[ . 1 . 2]"
44 . 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 PHE N 73.99 164.91 128.53 124.56 123.37 . . 0 "[ . 1 . 2]"
45 . 1 52 MET C 1 53 PHE N 1 53 PHE CA 1 53 PHE C -137.90 -69.86 -135.48 -137.21 -137.91 0.20 17 0 "[ . 1 . 2]"
46 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 ALA N 97.37 157.37 97.25 97.10 97.38 0.27 20 0 "[ . 1 . 2]"
47 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 ASP N 120.69 -169.31 -175.71 177.78 -169.46 . . 0 "[ . 1 . 2]"
48 . 1 55 ASP C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -150.02 -70.02 -150.38 -150.68 -150.09 0.66 2 0 "[ . 1 . 2]"
49 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 TRP N -64.18 55.82 -36.48 -45.07 -34.75 . . 0 "[ . 1 . 2]"
50 . 1 56 LYS C 1 57 TRP N 1 57 TRP CA 1 57 TRP C 166.04 -63.96 -97.59 -108.65 -90.38 . . 0 "[ . 1 . 2]"
51 . 1 57 TRP N 1 57 TRP CA 1 57 TRP C 1 58 GLY N 133.95 -166.05 148.12 158.91 153.75 . . 0 "[ . 1 . 2]"
52 . 1 58 GLY C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -157.02 -100.78 -109.56 -148.70 -100.60 0.18 11 0 "[ . 1 . 2]"
53 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 GLU N 111.02 151.02 141.21 132.55 125.37 0.10 13 0 "[ . 1 . 2]"
54 . 1 59 VAL C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -146.93 -94.17 -138.14 -147.13 -118.64 0.20 7 0 "[ . 1 . 2]"
55 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 LEU N 111.57 151.57 136.94 150.34 148.51 0.02 20 0 "[ . 1 . 2]"
56 . 1 60 GLU C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -155.06 -87.94 -113.12 -136.06 -96.25 . . 0 "[ . 1 . 2]"
57 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 VAL N 110.37 150.37 139.85 147.30 137.52 0.13 17 0 "[ . 1 . 2]"
58 . 1 61 LEU C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -140.97 -100.97 -112.76 -129.08 -100.83 0.14 4 0 "[ . 1 . 2]"
59 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 ALA N 107.63 155.63 143.66 141.45 140.16 . . 0 "[ . 1 . 2]"
60 . 1 62 VAL C 1 63 ALA N 1 63 ALA CA 1 63 ALA C 179.58 -106.04 -155.20 -169.24 -138.20 . . 0 "[ . 1 . 2]"
61 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 ALA N 119.29 -171.89 136.75 119.24 170.17 0.05 16 0 "[ . 1 . 2]"
62 . 1 63 ALA C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -149.95 -96.07 -126.75 -118.33 -125.45 . . 0 "[ . 1 . 2]"
63 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 THR N 113.77 163.65 160.26 141.26 163.72 0.07 14 0 "[ . 1 . 2]"
64 . 1 64 ALA C 1 65 THR N 1 65 THR CA 1 65 THR C -157.85 -79.33 -113.23 -130.89 -140.12 . . 0 "[ . 1 . 2]"
65 . 1 65 THR N 1 65 THR CA 1 65 THR C 1 66 PRO N 72.90 -175.96 105.67 98.14 94.93 . . 0 "[ . 1 . 2]"
66 . 1 88 LYS C 1 89 GLN N 1 89 GLN CA 1 89 GLN C -152.32 -65.30 -109.09 -150.34 -66.12 . . 0 "[ . 1 . 2]"
67 . 1 89 GLN N 1 89 GLN CA 1 89 GLN C 1 90 LEU N 86.42 174.50 127.01 152.46 143.82 . . 0 "[ . 1 . 2]"
68 . 1 89 GLN C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -122.85 -49.97 -91.19 -89.57 -105.84 . . 0 "[ . 1 . 2]"
69 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 PRO N 93.58 171.78 125.97 135.94 131.36 0.06 8 0 "[ . 1 . 2]"
70 . 1 90 LEU C 1 91 PRO N 1 91 PRO CA 1 91 PRO C -90.33 -50.33 -65.84 -76.20 -76.29 0.01 3 0 "[ . 1 . 2]"
71 . 1 91 PRO N 1 91 PRO CA 1 91 PRO C 1 92 PRO N 128.54 168.54 140.59 128.28 166.92 0.26 19 0 "[ . 1 . 2]"
72 . 1 91 PRO C 1 92 PRO N 1 92 PRO CA 1 92 PRO C -87.11 -39.89 -68.55 -80.47 -51.06 . . 0 "[ . 1 . 2]"
73 . 1 92 PRO N 1 92 PRO CA 1 92 PRO C 1 93 THR N 115.59 165.09 149.17 120.14 165.19 0.10 4 0 "[ . 1 . 2]"
74 . 1 92 PRO C 1 93 THR N 1 93 THR CA 1 93 THR C -158.96 -72.16 -104.46 -75.67 -83.23 . . 0 "[ . 1 . 2]"
75 . 1 93 THR N 1 93 THR CA 1 93 THR C 1 94 LEU N 114.22 155.92 125.18 125.65 122.42 0.14 12 0 "[ . 1 . 2]"
76 . 1 93 THR C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -140.32 -96.68 -105.37 -123.65 -96.62 0.06 15 0 "[ . 1 . 2]"
77 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 LEU N 108.69 160.23 140.00 145.35 142.17 . . 0 "[ . 1 . 2]"
78 . 1 94 LEU C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -169.62 -80.68 -135.00 -146.61 -114.82 . . 0 "[ . 1 . 2]"
79 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 LEU N 110.15 177.73 134.36 153.08 137.70 . . 0 "[ . 1 . 2]"
80 . 1 95 LEU C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -158.21 -80.37 -94.45 -131.51 -80.14 0.23 19 0 "[ . 1 . 2]"
81 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 GLN N 100.71 168.35 139.28 138.08 134.43 . . 0 "[ . 1 . 2]"
82 . 1 96 LEU C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -168.07 -103.19 -123.08 -150.51 -104.03 . . 0 "[ . 1 . 2]"
83 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 TYR N 104.53 177.57 138.62 118.41 164.97 . . 0 "[ . 1 . 2]"
84 . 1 97 GLN C 1 98 TYR N 1 98 TYR CA 1 98 TYR C -149.73 -94.77 -132.89 -149.76 -112.99 0.03 8 0 "[ . 1 . 2]"
85 . 1 98 TYR N 1 98 TYR CA 1 98 TYR C 1 99 TYR N 110.10 150.10 140.85 150.31 150.24 0.21 2 0 "[ . 1 . 2]"
86 . 1 98 TYR C 1 99 TYR N 1 99 TYR CA 1 99 TYR C -141.25 -47.07 -110.54 -107.38 -116.62 0.03 4 0 "[ . 1 . 2]"
87 . 1 99 TYR N 1 99 TYR CA 1 99 TYR C 1 100 PRO N 73.58 169.20 91.80 94.63 91.17 0.15 13 0 "[ . 1 . 2]"
88 . 1 99 TYR C 1 100 PRO N 1 100 PRO CA 1 100 PRO C -76.95 -36.95 -65.79 -76.95 -55.04 . . 0 "[ . 1 . 2]"
89 . 1 100 PRO N 1 100 PRO CA 1 100 PRO C 1 101 MET N -51.00 -11.00 -45.17 -51.05 -51.06 0.11 6 0 "[ . 1 . 2]"
90 . 1 100 PRO C 1 101 MET N 1 101 MET CA 1 101 MET C -126.65 -74.01 -113.56 -126.84 -73.99 0.19 5 0 "[ . 1 . 2]"
91 . 1 101 MET N 1 101 MET CA 1 101 MET C 1 102 GLY N -27.52 33.34 26.63 31.08 30.96 0.10 11 0 "[ . 1 . 2]"
92 . 1 103 GLY C 1 104 THR N 1 104 THR CA 1 104 THR C -173.77 -85.53 -130.83 -118.21 -121.02 . . 0 "[ . 1 . 2]"
93 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 ASN N 125.95 -170.85 -178.65 179.07 175.84 0.07 19 0 "[ . 1 . 2]"
94 . 1 104 THR C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -124.39 -60.29 -95.70 -110.66 -76.63 . . 0 "[ . 1 . 2]"
95 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 SER N -46.12 18.20 17.02 -8.43 18.43 0.23 3 0 "[ . 1 . 2]"
96 . 1 105 ASN C 1 106 SER N 1 106 SER CA 1 106 SER C -133.73 -31.57 -76.72 -100.63 -57.56 . . 0 "[ . 1 . 2]"
97 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 ALA N 81.55 176.31 154.49 158.79 155.34 0.03 13 0 "[ . 1 . 2]"
98 . 1 106 SER C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -115.74 -50.38 -72.10 -95.60 -59.11 . . 0 "[ . 1 . 2]"
99 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 PHE N -67.43 30.81 -44.93 -67.44 -30.71 0.01 10 0 "[ . 1 . 2]"
100 . 1 107 ALA C 1 108 PHE N 1 108 PHE CA 1 108 PHE C -173.20 -70.98 -86.65 -96.31 -122.02 0.02 12 0 "[ . 1 . 2]"
101 . 1 108 PHE N 1 108 PHE CA 1 108 PHE C 1 109 GLN N 112.08 152.08 131.26 112.14 152.12 0.04 9 0 "[ . 1 . 2]"
102 . 1 108 PHE C 1 109 GLN N 1 109 GLN CA 1 109 GLN C -143.70 -63.70 -119.59 -133.60 -143.75 0.05 1 0 "[ . 1 . 2]"
103 . 1 109 GLN N 1 109 GLN CA 1 109 GLN C 1 110 PRO N 74.54 172.16 90.80 107.29 97.77 0.14 5 0 "[ . 1 . 2]"
104 . 1 109 GLN C 1 110 PRO N 1 110 PRO CA 1 110 PRO C -103.42 -51.92 -67.60 -51.85 -59.19 0.08 2 0 "[ . 1 . 2]"
105 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 TYR N 123.60 -176.40 152.52 173.21 171.12 . . 0 "[ . 1 . 2]"
106 . 1 113 GLY C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -169.56 -108.66 -135.10 -134.03 -139.44 . . 0 "[ . 1 . 2]"
107 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 GLY N 129.46 172.96 141.26 129.39 172.99 0.07 18 0 "[ . 1 . 2]"
108 . 1 115 GLY C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -174.74 -102.86 -131.63 -151.90 -104.06 . . 0 "[ . 1 . 2]"
109 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 ASN N 126.50 -176.40 142.18 126.50 177.59 . . 0 "[ . 1 . 2]"
110 . 1 116 VAL C 1 117 ASN N 1 117 ASN CA 1 117 ASN C -163.03 -93.63 -130.11 -157.50 -93.81 . . 0 "[ . 1 . 2]"
111 . 1 117 ASN N 1 117 ASN CA 1 117 ASN C 1 118 TYR N 107.00 156.04 131.89 121.31 118.46 . . 0 "[ . 1 . 2]"
112 . 1 117 ASN C 1 118 TYR N 1 118 TYR CA 1 118 TYR C -175.38 -62.60 -123.29 -171.49 -62.60 0.00 6 0 "[ . 1 . 2]"
113 . 1 118 TYR N 1 118 TYR CA 1 118 TYR C 1 119 THR N 103.45 179.67 142.30 174.30 171.85 0.08 13 0 "[ . 1 . 2]"
114 . 1 123 ASP C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -102.95 -27.47 -89.90 -103.07 -57.37 0.12 20 0 "[ . 1 . 2]"
115 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 ASP N -71.20 11.10 -32.07 -71.20 11.14 0.04 11 0 "[ . 1 . 2]"
116 . 1 124 GLU C 1 125 ASP N 1 125 ASP CA 1 125 ASP C -83.96 -43.96 -66.30 -78.66 -54.53 . . 0 "[ . 1 . 2]"
117 . 1 125 ASP N 1 125 ASP CA 1 125 ASP C 1 126 LEU N -59.76 -19.76 -42.49 -42.28 -44.86 0.03 5 0 "[ . 1 . 2]"
118 . 1 125 ASP C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -85.19 -45.19 -66.03 -58.49 -59.37 . . 0 "[ . 1 . 2]"
119 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 ALA N -57.82 -11.92 -35.73 -31.31 -31.55 0.10 15 0 "[ . 1 . 2]"
120 . 1 126 LEU C 1 127 ALA N 1 127 ALA CA 1 127 ALA C -85.75 -45.75 -65.86 -62.57 -65.25 . . 0 "[ . 1 . 2]"
121 . 1 127 ALA N 1 127 ALA CA 1 127 ALA C 1 128 SER N -61.34 -10.96 -37.94 -38.76 -43.70 . . 0 "[ . 1 . 2]"
122 . 1 143 SER C 1 144 TRP N 1 144 TRP CA 1 144 TRP C -154.93 -58.71 -107.84 -113.78 -127.57 0.08 8 0 "[ . 1 . 2]"
123 . 1 144 TRP N 1 144 TRP CA 1 144 TRP C 1 145 GLY N 111.73 175.89 140.11 159.99 153.35 0.07 13 0 "[ . 1 . 2]"
124 . 1 148 GLY C 1 149 GLU N 1 149 GLU CA 1 149 GLU C -173.36 -93.70 -146.89 -135.99 -142.29 . . 0 "[ . 1 . 2]"
125 . 1 149 GLU N 1 149 GLU CA 1 149 GLU C 1 150 LEU N 118.06 158.06 145.41 151.68 146.67 0.04 3 0 "[ . 1 . 2]"
126 . 1 149 GLU C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -164.43 -109.17 -118.09 -110.74 -111.35 0.07 12 0 "[ . 1 . 2]"
127 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 GLY N 111.75 167.19 134.14 117.21 153.90 . . 0 "[ . 1 . 2]"
128 . 1 152 PHE C 1 153 ASP N 1 153 ASP CA 1 153 ASP C -173.14 -83.14 -100.72 -85.99 -91.12 0.06 20 0 "[ . 1 . 2]"
129 . 1 153 ASP N 1 153 ASP CA 1 153 ASP C 1 154 TYR N 106.97 167.59 133.01 136.69 134.13 . . 0 "[ . 1 . 2]"
130 . 1 153 ASP C 1 154 TYR N 1 154 TYR CA 1 154 TYR C -154.09 -83.59 -128.79 -154.04 -99.48 . . 0 "[ . 1 . 2]"
131 . 1 154 TYR N 1 154 TYR CA 1 154 TYR C 1 155 MET N 100.93 150.81 121.40 120.43 118.98 0.02 12 0 "[ . 1 . 2]"
132 . 1 154 TYR C 1 155 MET N 1 155 MET CA 1 155 MET C -102.71 -54.71 -88.41 -71.46 -74.54 0.14 13 0 "[ . 1 . 2]"
133 . 1 155 MET N 1 155 MET CA 1 155 MET C 1 156 LEU N 68.42 154.08 120.15 122.85 119.50 . . 0 "[ . 1 . 2]"
134 . 1 155 MET C 1 156 LEU N 1 156 LEU CA 1 156 LEU C -111.71 -47.19 -107.73 -111.75 -93.31 0.04 2 0 "[ . 1 . 2]"
135 . 1 156 LEU N 1 156 LEU CA 1 156 LEU C 1 157 ASN N -60.42 5.78 -20.28 -38.36 -1.23 . . 0 "[ . 1 . 2]"
136 . 1 157 ASN C 1 158 GLU N 1 158 GLU CA 1 158 GLU C -85.68 -45.68 -71.13 -70.27 -71.85 0.30 20 0 "[ . 1 . 2]"
137 . 1 158 GLU N 1 158 GLU CA 1 158 GLU C 1 159 HIS N -47.09 -6.85 -34.74 -47.42 -27.35 0.33 17 0 "[ . 1 . 2]"
138 . 1 158 GLU C 1 159 HIS N 1 159 HIS CA 1 159 HIS C -138.59 -76.93 -111.50 -138.83 -96.63 0.24 17 0 "[ . 1 . 2]"
139 . 1 159 HIS N 1 159 HIS CA 1 159 HIS C 1 160 ALA N -32.22 33.76 23.10 29.72 28.46 0.34 17 0 "[ . 1 . 2]"
140 . 1 160 ALA C 1 161 LEU N 1 161 LEU CA 1 161 LEU C -166.67 -116.83 -123.72 -148.90 -116.38 0.45 4 0 "[ . 1 . 2]"
141 . 1 161 LEU N 1 161 LEU CA 1 161 LEU C 1 162 PHE N 112.50 175.42 140.82 126.00 118.30 . . 0 "[ . 1 . 2]"
142 . 1 161 LEU C 1 162 PHE N 1 162 PHE CA 1 162 PHE C -169.86 -95.66 -107.46 -144.43 -95.57 0.09 17 0 "[ . 1 . 2]"
143 . 1 162 PHE N 1 162 PHE CA 1 162 PHE C 1 163 ASN N 106.73 149.03 132.75 126.75 121.20 0.03 9 0 "[ . 1 . 2]"
144 . 1 162 PHE C 1 163 ASN N 1 163 ASN CA 1 163 ASN C -159.72 -90.68 -124.96 -143.75 -94.10 . . 0 "[ . 1 . 2]"
145 . 1 163 ASN N 1 163 ASN CA 1 163 ASN C 1 164 MET N 105.70 176.28 137.01 171.70 157.13 0.06 7 0 "[ . 1 . 2]"
146 . 1 163 ASN C 1 164 MET N 1 164 MET CA 1 164 MET C 178.85 -94.67 -121.74 -132.21 -133.57 . . 0 "[ . 1 . 2]"
147 . 1 164 MET N 1 164 MET CA 1 164 MET C 1 165 ALA N 116.10 171.94 153.79 160.13 158.86 0.10 12 0 "[ . 1 . 2]"
148 . 1 164 MET C 1 165 ALA N 1 165 ALA CA 1 165 ALA C -168.69 -128.69 -143.05 -131.65 -135.93 0.07 2 0 "[ . 1 . 2]"
149 . 1 165 ALA N 1 165 ALA CA 1 165 ALA C 1 166 VAL N 103.57 -175.33 129.48 132.73 126.90 . . 0 "[ . 1 . 2]"
150 . 1 165 ALA C 1 166 VAL N 1 166 VAL CA 1 166 VAL C 175.31 -71.93 -144.97 -178.73 -127.34 . . 0 "[ . 1 . 2]"
151 . 1 166 VAL N 1 166 VAL CA 1 166 VAL C 1 167 TRP N 121.00 172.72 147.38 120.95 172.75 0.05 4 0 "[ . 1 . 2]"
152 . 1 176 SER C 1 177 ILE N 1 177 ILE CA 1 177 ILE C -162.79 -41.07 -108.92 -91.80 -101.63 . . 0 "[ . 1 . 2]"
153 . 1 177 ILE N 1 177 ILE CA 1 177 ILE C 1 178 ASN N 52.47 -170.39 126.95 154.41 154.07 . . 0 "[ . 1 . 2]"
154 . 1 177 ILE C 1 178 ASN N 1 178 ASN CA 1 178 ASN C -90.51 -36.29 -74.24 -88.44 -59.88 . . 0 "[ . 1 . 2]"
155 . 1 178 ASN N 1 178 ASN CA 1 178 ASN C 1 179 GLY N 115.44 157.92 136.26 115.40 154.44 0.04 20 0 "[ . 1 . 2]"
156 . 1 194 VAL C 1 195 ASP N 1 195 ASP CA 1 195 ASP C -120.84 -53.74 -92.30 -120.80 -53.81 . . 0 "[ . 1 . 2]"
157 . 1 195 ASP N 1 195 ASP CA 1 195 ASP C 1 196 PRO N 106.15 175.27 135.17 161.77 154.48 0.05 3 0 "[ . 1 . 2]"
158 . 1 197 TRP C 1 198 VAL N 1 198 VAL CA 1 198 VAL C -165.75 -82.21 -121.13 -114.99 -124.94 . . 0 "[ . 1 . 2]"
159 . 1 198 VAL N 1 198 VAL CA 1 198 VAL C 1 199 TYR N 111.54 170.56 137.16 113.65 160.14 . . 0 "[ . 1 . 2]"
160 . 1 198 VAL C 1 199 TYR N 1 199 TYR CA 1 199 TYR C -146.50 -106.50 -131.58 -129.70 -135.04 0.05 14 0 "[ . 1 . 2]"
161 . 1 199 TYR N 1 199 TYR CA 1 199 TYR C 1 200 MET N 113.61 172.29 147.08 134.93 130.23 0.07 6 0 "[ . 1 . 2]"
162 . 1 199 TYR C 1 200 MET N 1 200 MET CA 1 200 MET C -164.59 -100.97 -117.00 -148.84 -100.98 . . 0 "[ . 1 . 2]"
163 . 1 200 MET N 1 200 MET CA 1 200 MET C 1 201 ILE N 114.81 154.81 123.73 114.80 142.69 0.01 2 0 "[ . 1 . 2]"
164 . 1 200 MET C 1 201 ILE N 1 201 ILE CA 1 201 ILE C -166.87 -103.71 -137.66 -116.86 -126.79 . . 0 "[ . 1 . 2]"
165 . 1 201 ILE N 1 201 ILE CA 1 201 ILE C 1 202 GLY N 100.10 -174.06 137.93 133.42 127.47 . . 0 "[ . 1 . 2]"
166 . 1 201 ILE C 1 202 GLY N 1 202 GLY CA 1 202 GLY C -177.42 -125.98 -166.64 -154.67 -158.71 0.02 12 0 "[ . 1 . 2]"
167 . 1 202 GLY N 1 202 GLY CA 1 202 GLY C 1 203 PHE N 137.95 -162.79 -171.94 159.75 -162.64 0.15 4 0 "[ . 1 . 2]"
168 . 1 202 GLY C 1 203 PHE N 1 203 PHE CA 1 203 PHE C -161.81 -121.81 -132.33 -161.88 -121.62 0.19 4 0 "[ . 1 . 2]"
169 . 1 203 PHE N 1 203 PHE CA 1 203 PHE C 1 204 GLY N 130.94 -177.28 170.18 175.18 173.90 . . 0 "[ . 1 . 2]"
170 . 1 203 PHE C 1 204 GLY N 1 204 GLY CA 1 204 GLY C 175.93 -135.49 -157.19 -135.40 -143.38 0.09 2 0 "[ . 1 . 2]"
171 . 1 204 GLY N 1 204 GLY CA 1 204 GLY C 1 205 TYR N 100.28 -139.72 178.23 131.46 -154.40 . . 0 "[ . 1 . 2]"
172 . 1 204 GLY C 1 205 TYR N 1 205 TYR CA 1 205 TYR C -159.65 -114.85 -146.53 -159.70 -116.15 0.05 2 0 "[ . 1 . 2]"
173 . 1 205 TYR N 1 205 TYR CA 1 205 TYR C 1 206 LYS N 119.73 159.73 142.38 147.59 139.60 0.02 2 0 "[ . 1 . 2]"
174 . 1 205 TYR C 1 206 LYS N 1 206 LYS CA 1 206 LYS C -151.14 -86.76 -97.71 -121.06 -86.70 0.06 8 0 "[ . 1 . 2]"
175 . 1 206 LYS N 1 206 LYS CA 1 206 LYS C 1 207 PHE N 100.80 140.80 132.91 104.57 140.90 0.10 4 0 "[ . 1 . 2]"
176 . 1 206 LYS C 1 207 PHE N 1 207 PHE CA 1 207 PHE C -133.04 -50.64 -86.16 -105.34 -110.64 . . 0 "[ . 1 . 2]"
177 . 1 207 PHE N 1 207 PHE CA 1 207 PHE C 1 208 LEU N 118.20 158.20 135.24 152.25 144.24 . . 0 "[ . 1 . 2]"
178 . 1 207 PHE C 1 208 LEU N 1 208 LEU CA 1 208 LEU C -156.49 -41.53 -112.84 -79.55 -93.08 . . 0 "[ . 1 . 2]"
179 . 1 208 LEU N 1 208 LEU CA 1 208 LEU C 1 209 GLU N 101.02 168.06 142.65 119.31 164.87 . . 0 "[ . 1 . 2]"
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