NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383916 |
1k45   |
5181 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1k45
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 93
_TA_constraint_stats_list.Viol_count 6
_TA_constraint_stats_list.Viol_total 1.62
_TA_constraint_stats_list.Viol_max 0.58
_TA_constraint_stats_list.Viol_rms 0.08
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 0.27
_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 3 VAL C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -90.00 -20.00 -71.18 -71.18 -71.18 . . 0 "[ ]"
2 . 1 4 ALA C 1 5 ASN N 1 5 ASN CA 1 5 ASN C -170.00 -70.00 -75.78 -75.78 -75.78 . . 0 "[ ]"
3 . 1 5 ASN C 1 6 ILE N 1 6 ILE CA 1 6 ILE C -160.00 -80.00 -110.09 -110.09 -110.09 . . 0 "[ ]"
4 . 1 10 PHE C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -90.00 -20.00 -60.61 -60.61 -60.61 . . 0 "[ ]"
5 . 1 11 GLU C 1 12 SER N 1 12 SER CA 1 12 SER C -170.00 -70.00 -85.15 -85.15 -85.15 . . 0 "[ ]"
6 . 1 12 SER C 1 13 THR N 1 13 THR CA 1 13 THR C -180.00 -60.00 -107.34 -107.34 -107.34 . . 0 "[ ]"
7 . 1 14 PRO C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -90.00 -20.00 -43.45 -43.45 -43.45 . . 0 "[ ]"
8 . 1 16 GLY C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -90.00 -20.00 -56.75 -56.75 -56.75 . . 0 "[ ]"
9 . 1 17 VAL C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -90.00 -20.00 -84.84 -84.84 -84.84 . . 0 "[ ]"
10 . 1 18 VAL C 1 19 THR N 1 19 THR CA 1 19 THR C -160.00 -80.00 -110.24 -110.24 -110.24 . . 0 "[ ]"
11 . 1 19 THR C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -170.00 -70.00 -141.86 -141.86 -141.86 . . 0 "[ ]"
12 . 1 20 ASP C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -90.00 -20.00 -50.17 -50.17 -50.17 . . 0 "[ ]"
13 . 1 21 LEU C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -180.00 -60.00 -64.30 -64.30 -64.30 . . 0 "[ ]"
14 . 1 22 ALA C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -170.00 -70.00 -118.74 -118.74 -118.74 . . 0 "[ ]"
15 . 1 24 GLY C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -160.00 -80.00 -95.34 -95.34 -95.34 . . 0 "[ ]"
16 . 1 27 GLY C 1 28 TRP N 1 28 TRP CA 1 28 TRP C -170.00 -70.00 -139.02 -139.02 -139.02 . . 0 "[ ]"
17 . 1 28 TRP C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -170.00 -70.00 -118.86 -118.86 -118.86 . . 0 "[ ]"
18 . 1 30 LEU C 1 31 ASN N 1 31 ASN CA 1 31 ASN C -160.00 -80.00 -154.33 -154.33 -154.33 . . 0 "[ ]"
19 . 1 31 ASN C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -160.00 -80.00 -108.82 -108.82 -108.82 . . 0 "[ ]"
20 . 1 36 VAL C 1 37 THR N 1 37 THR CA 1 37 THR C -180.00 -60.00 -74.73 -74.73 -74.73 . . 0 "[ ]"
21 . 1 37 THR C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -160.00 -80.00 -111.31 -111.31 -111.31 . . 0 "[ ]"
22 . 1 40 PRO C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -160.00 -80.00 -109.57 -109.57 -109.57 . . 0 "[ ]"
23 . 1 41 VAL C 1 42 PHE N 1 42 PHE CA 1 42 PHE C -170.00 -70.00 -110.96 -110.96 -110.96 . . 0 "[ ]"
24 . 1 42 PHE C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -180.00 -60.00 -151.52 -151.52 -151.52 . . 0 "[ ]"
25 . 1 43 GLU C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -160.00 -80.00 -90.95 -90.95 -90.95 . . 0 "[ ]"
26 . 1 44 VAL C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -170.00 -70.00 -137.12 -137.12 -137.12 . . 0 "[ ]"
27 . 1 46 GLU C 1 47 THR N 1 47 THR CA 1 47 THR C -170.00 -70.00 -135.16 -135.16 -135.16 . . 0 "[ ]"
28 . 1 46 GLU C 1 47 THR N 1 47 THR CA 1 47 THR C -144.00 -68.00 -135.16 -135.16 -135.16 . . 0 "[ ]"
29 . 1 49 ASP C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -90.00 -20.00 -44.04 -44.04 -44.04 . . 0 "[ ]"
30 . 1 51 PRO C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -160.00 -80.00 -126.31 -126.31 -126.31 . . 0 "[ ]"
31 . 1 53 GLY C 1 54 ASN N 1 54 ASN CA 1 54 ASN C -160.00 -80.00 -159.12 -159.12 -159.12 . . 0 "[ ]"
32 . 1 54 ASN C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -160.00 -80.00 -134.15 -134.15 -134.15 . . 0 "[ ]"
33 . 1 55 LYS C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -170.00 -70.00 -148.18 -148.18 -148.18 . . 0 "[ ]"
34 . 1 56 VAL C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -160.00 -80.00 -104.80 -104.80 -104.80 . . 0 "[ ]"
35 . 1 57 LEU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -170.00 -70.00 -81.71 -81.71 -81.71 . . 0 "[ ]"
36 . 1 58 ALA C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -170.00 -70.00 -110.58 -110.58 -110.58 . . 0 "[ ]"
37 . 1 59 VAL C 1 60 THR N 1 60 THR CA 1 60 THR C -160.00 -80.00 -108.04 -108.04 -108.04 . . 0 "[ ]"
38 . 1 61 VAL C 1 62 ASN N 1 62 ASN CA 1 62 ASN C -160.00 -80.00 -160.08 -160.08 -160.08 0.08 1 0 "[ ]"
39 . 1 63 GLY C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -160.00 -80.00 -79.95 -79.95 -79.95 0.05 1 0 "[ ]"
40 . 1 70 ASP C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -180.00 -60.00 -98.52 -98.52 -98.52 . . 0 "[ ]"
41 . 1 71 ILE C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -170.00 -70.00 -134.46 -134.46 -134.46 . . 0 "[ ]"
42 . 1 73 ALA C 1 74 THR N 1 74 THR CA 1 74 THR C -160.00 -80.00 -97.94 -97.94 -97.94 . . 0 "[ ]"
43 . 1 77 PRO C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -160.00 -80.00 -124.61 -124.61 -124.61 . . 0 "[ ]"
44 . 1 78 VAL C 1 79 ASN N 1 79 ASN CA 1 79 ASN C -170.00 -70.00 -123.35 -123.35 -123.35 . . 0 "[ ]"
45 . 1 80 VAL C 1 81 ARG N 1 81 ARG CA 1 81 ARG C -180.00 -60.00 -136.09 -136.09 -136.09 . . 0 "[ ]"
46 . 1 83 GLY C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -180.00 -60.00 -82.30 -82.30 -82.30 . . 0 "[ ]"
47 . 1 85 THR C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -160.00 -80.00 -108.84 -108.84 -108.84 . . 0 "[ ]"
48 . 1 86 TYR C 1 87 THR N 1 87 THR CA 1 87 THR C -160.00 -80.00 -118.18 -118.18 -118.18 . . 0 "[ ]"
49 . 1 89 THR C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -170.00 -70.00 -150.17 -150.17 -150.17 . . 0 "[ ]"
50 . 1 90 ILE C 1 91 TRP N 1 91 TRP CA 1 91 TRP C -160.00 -80.00 -131.68 -131.68 -131.68 . . 0 "[ ]"
51 . 1 91 TRP C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -170.00 -70.00 -114.79 -114.79 -114.79 . . 0 "[ ]"
52 . 1 93 ARG C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -160.00 -80.00 -109.13 -109.13 -109.13 . . 0 "[ ]"
53 . 1 94 ALA C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -90.00 -20.00 -52.09 -52.09 -52.09 . . 0 "[ ]"
54 . 1 95 GLU C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -160.00 -80.00 -121.05 -121.05 -121.05 . . 0 "[ ]"
55 . 1 96 GLN C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -90.00 -20.00 -68.89 -68.89 -68.89 . . 0 "[ ]"
56 . 1 101 VAL C 1 102 SER N 1 102 SER CA 1 102 SER C -160.00 -80.00 -127.29 -127.29 -127.29 . . 0 "[ ]"
57 . 1 103 PHE C 1 104 THR N 1 104 THR CA 1 104 THR C -160.00 -80.00 -122.72 -122.72 -122.72 . . 0 "[ ]"
58 . 1 106 GLY C 1 107 ASN N 1 107 ASN CA 1 107 ASN C -170.00 -70.00 -92.21 -92.21 -92.21 . . 0 "[ ]"
59 . 1 108 GLN C 1 109 SER N 1 109 SER CA 1 109 SER C -160.00 -80.00 -79.42 -79.42 -79.42 0.58 1 0 "[ ]"
60 . 1 110 PHE C 1 111 GLN N 1 111 GLN CA 1 111 GLN C -170.00 -70.00 -69.89 -69.89 -69.89 0.11 1 0 "[ ]"
61 . 1 112 GLU C 1 113 TYR N 1 113 TYR CA 1 113 TYR C -170.00 -70.00 -107.97 -107.97 -107.97 . . 0 "[ ]"
62 . 1 120 GLN C 1 121 ILE N 1 121 ILE CA 1 121 ILE C -160.00 -80.00 -132.91 -132.91 -132.91 . . 0 "[ ]"
63 . 1 121 ILE C 1 122 THR N 1 122 THR CA 1 122 THR C -170.00 -70.00 -81.21 -81.21 -81.21 . . 0 "[ ]"
64 . 1 127 PRO C 1 128 PHE N 1 128 PHE CA 1 128 PHE C -170.00 -70.00 -114.45 -114.45 -114.45 . . 0 "[ ]"
65 . 1 128 PHE C 1 129 THR N 1 129 THR CA 1 129 THR C -160.00 -80.00 -151.65 -151.65 -151.65 . . 0 "[ ]"
66 . 1 130 PHE C 1 131 GLU N 1 131 GLU CA 1 131 GLU C -160.00 -80.00 -129.81 -129.81 -129.81 . . 0 "[ ]"
67 . 1 132 PHE C 1 133 THR N 1 133 THR CA 1 133 THR C -160.00 -80.00 -139.41 -139.41 -139.41 . . 0 "[ ]"
68 . 1 135 SER C 1 136 ASP N 1 136 ASP CA 1 136 ASP C -170.00 -70.00 -103.12 -103.12 -103.12 . . 0 "[ ]"
69 . 1 137 GLN C 1 138 GLU N 1 138 GLU CA 1 138 GLU C -180.00 -60.00 -93.71 -93.71 -93.71 . . 0 "[ ]"
70 . 1 138 GLU C 1 139 THR N 1 139 THR CA 1 139 THR C -160.00 -80.00 -79.67 -79.67 -79.67 0.33 1 0 "[ ]"
71 . 1 139 THR C 1 140 VAL N 1 140 VAL CA 1 140 VAL C -180.00 -60.00 -138.35 -138.35 -138.35 . . 0 "[ ]"
72 . 1 140 VAL C 1 141 ILE N 1 141 ILE CA 1 141 ILE C -160.00 -80.00 -141.26 -141.26 -141.26 . . 0 "[ ]"
73 . 1 142 ARG C 1 143 ALA N 1 143 ALA CA 1 143 ALA C -160.00 -80.00 -94.44 -94.44 -94.44 . . 0 "[ ]"
74 . 1 145 ILE C 1 146 HIS N 1 146 HIS CA 1 146 HIS C -160.00 -80.00 -89.44 -89.44 -89.44 . . 0 "[ ]"
75 . 1 146 HIS C 1 147 PHE N 1 147 PHE CA 1 147 PHE C -170.00 -70.00 -161.12 -161.12 -161.12 . . 0 "[ ]"
76 . 1 148 GLY C 1 149 TYR N 1 149 TYR CA 1 149 TYR C -180.00 -60.00 -127.60 -127.60 -127.60 . . 0 "[ ]"
77 . 1 152 ASN C 1 153 VAL N 1 153 VAL CA 1 153 VAL C -90.00 -20.00 -81.79 -81.79 -81.79 . . 0 "[ ]"
78 . 1 154 GLY C 1 155 ASN N 1 155 ASN CA 1 155 ASN C -160.00 -80.00 -160.46 -160.46 -160.46 0.46 1 0 "[ ]"
79 . 1 156 THR C 1 157 ILE N 1 157 ILE CA 1 157 ILE C -160.00 -80.00 -103.60 -103.60 -103.60 . . 0 "[ ]"
80 . 1 157 ILE C 1 158 TYR N 1 158 TYR CA 1 158 TYR C -170.00 -70.00 -100.59 -100.59 -100.59 . . 0 "[ ]"
81 . 1 158 TYR C 1 159 ILE N 1 159 ILE CA 1 159 ILE C -170.00 -70.00 -120.39 -120.39 -120.39 . . 0 "[ ]"
82 . 1 161 GLY C 1 162 LEU N 1 162 LEU CA 1 162 LEU C -90.00 -20.00 -60.40 -60.40 -60.40 . . 0 "[ ]"
83 . 1 162 LEU C 1 163 ALA N 1 163 ALA CA 1 163 ALA C -170.00 -70.00 -133.60 -133.60 -133.60 . . 0 "[ ]"
84 . 1 163 ALA C 1 164 ILE N 1 164 ILE CA 1 164 ILE C -180.00 -60.00 -125.30 -125.30 -125.30 . . 0 "[ ]"
85 . 1 1 MET C 1 2 LEU N 1 2 LEU CA 1 2 LEU C -180.00 0.00 -66.79 -66.79 -66.79 . . 0 "[ ]"
86 . 1 33 GLY C 1 34 SER N 1 34 SER CA 1 34 SER C -180.00 0.00 -58.84 -58.84 -58.84 . . 0 "[ ]"
87 . 1 47 THR C 1 48 SER N 1 48 SER CA 1 48 SER C -180.00 0.00 -68.44 -68.44 -68.44 . . 0 "[ ]"
88 . 1 47 THR C 1 48 SER N 1 48 SER CA 1 48 SER C -123.00 -47.00 -68.44 -68.44 -68.44 . . 0 "[ ]"
89 . 1 48 SER C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -180.00 0.00 -76.56 -76.56 -76.56 . . 0 "[ ]"
90 . 1 68 PRO C 1 69 TRP N 1 69 TRP CA 1 69 TRP C 140.00 -40.00 -135.34 -135.34 -135.34 . . 0 "[ ]"
91 . 1 107 ASN C 1 108 GLN N 1 108 GLN CA 1 108 GLN C -81.00 -49.00 -61.43 -61.43 -61.43 . . 0 "[ ]"
92 . 1 66 ASN C 1 67 ASN N 1 67 ASN CA 1 67 ASN C -180.00 0.00 -127.94 -127.94 -127.94 . . 0 "[ ]"
93 . 1 65 GLY C 1 66 ASN N 1 66 ASN CA 1 66 ASN C -96.00 -48.00 -85.14 -85.14 -85.14 . . 0 "[ ]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 177
_TA_constraint_stats_list.Viol_count 37
_TA_constraint_stats_list.Viol_total 25.62
_TA_constraint_stats_list.Viol_max 3.49
_TA_constraint_stats_list.Viol_rms 0.45
_TA_constraint_stats_list.Viol_average_all_restraints 0.14
_TA_constraint_stats_list.Viol_average_violations_only 0.69
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 5 ASN C 1 6 ILE N 1 6 ILE CA 1 6 ILE C -128.00 -64.00 -110.09 -110.09 -110.09 . . 0 "[ ]"
2 . 1 6 ILE N 1 6 ILE CA 1 6 ILE C 1 7 ASN N 99.00 155.00 125.93 125.93 125.93 . . 0 "[ ]"
3 . 1 10 PHE C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -84.00 -44.00 -60.61 -60.61 -60.61 . . 0 "[ ]"
4 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 SER N -60.00 -28.00 -49.83 -49.83 -49.83 . . 0 "[ ]"
5 . 1 16 GLY C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -122.00 -58.00 -56.75 -56.75 -56.75 1.25 1 0 "[ ]"
6 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 VAL N 98.00 146.00 142.44 142.44 142.44 . . 0 "[ ]"
7 . 1 21 LEU C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -113.00 -45.00 -64.30 -64.30 -64.30 . . 0 "[ ]"
8 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 GLU N -57.00 7.00 -39.72 -39.72 -39.72 . . 0 "[ ]"
9 . 1 27 GLY C 1 28 TRP N 1 28 TRP CA 1 28 TRP C -155.00 -115.00 -139.02 -139.02 -139.02 . . 0 "[ ]"
10 . 1 28 TRP N 1 28 TRP CA 1 28 TRP C 1 29 ASP N 120.00 172.00 126.37 126.37 126.37 . . 0 "[ ]"
11 . 1 28 TRP C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -136.00 -56.00 -118.86 -118.86 -118.86 . . 0 "[ ]"
12 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 LEU N 108.00 144.00 144.09 144.09 144.09 0.09 1 0 "[ ]"
13 . 1 29 ASP C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -129.00 -73.00 -118.31 -118.31 -118.31 . . 0 "[ ]"
14 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ASN N 105.00 177.00 161.76 161.76 161.76 . . 0 "[ ]"
15 . 1 31 ASN C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -156.00 -96.00 -108.82 -108.82 -108.82 . . 0 "[ ]"
16 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 GLY N 105.00 157.00 137.68 137.68 137.68 . . 0 "[ ]"
17 . 1 34 SER C 1 35 SER N 1 35 SER CA 1 35 SER C -98.00 -46.00 -63.69 -63.69 -63.69 . . 0 "[ ]"
18 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 VAL N -56.00 4.00 -36.57 -36.57 -36.57 . . 0 "[ ]"
19 . 1 37 THR C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -170.00 -66.00 -111.31 -111.31 -111.31 . . 0 "[ ]"
20 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 PRO N 85.00 -155.00 141.40 141.40 141.40 . . 0 "[ ]"
21 . 1 40 PRO C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -172.00 -44.00 -109.57 -109.57 -109.57 . . 0 "[ ]"
22 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 PHE N 111.00 159.00 122.64 122.64 122.64 . . 0 "[ ]"
23 . 1 41 VAL C 1 42 PHE N 1 42 PHE CA 1 42 PHE C -145.00 -69.00 -110.96 -110.96 -110.96 . . 0 "[ ]"
24 . 1 42 PHE N 1 42 PHE CA 1 42 PHE C 1 43 GLU N 114.00 142.00 112.81 112.81 112.81 1.19 1 0 "[ ]"
25 . 1 42 PHE C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -159.00 -75.00 -151.52 -151.52 -151.52 . . 0 "[ ]"
26 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 VAL N 100.00 168.00 145.77 145.77 145.77 . . 0 "[ ]"
27 . 1 43 GLU C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -128.00 -68.00 -90.95 -90.95 -90.95 . . 0 "[ ]"
28 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 LEU N 104.00 148.00 148.57 148.57 148.57 0.57 1 0 "[ ]"
29 . 1 44 VAL C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -150.00 -78.00 -137.12 -137.12 -137.12 . . 0 "[ ]"
30 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 GLU N 114.00 162.00 147.70 147.70 147.70 . . 0 "[ ]"
31 . 1 45 LEU C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -133.00 -69.00 -112.00 -112.00 -112.00 . . 0 "[ ]"
32 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 THR N 111.00 131.00 111.98 111.98 111.98 . . 0 "[ ]"
33 . 1 54 ASN C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -164.00 -100.00 -134.15 -134.15 -134.15 . . 0 "[ ]"
34 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 VAL N 119.00 -177.00 139.55 139.55 139.55 . . 0 "[ ]"
35 . 1 55 LYS C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -150.00 -98.00 -148.18 -148.18 -148.18 . . 0 "[ ]"
36 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 LEU N 126.00 174.00 174.50 174.50 174.50 0.50 1 0 "[ ]"
37 . 1 56 VAL C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -134.00 -66.00 -104.80 -104.80 -104.80 . . 0 "[ ]"
38 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 ALA N 96.00 160.00 99.23 99.23 99.23 . . 0 "[ ]"
39 . 1 57 LEU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -150.00 -82.00 -81.71 -81.71 -81.71 0.29 1 0 "[ ]"
40 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 VAL N 114.00 154.00 114.09 114.09 114.09 . . 0 "[ ]"
41 . 1 58 ALA C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -137.00 -89.00 -110.58 -110.58 -110.58 . . 0 "[ ]"
42 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 THR N 103.00 143.00 144.97 144.97 144.97 1.97 1 0 "[ ]"
43 . 1 59 VAL C 1 60 THR N 1 60 THR CA 1 60 THR C -150.00 -74.00 -108.04 -108.04 -108.04 . . 0 "[ ]"
44 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 VAL N 84.00 156.00 89.13 89.13 89.13 . . 0 "[ ]"
45 . 1 60 THR C 1 61 VAL N 1 61 VAL CA 1 61 VAL C -133.00 -25.00 -83.43 -83.43 -83.43 . . 0 "[ ]"
46 . 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 ASN N 111.00 151.00 129.39 129.39 129.39 . . 0 "[ ]"
47 . 1 71 ILE C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -166.00 -94.00 -134.46 -134.46 -134.46 . . 0 "[ ]"
48 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 ALA N 111.00 167.00 122.05 122.05 122.05 . . 0 "[ ]"
49 . 1 72 GLU C 1 73 ALA N 1 73 ALA CA 1 73 ALA C -162.00 -114.00 -114.69 -114.69 -114.69 . . 0 "[ ]"
50 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 THR N 109.00 157.00 108.31 108.31 108.31 0.69 1 0 "[ ]"
51 . 1 74 THR C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -140.00 -48.00 -118.32 -118.32 -118.32 . . 0 "[ ]"
52 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 PHE N 100.00 156.00 139.67 139.67 139.67 . . 0 "[ ]"
53 . 1 77 PRO C 1 78 VAL N 1 78 VAL CA 1 78 VAL C -132.00 -48.00 -124.61 -124.61 -124.61 . . 0 "[ ]"
54 . 1 78 VAL N 1 78 VAL CA 1 78 VAL C 1 79 ASN N 96.00 156.00 156.18 156.18 156.18 0.18 1 0 "[ ]"
55 . 1 79 ASN C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -153.00 -109.00 -126.89 -126.89 -126.89 . . 0 "[ ]"
56 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 ARG N 134.00 -174.00 -173.96 -173.96 -173.96 0.04 1 0 "[ ]"
57 . 1 80 VAL C 1 81 ARG N 1 81 ARG CA 1 81 ARG C 179.00 -61.00 -136.09 -136.09 -136.09 . . 0 "[ ]"
58 . 1 81 ARG N 1 81 ARG CA 1 81 ARG C 1 82 PRO N 105.00 -179.00 146.61 146.61 146.61 . . 0 "[ ]"
59 . 1 83 GLY C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -117.00 -69.00 -82.30 -82.30 -82.30 . . 0 "[ ]"
60 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 THR N 106.00 146.00 149.49 149.49 149.49 3.49 1 0 "[ ]"
61 . 1 85 THR C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -153.00 -81.00 -108.84 -108.84 -108.84 . . 0 "[ ]"
62 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 THR N 120.00 172.00 171.58 171.58 171.58 . . 0 "[ ]"
63 . 1 86 TYR C 1 87 THR N 1 87 THR CA 1 87 THR C -118.00 -70.00 -118.18 -118.18 -118.18 0.18 1 0 "[ ]"
64 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 TYR N 94.00 154.00 154.22 154.22 154.22 0.22 1 0 "[ ]"
65 . 1 87 THR C 1 88 TYR N 1 88 TYR CA 1 88 TYR C -134.00 -78.00 -130.97 -130.97 -130.97 . . 0 "[ ]"
66 . 1 88 TYR N 1 88 TYR CA 1 88 TYR C 1 89 THR N 105.00 145.00 117.39 117.39 117.39 . . 0 "[ ]"
67 . 1 88 TYR C 1 89 THR N 1 89 THR CA 1 89 THR C -135.00 -83.00 -135.19 -135.19 -135.19 0.19 1 0 "[ ]"
68 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 ILE N 109.00 153.00 143.59 143.59 143.59 . . 0 "[ ]"
69 . 1 89 THR C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -149.00 -97.00 -150.17 -150.17 -150.17 1.17 1 0 "[ ]"
70 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 TRP N 115.00 163.00 163.07 163.07 163.07 0.07 1 0 "[ ]"
71 . 1 90 ILE C 1 91 TRP N 1 91 TRP CA 1 91 TRP C -154.00 -66.00 -131.68 -131.68 -131.68 . . 0 "[ ]"
72 . 1 91 TRP N 1 91 TRP CA 1 91 TRP C 1 92 ALA N 125.00 169.00 126.58 126.58 126.58 . . 0 "[ ]"
73 . 1 91 TRP C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -169.00 -93.00 -114.79 -114.79 -114.79 . . 0 "[ ]"
74 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 ARG N 130.00 178.00 148.26 148.26 148.26 . . 0 "[ ]"
75 . 1 92 ALA C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -164.00 -92.00 -162.64 -162.64 -162.64 . . 0 "[ ]"
76 . 1 93 ARG N 1 93 ARG CA 1 93 ARG C 1 94 ALA N 115.00 179.00 121.49 121.49 121.49 . . 0 "[ ]"
77 . 1 93 ARG C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -152.00 -92.00 -109.13 -109.13 -109.13 . . 0 "[ ]"
78 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 GLU N 130.00 170.00 152.44 152.44 152.44 . . 0 "[ ]"
79 . 1 99 ALA C 1 100 VAL N 1 100 VAL CA 1 100 VAL C -170.00 -78.00 -114.50 -114.50 -114.50 . . 0 "[ ]"
80 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C 1 101 VAL N 118.00 162.00 145.83 145.83 145.83 . . 0 "[ ]"
81 . 1 100 VAL C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -155.00 -107.00 -146.93 -146.93 -146.93 . . 0 "[ ]"
82 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 SER N 131.00 167.00 163.59 163.59 163.59 . . 0 "[ ]"
83 . 1 101 VAL C 1 102 SER N 1 102 SER CA 1 102 SER C -141.00 -57.00 -127.29 -127.29 -127.29 . . 0 "[ ]"
84 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 PHE N 100.00 156.00 132.45 132.45 132.45 . . 0 "[ ]"
85 . 1 102 SER C 1 103 PHE N 1 103 PHE CA 1 103 PHE C -160.00 -44.00 -128.28 -128.28 -128.28 . . 0 "[ ]"
86 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 THR N 105.00 153.00 104.27 104.27 104.27 0.73 1 0 "[ ]"
87 . 1 103 PHE C 1 104 THR N 1 104 THR CA 1 104 THR C -151.00 -83.00 -122.72 -122.72 -122.72 . . 0 "[ ]"
88 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 VAL N 133.00 -175.00 168.90 168.90 168.90 . . 0 "[ ]"
89 . 1 104 THR C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -147.00 -103.00 -125.58 -125.58 -125.58 . . 0 "[ ]"
90 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 GLY N 107.00 179.00 152.92 152.92 152.92 . . 0 "[ ]"
91 . 1 108 GLN C 1 109 SER N 1 109 SER CA 1 109 SER C -113.00 -33.00 -79.42 -79.42 -79.42 . . 0 "[ ]"
92 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 PHE N -64.00 20.00 9.31 9.31 9.31 . . 0 "[ ]"
93 . 1 111 GLN C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -138.00 -70.00 -89.28 -89.28 -89.28 . . 0 "[ ]"
94 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 TYR N 102.00 166.00 144.52 144.52 144.52 . . 0 "[ ]"
95 . 1 115 ARG C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -151.00 -55.00 -147.46 -147.46 -147.46 . . 0 "[ ]"
96 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 HIS N 70.00 162.00 81.39 81.39 81.39 . . 0 "[ ]"
97 . 1 119 GLN C 1 120 GLN N 1 120 GLN CA 1 120 GLN C -132.00 -60.00 -75.60 -75.60 -75.60 . . 0 "[ ]"
98 . 1 120 GLN N 1 120 GLN CA 1 120 GLN C 1 121 ILE N 100.00 156.00 156.77 156.77 156.77 0.77 1 0 "[ ]"
99 . 1 120 GLN C 1 121 ILE N 1 121 ILE CA 1 121 ILE C -146.00 -54.00 -132.91 -132.91 -132.91 . . 0 "[ ]"
100 . 1 121 ILE N 1 121 ILE CA 1 121 ILE C 1 122 THR N 100.00 156.00 138.44 138.44 138.44 . . 0 "[ ]"
101 . 1 121 ILE C 1 122 THR N 1 122 THR CA 1 122 THR C -158.00 -70.00 -81.21 -81.21 -81.21 . . 0 "[ ]"
102 . 1 122 THR N 1 122 THR CA 1 122 THR C 1 123 THR N 136.00 180.00 -179.34 -179.34 -179.34 0.66 1 0 "[ ]"
103 . 1 122 THR C 1 123 THR N 1 123 THR CA 1 123 THR C -172.00 -48.00 -78.64 -78.64 -78.64 . . 0 "[ ]"
104 . 1 123 THR C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -177.00 -77.00 -112.60 -112.60 -112.60 . . 0 "[ ]"
105 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 TRP N 127.00 -169.00 -169.06 -169.06 -169.06 . . 0 "[ ]"
106 . 1 125 TRP C 1 126 GLN N 1 126 GLN CA 1 126 GLN C -151.00 -107.00 -106.97 -106.97 -106.97 0.03 1 0 "[ ]"
107 . 1 126 GLN N 1 126 GLN CA 1 126 GLN C 1 127 PRO N 122.00 170.00 121.21 121.21 121.21 0.79 1 0 "[ ]"
108 . 1 126 GLN C 1 127 PRO N 1 127 PRO CA 1 127 PRO C -125.00 -33.00 -79.33 -79.33 -79.33 . . 0 "[ ]"
109 . 1 127 PRO N 1 127 PRO CA 1 127 PRO C 1 128 PHE N 80.00 -176.00 103.72 103.72 103.72 . . 0 "[ ]"
110 . 1 127 PRO C 1 128 PHE N 1 128 PHE CA 1 128 PHE C -169.00 -49.00 -114.45 -114.45 -114.45 . . 0 "[ ]"
111 . 1 128 PHE N 1 128 PHE CA 1 128 PHE C 1 129 THR N 115.00 167.00 134.68 134.68 134.68 . . 0 "[ ]"
112 . 1 128 PHE C 1 129 THR N 1 129 THR CA 1 129 THR C -151.00 -83.00 -151.65 -151.65 -151.65 0.65 1 0 "[ ]"
113 . 1 129 THR N 1 129 THR CA 1 129 THR C 1 130 PHE N 122.00 174.00 176.96 176.96 176.96 2.96 1 0 "[ ]"
114 . 1 130 PHE C 1 131 GLU N 1 131 GLU CA 1 131 GLU C -158.00 -102.00 -129.81 -129.81 -129.81 . . 0 "[ ]"
115 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C 1 132 PHE N 139.00 171.00 150.24 150.24 150.24 . . 0 "[ ]"
116 . 1 131 GLU C 1 132 PHE N 1 132 PHE CA 1 132 PHE C -165.00 -101.00 -164.91 -164.91 -164.91 . . 0 "[ ]"
117 . 1 132 PHE N 1 132 PHE CA 1 132 PHE C 1 133 THR N 112.00 168.00 168.14 168.14 168.14 0.14 1 0 "[ ]"
118 . 1 132 PHE C 1 133 THR N 1 133 THR CA 1 133 THR C -151.00 -83.00 -139.41 -139.41 -139.41 . . 0 "[ ]"
119 . 1 133 THR N 1 133 THR CA 1 133 THR C 1 134 VAL N 110.00 146.00 146.68 146.68 146.68 0.68 1 0 "[ ]"
120 . 1 133 THR C 1 134 VAL N 1 134 VAL CA 1 134 VAL C -120.00 -28.00 -38.63 -38.63 -38.63 . . 0 "[ ]"
121 . 1 134 VAL N 1 134 VAL CA 1 134 VAL C 1 135 SER N 111.00 151.00 110.39 110.39 110.39 0.61 1 0 "[ ]"
122 . 1 139 THR C 1 140 VAL N 1 140 VAL CA 1 140 VAL C -141.00 -81.00 -138.35 -138.35 -138.35 . . 0 "[ ]"
123 . 1 140 VAL N 1 140 VAL CA 1 140 VAL C 1 141 ILE N 93.00 165.00 134.88 134.88 134.88 . . 0 "[ ]"
124 . 1 140 VAL C 1 141 ILE N 1 141 ILE CA 1 141 ILE C -147.00 -87.00 -141.26 -141.26 -141.26 . . 0 "[ ]"
125 . 1 141 ILE N 1 141 ILE CA 1 141 ILE C 1 142 ARG N 115.00 171.00 172.01 172.01 172.01 1.01 1 0 "[ ]"
126 . 1 141 ILE C 1 142 ARG N 1 142 ARG CA 1 142 ARG C -168.00 -92.00 -148.86 -148.86 -148.86 . . 0 "[ ]"
127 . 1 142 ARG N 1 142 ARG CA 1 142 ARG C 1 143 ALA N 134.00 174.00 133.51 133.51 133.51 0.49 1 0 "[ ]"
128 . 1 142 ARG C 1 143 ALA N 1 143 ALA CA 1 143 ALA C -161.00 -93.00 -94.44 -94.44 -94.44 . . 0 "[ ]"
129 . 1 143 ALA N 1 143 ALA CA 1 143 ALA C 1 144 PRO N 108.00 176.00 107.95 107.95 107.95 0.05 1 0 "[ ]"
130 . 1 143 ALA C 1 144 PRO N 1 144 PRO CA 1 144 PRO C -118.00 -42.00 -75.84 -75.84 -75.84 . . 0 "[ ]"
131 . 1 144 PRO N 1 144 PRO CA 1 144 PRO C 1 145 ILE N 111.00 159.00 110.81 110.81 110.81 0.19 1 0 "[ ]"
132 . 1 144 PRO C 1 145 ILE N 1 145 ILE CA 1 145 ILE C -134.00 -78.00 -91.82 -91.82 -91.82 . . 0 "[ ]"
133 . 1 145 ILE N 1 145 ILE CA 1 145 ILE C 1 146 HIS N 109.00 145.00 129.74 129.74 129.74 . . 0 "[ ]"
134 . 1 145 ILE C 1 146 HIS N 1 146 HIS CA 1 146 HIS C -149.00 -85.00 -89.44 -89.44 -89.44 . . 0 "[ ]"
135 . 1 146 HIS N 1 146 HIS CA 1 146 HIS C 1 147 PHE N 112.00 -168.00 156.96 156.96 156.96 . . 0 "[ ]"
136 . 1 146 HIS C 1 147 PHE N 1 147 PHE CA 1 147 PHE C -162.00 -78.00 -161.12 -161.12 -161.12 . . 0 "[ ]"
137 . 1 147 PHE N 1 147 PHE CA 1 147 PHE C 1 148 GLY N 106.00 -170.00 156.63 156.63 156.63 . . 0 "[ ]"
138 . 1 149 TYR C 1 150 ALA N 1 150 ALA CA 1 150 ALA C -73.00 -45.00 -64.70 -64.70 -64.70 . . 0 "[ ]"
139 . 1 150 ALA N 1 150 ALA CA 1 150 ALA C 1 151 ALA N -60.00 -16.00 -29.61 -29.61 -29.61 . . 0 "[ ]"
140 . 1 150 ALA C 1 151 ALA N 1 151 ALA CA 1 151 ALA C -90.00 -46.00 -71.35 -71.35 -71.35 . . 0 "[ ]"
141 . 1 151 ALA N 1 151 ALA CA 1 151 ALA C 1 152 ASN N -58.00 -6.00 -11.79 -11.79 -11.79 . . 0 "[ ]"
142 . 1 155 ASN C 1 156 THR N 1 156 THR CA 1 156 THR C -147.00 -83.00 -89.64 -89.64 -89.64 . . 0 "[ ]"
143 . 1 156 THR N 1 156 THR CA 1 156 THR C 1 157 ILE N 104.00 160.00 125.50 125.50 125.50 . . 0 "[ ]"
144 . 1 156 THR C 1 157 ILE N 1 157 ILE CA 1 157 ILE C -140.00 -84.00 -103.60 -103.60 -103.60 . . 0 "[ ]"
145 . 1 157 ILE N 1 157 ILE CA 1 157 ILE C 1 158 TYR N 110.00 150.00 118.56 118.56 118.56 . . 0 "[ ]"
146 . 1 157 ILE C 1 158 TYR N 1 158 TYR CA 1 158 TYR C -156.00 -80.00 -100.59 -100.59 -100.59 . . 0 "[ ]"
147 . 1 158 TYR N 1 158 TYR CA 1 158 TYR C 1 159 ILE N 113.00 173.00 127.83 127.83 127.83 . . 0 "[ ]"
148 . 1 158 TYR C 1 159 ILE N 1 159 ILE CA 1 159 ILE C -159.00 -99.00 -120.39 -120.39 -120.39 . . 0 "[ ]"
149 . 1 159 ILE N 1 159 ILE CA 1 159 ILE C 1 160 ASP N 136.00 168.00 140.02 140.02 140.02 . . 0 "[ ]"
150 . 1 159 ILE C 1 160 ASP N 1 160 ASP CA 1 160 ASP C -173.00 -101.00 -173.71 -173.71 -173.71 0.71 1 0 "[ ]"
151 . 1 160 ASP N 1 160 ASP CA 1 160 ASP C 1 161 GLY N 137.00 177.00 136.64 136.64 136.64 0.36 1 0 "[ ]"
152 . 1 161 GLY C 1 162 LEU N 1 162 LEU CA 1 162 LEU C -106.00 -62.00 -60.40 -60.40 -60.40 1.60 1 0 "[ ]"
153 . 1 162 LEU N 1 162 LEU CA 1 162 LEU C 1 163 ALA N 79.00 171.00 100.13 100.13 100.13 . . 0 "[ ]"
154 . 1 162 LEU C 1 163 ALA N 1 163 ALA CA 1 163 ALA C -146.00 -74.00 -133.60 -133.60 -133.60 . . 0 "[ ]"
155 . 1 163 ALA N 1 163 ALA CA 1 163 ALA C 1 164 ILE N 109.00 145.00 145.61 145.61 145.61 0.61 1 0 "[ ]"
156 . 1 163 ALA C 1 164 ILE N 1 164 ILE CA 1 164 ILE C -134.00 -86.00 -125.30 -125.30 -125.30 . . 0 "[ ]"
157 . 1 164 ILE N 1 164 ILE CA 1 164 ILE C 1 165 ALA N 109.00 145.00 108.99 108.99 108.99 0.01 1 0 "[ ]"
158 . 1 164 ILE C 1 165 ALA N 1 165 ALA CA 1 165 ALA C -159.00 -83.00 -156.39 -156.39 -156.39 . . 0 "[ ]"
159 . 1 165 ALA N 1 165 ALA CA 1 165 ALA C 1 166 SER N 123.00 171.00 151.37 151.37 151.37 . . 0 "[ ]"
160 . 1 166 SER C 1 167 GLN N 1 167 GLN CA 1 167 GLN C -157.00 -49.00 -105.94 -105.94 -105.94 . . 0 "[ ]"
161 . 1 167 GLN N 1 167 GLN CA 1 167 GLN C 1 168 PRO N 90.00 178.00 161.09 161.09 161.09 . . 0 "[ ]"
162 . 1 98 GLY C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -180.00 -60.00 -122.96 -122.96 -122.96 . . 0 "[ ]"
163 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 VAL N 80.00 -160.00 142.54 142.54 142.54 . . 0 "[ ]"
164 . 1 6 ILE C 1 7 ASN N 1 7 ASN CA 1 7 ASN C 0.00 120.00 57.75 57.75 57.75 . . 0 "[ ]"
165 . 1 7 ASN N 1 7 ASN CA 1 7 ASN C 1 8 GLY N -20.00 100.00 30.10 30.10 30.10 . . 0 "[ ]"
166 . 1 9 GLY C 1 10 PHE N 1 10 PHE CA 1 10 PHE C 0.00 120.00 63.66 63.66 63.66 . . 0 "[ ]"
167 . 1 10 PHE N 1 10 PHE CA 1 10 PHE C 1 11 GLU N -20.00 100.00 17.29 17.29 17.29 . . 0 "[ ]"
168 . 1 117 HIS C 1 118 GLU N 1 118 GLU CA 1 118 GLU C 0.00 120.00 77.36 77.36 77.36 . . 0 "[ ]"
169 . 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 GLN N -20.00 100.00 57.12 57.12 57.12 . . 0 "[ ]"
170 . 1 106 GLY C 1 107 ASN N 1 107 ASN CA 1 107 ASN C 173.00 -47.00 -92.21 -92.21 -92.21 . . 0 "[ ]"
171 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C 1 108 GLN N 121.00 -171.00 -170.65 -170.65 -170.65 0.35 1 0 "[ ]"
172 . 1 109 SER C 1 110 PHE N 1 110 PHE CA 1 110 PHE C 36.00 84.00 71.75 71.75 71.75 . . 0 "[ ]"
173 . 1 110 PHE N 1 110 PHE CA 1 110 PHE C 1 111 GLN N 2.00 58.00 1.89 1.89 1.89 0.11 1 0 "[ ]"
174 . 1 110 PHE C 1 111 GLN N 1 111 GLN CA 1 111 GLN C -121.00 -41.00 -69.89 -69.89 -69.89 . . 0 "[ ]"
175 . 1 111 GLN N 1 111 GLN CA 1 111 GLN C 1 112 GLU N 75.00 -177.00 104.51 104.51 104.51 . . 0 "[ ]"
176 . 1 51 PRO C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -147.00 -39.00 -126.31 -126.31 -126.31 . . 0 "[ ]"
177 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 GLY N 69.00 157.00 108.19 108.19 108.19 . . 0 "[ ]"
stop_
save_
save_distance_constraint_statistics_3
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 73
_TA_constraint_stats_list.Viol_count 7
_TA_constraint_stats_list.Viol_total 6.32
_TA_constraint_stats_list.Viol_max 2.25
_TA_constraint_stats_list.Viol_rms 0.35
_TA_constraint_stats_list.Viol_average_all_restraints 0.09
_TA_constraint_stats_list.Viol_average_violations_only 0.90
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 6 ILE N 1 6 ILE CA 1 6 ILE CB 1 6 ILE CG1 -90.00 -30.00 -72.13 -72.13 -72.13 . . 0 "[ ]"
2 . 1 71 ILE N 1 71 ILE CA 1 71 ILE CB 1 71 ILE CG1 -90.00 -30.00 -71.27 -71.27 -71.27 . . 0 "[ ]"
3 . 1 121 ILE N 1 121 ILE CA 1 121 ILE CB 1 121 ILE CG1 -90.00 -30.00 -44.70 -44.70 -44.70 . . 0 "[ ]"
4 . 1 145 ILE N 1 145 ILE CA 1 145 ILE CB 1 145 ILE CG1 -90.00 -30.00 -34.07 -34.07 -34.07 . . 0 "[ ]"
5 . 1 157 ILE N 1 157 ILE CA 1 157 ILE CB 1 157 ILE CG1 -90.00 -30.00 -37.11 -37.11 -37.11 . . 0 "[ ]"
6 . 1 164 ILE N 1 164 ILE CA 1 164 ILE CB 1 164 ILE CG1 -90.00 -30.00 -74.25 -74.25 -74.25 . . 0 "[ ]"
7 . 1 18 VAL N 1 18 VAL CA 1 18 VAL CB 1 18 VAL CG1 150.00 -150.00 -175.42 -175.42 -175.42 . . 0 "[ ]"
8 . 1 25 VAL N 1 25 VAL CA 1 25 VAL CB 1 25 VAL CG1 150.00 -150.00 -179.22 -179.22 -179.22 . . 0 "[ ]"
9 . 1 36 VAL N 1 36 VAL CA 1 36 VAL CB 1 36 VAL CG1 150.00 -150.00 148.37 148.37 148.37 1.63 1 0 "[ ]"
10 . 1 41 VAL N 1 41 VAL CA 1 41 VAL CB 1 41 VAL CG1 150.00 -150.00 167.07 167.07 167.07 . . 0 "[ ]"
11 . 1 56 VAL N 1 56 VAL CA 1 56 VAL CB 1 56 VAL CG1 -90.00 -30.00 -47.53 -47.53 -47.53 . . 0 "[ ]"
12 . 1 59 VAL N 1 59 VAL CA 1 59 VAL CB 1 59 VAL CG1 150.00 -150.00 164.66 164.66 164.66 . . 0 "[ ]"
13 . 1 61 VAL N 1 61 VAL CA 1 61 VAL CB 1 61 VAL CG1 150.00 -150.00 166.10 166.10 166.10 . . 0 "[ ]"
14 . 1 78 VAL N 1 78 VAL CA 1 78 VAL CB 1 78 VAL CG1 150.00 -150.00 177.88 177.88 177.88 . . 0 "[ ]"
15 . 1 80 VAL N 1 80 VAL CA 1 80 VAL CB 1 80 VAL CG1 -90.00 -30.00 -79.25 -79.25 -79.25 . . 0 "[ ]"
16 . 1 84 VAL N 1 84 VAL CA 1 84 VAL CB 1 84 VAL CG1 150.00 -150.00 150.99 150.99 150.99 . . 0 "[ ]"
17 . 1 100 VAL N 1 100 VAL CA 1 100 VAL CB 1 100 VAL CG1 150.00 -150.00 168.01 168.01 168.01 . . 0 "[ ]"
18 . 1 101 VAL N 1 101 VAL CA 1 101 VAL CB 1 101 VAL CG1 150.00 -150.00 -178.83 -178.83 -178.83 . . 0 "[ ]"
19 . 1 140 VAL N 1 140 VAL CA 1 140 VAL CB 1 140 VAL CG1 150.00 -150.00 165.99 165.99 165.99 . . 0 "[ ]"
20 . 1 153 VAL N 1 153 VAL CA 1 153 VAL CB 1 153 VAL CG1 150.00 -150.00 149.26 149.26 149.26 0.74 1 0 "[ ]"
21 . 1 47 THR N 1 47 THR CA 1 47 THR CB 1 47 THR OG1 30.00 90.00 38.07 38.07 38.07 . . 0 "[ ]"
22 . 1 60 THR N 1 60 THR CA 1 60 THR CB 1 60 THR OG1 -90.00 -30.00 -40.42 -40.42 -40.42 . . 0 "[ ]"
23 . 1 74 THR N 1 74 THR CA 1 74 THR CB 1 74 THR OG1 -90.00 -30.00 -59.43 -59.43 -59.43 . . 0 "[ ]"
24 . 1 87 THR N 1 87 THR CA 1 87 THR CB 1 87 THR OG1 -90.00 -30.00 -42.13 -42.13 -42.13 . . 0 "[ ]"
25 . 1 89 THR N 1 89 THR CA 1 89 THR CB 1 89 THR OG1 -90.00 -30.00 -70.66 -70.66 -70.66 . . 0 "[ ]"
26 . 1 104 THR N 1 104 THR CA 1 104 THR CB 1 104 THR OG1 30.00 90.00 47.56 47.56 47.56 . . 0 "[ ]"
27 . 1 123 THR N 1 123 THR CA 1 123 THR CB 1 123 THR OG1 30.00 90.00 60.87 60.87 60.87 . . 0 "[ ]"
28 . 1 129 THR N 1 129 THR CA 1 129 THR CB 1 129 THR OG1 150.00 -150.00 -172.15 -172.15 -172.15 . . 0 "[ ]"
29 . 1 156 THR N 1 156 THR CA 1 156 THR CB 1 156 THR OG1 -90.00 -30.00 -60.24 -60.24 -60.24 . . 0 "[ ]"
30 . 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG -90.00 -30.00 -73.47 -73.47 -73.47 . . 0 "[ ]"
31 . 1 91 TRP N 1 91 TRP CA 1 91 TRP CB 1 91 TRP CG -90.00 -30.00 -60.91 -60.91 -60.91 . . 0 "[ ]"
32 . 1 103 PHE N 1 103 PHE CA 1 103 PHE CB 1 103 PHE CG -90.00 -30.00 -36.41 -36.41 -36.41 . . 0 "[ ]"
33 . 1 113 TYR N 1 113 TYR CA 1 113 TYR CB 1 113 TYR CG -90.00 -30.00 -39.13 -39.13 -39.13 . . 0 "[ ]"
34 . 1 158 TYR N 1 158 TYR CA 1 158 TYR CB 1 158 TYR CG -90.00 -30.00 -60.49 -60.49 -60.49 . . 0 "[ ]"
35 . 1 2 LEU N 1 2 LEU CA 1 2 LEU CB 1 2 LEU CG -90.00 -30.00 -64.52 -64.52 -64.52 . . 0 "[ ]"
36 . 1 3 VAL N 1 3 VAL CA 1 3 VAL CB 1 3 VAL CG1 30.00 90.00 80.41 80.41 80.41 . . 0 "[ ]"
37 . 1 13 THR N 1 13 THR CA 1 13 THR CB 1 13 THR OG1 -90.00 -30.00 -37.03 -37.03 -37.03 . . 0 "[ ]"
38 . 1 21 LEU N 1 21 LEU CA 1 21 LEU CB 1 21 LEU CG 30.00 90.00 30.66 30.66 30.66 . . 0 "[ ]"
39 . 1 23 GLU N 1 23 GLU CA 1 23 GLU CB 1 23 GLU CG 30.00 90.00 43.72 43.72 43.72 . . 0 "[ ]"
40 . 1 26 GLU N 1 26 GLU CA 1 26 GLU CB 1 26 GLU CG 150.00 -150.00 164.85 164.85 164.85 . . 0 "[ ]"
41 . 1 30 LEU N 1 30 LEU CA 1 30 LEU CB 1 30 LEU CG -90.00 -30.00 -29.24 -29.24 -29.24 0.76 1 0 "[ ]"
42 . 1 31 ASN N 1 31 ASN CA 1 31 ASN CB 1 31 ASN CG -90.00 -30.00 -69.93 -69.93 -69.93 . . 0 "[ ]"
43 . 1 32 VAL N 1 32 VAL CA 1 32 VAL CB 1 32 VAL CG1 -100.00 -20.00 -100.71 -100.71 -100.71 0.71 1 0 "[ ]"
44 . 1 43 GLU N 1 43 GLU CA 1 43 GLU CB 1 43 GLU CG 150.00 -150.00 172.46 172.46 172.46 . . 0 "[ ]"
45 . 1 44 VAL N 1 44 VAL CA 1 44 VAL CB 1 44 VAL CG1 150.00 -150.00 -175.16 -175.16 -175.16 . . 0 "[ ]"
46 . 1 57 LEU N 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG 150.00 -150.00 156.80 156.80 156.80 . . 0 "[ ]"
47 . 1 62 ASN N 1 62 ASN CA 1 62 ASN CB 1 62 ASN CG 30.00 90.00 42.49 42.49 42.49 . . 0 "[ ]"
48 . 1 64 VAL N 1 64 VAL CA 1 64 VAL CB 1 64 VAL CG1 -90.00 -30.00 -80.49 -80.49 -80.49 . . 0 "[ ]"
49 . 1 70 ASP N 1 70 ASP CA 1 70 ASP CB 1 70 ASP CG -90.00 -30.00 -29.94 -29.94 -29.94 0.06 1 0 "[ ]"
50 . 1 76 PHE N 1 76 PHE CA 1 76 PHE CB 1 76 PHE CG 30.00 90.00 90.16 90.16 90.16 0.16 1 0 "[ ]"
51 . 1 79 ASN N 1 79 ASN CA 1 79 ASN CB 1 79 ASN CG -90.00 -30.00 -71.86 -71.86 -71.86 . . 0 "[ ]"
52 . 1 86 TYR N 1 86 TYR CA 1 86 TYR CB 1 86 TYR CG -90.00 -30.00 -87.48 -87.48 -87.48 . . 0 "[ ]"
53 . 1 90 ILE N 1 90 ILE CA 1 90 ILE CB 1 90 ILE CG1 150.00 -150.00 -171.48 -171.48 -171.48 . . 0 "[ ]"
54 . 1 108 GLN N 1 108 GLN CA 1 108 GLN CB 1 108 GLN CG -90.00 -30.00 -50.34 -50.34 -50.34 . . 0 "[ ]"
55 . 1 112 GLU N 1 112 GLU CA 1 112 GLU CB 1 112 GLU CG 150.00 -150.00 157.48 157.48 157.48 . . 0 "[ ]"
56 . 1 120 GLN N 1 120 GLN CA 1 120 GLN CB 1 120 GLN CG -90.00 -30.00 -46.07 -46.07 -46.07 . . 0 "[ ]"
57 . 1 124 GLU N 1 124 GLU CA 1 124 GLU CB 1 124 GLU CG -90.00 -30.00 -50.40 -50.40 -50.40 . . 0 "[ ]"
58 . 1 125 TRP N 1 125 TRP CA 1 125 TRP CB 1 125 TRP CG -90.00 -30.00 -58.90 -58.90 -58.90 . . 0 "[ ]"
59 . 1 130 PHE N 1 130 PHE CA 1 130 PHE CB 1 130 PHE CG 30.00 90.00 67.08 67.08 67.08 . . 0 "[ ]"
60 . 1 131 GLU N 1 131 GLU CA 1 131 GLU CB 1 131 GLU CG -90.00 -30.00 -55.19 -55.19 -55.19 . . 0 "[ ]"
61 . 1 134 VAL N 1 134 VAL CA 1 134 VAL CB 1 134 VAL CG1 150.00 -150.00 -168.94 -168.94 -168.94 . . 0 "[ ]"
62 . 1 138 GLU N 1 138 GLU CA 1 138 GLU CB 1 138 GLU CG -90.00 -30.00 -42.23 -42.23 -42.23 . . 0 "[ ]"
63 . 1 139 THR N 1 139 THR CA 1 139 THR CB 1 139 THR OG1 30.00 90.00 39.11 39.11 39.11 . . 0 "[ ]"
64 . 1 142 ARG N 1 142 ARG CA 1 142 ARG CB 1 142 ARG CG 30.00 90.00 70.12 70.12 70.12 . . 0 "[ ]"
65 . 1 147 PHE N 1 147 PHE CA 1 147 PHE CB 1 147 PHE CG -90.00 -30.00 -75.87 -75.87 -75.87 . . 0 "[ ]"
66 . 1 149 TYR N 1 149 TYR CA 1 149 TYR CB 1 149 TYR CG -90.00 -30.00 -58.25 -58.25 -58.25 . . 0 "[ ]"
67 . 1 159 ILE N 1 159 ILE CA 1 159 ILE CB 1 159 ILE CG1 -90.00 -30.00 -27.75 -27.75 -27.75 2.25 1 0 "[ ]"
68 . 1 162 LEU N 1 162 LEU CA 1 162 LEU CB 1 162 LEU CG 150.00 -150.00 -175.30 -175.30 -175.30 . . 0 "[ ]"
69 . 1 110 PHE N 1 110 PHE CA 1 110 PHE CB 1 110 PHE CG -90.00 -30.00 -45.99 -45.99 -45.99 . . 0 "[ ]"
70 . 1 29 ASP N 1 29 ASP CA 1 29 ASP CB 1 29 ASP CG -100.00 -20.00 -85.83 -85.83 -85.83 . . 0 "[ ]"
71 . 1 69 TRP N 1 69 TRP CA 1 69 TRP CB 1 69 TRP CG 30.00 90.00 41.33 41.33 41.33 . . 0 "[ ]"
72 . 1 67 ASN N 1 67 ASN CA 1 67 ASN CB 1 67 ASN CG -90.00 -30.00 -67.00 -67.00 -67.00 . . 0 "[ ]"
73 . 1 69 TRP CA 1 69 TRP CB 1 69 TRP CG 1 69 TRP CD1 20.00 100.00 71.06 71.06 71.06 . . 0 "[ ]"
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