Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534742 | 2lpx RC | 18281 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lpx
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 209
_TA_constraint_stats_list.Viol_count 215
_TA_constraint_stats_list.Viol_total 1837.02
_TA_constraint_stats_list.Viol_max 3.57
_TA_constraint_stats_list.Viol_rms 0.16
_TA_constraint_stats_list.Viol_average_all_restraints 0.02
_TA_constraint_stats_list.Viol_average_violations_only 0.43
_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 GLY C 1 3 VAL N 1 3 VAL CA 1 3 VAL C -159.78 -75.22 -116.01 -118.32 -118.64 . . 0 "[ . 1 . 2]"
2 . 1 3 VAL C 1 4 TYR N 1 4 TYR CA 1 4 TYR C -159.00 -84.96 -110.39 -123.14 -87.43 . . 0 "[ . 1 . 2]"
3 . 1 4 TYR C 1 5 THR N 1 5 THR CA 1 5 THR C -143.93 -93.73 -95.12 -105.25 -93.42 0.31 16 0 "[ . 1 . 2]"
4 . 1 5 THR C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -142.34 -89.10 -119.96 -120.60 -122.21 . . 0 "[ . 1 . 2]"
5 . 1 6 TYR C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -153.74 -99.86 -111.80 -111.22 -112.49 . . 0 "[ . 1 . 2]"
6 . 1 7 GLU C 1 8 ASN N 1 8 ASN CA 1 8 ASN C -169.51 -106.07 -120.57 -132.72 -109.02 . . 0 "[ . 1 . 2]"
7 . 1 8 ASN C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -155.14 -86.70 -113.58 -108.52 -109.37 . . 0 "[ . 1 . 2]"
8 . 1 9 GLU C 1 10 PHE N 1 10 PHE CA 1 10 PHE C -164.21 -94.01 -142.03 -136.41 -141.78 . . 0 "[ . 1 . 2]"
9 . 1 10 PHE C 1 11 THR N 1 11 THR CA 1 11 THR C -150.68 -90.64 -101.26 -97.39 -97.73 0.22 16 0 "[ . 1 . 2]"
10 . 1 11 THR C 1 12 SER N 1 12 SER CA 1 12 SER C 178.38 -83.02 -145.67 -157.52 -130.55 . . 0 "[ . 1 . 2]"
11 . 1 12 SER C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -80.79 -54.19 -76.17 -76.18 -77.20 . . 0 "[ . 1 . 2]"
12 . 1 14 ILE C 1 15 PRO N 1 15 PRO CA 1 15 PRO C -70.94 -50.38 -69.93 -69.70 -70.01 0.18 3 0 "[ . 1 . 2]"
13 . 1 16 ALA C 1 17 PRO N 1 17 PRO CA 1 17 PRO C -70.19 -47.83 -64.22 -64.50 -64.72 . . 0 "[ . 1 . 2]"
14 . 1 17 PRO C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -71.37 -58.13 -61.52 -57.98 -58.60 0.17 2 0 "[ . 1 . 2]"
15 . 1 18 LYS C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -80.51 -51.67 -80.47 -80.57 -80.59 0.79 16 0 "[ . 1 . 2]"
16 . 1 19 LEU C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -73.10 -49.78 -64.39 -72.96 -55.45 . . 0 "[ . 1 . 2]"
17 . 1 24 VAL C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -122.00 -25.80 -64.02 -72.24 -72.87 . . 0 "[ . 1 . 2]"
18 . 1 26 ASP C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -69.60 -46.84 -69.40 -70.20 -64.40 0.60 20 0 "[ . 1 . 2]"
19 . 1 27 ALA C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -90.27 -49.79 -64.37 -77.36 -53.50 . . 0 "[ . 1 . 2]"
20 . 1 28 ASP C 1 29 ASN N 1 29 ASN CA 1 29 ASN C -121.07 -65.71 -100.22 -116.50 -91.06 . . 0 "[ . 1 . 2]"
21 . 1 31 ILE C 1 32 PRO N 1 32 PRO CA 1 32 PRO C -74.35 -45.11 -68.86 -69.07 -69.18 . . 0 "[ . 1 . 2]"
22 . 1 32 PRO C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -94.24 -47.96 -72.14 -83.43 -65.15 . . 0 "[ . 1 . 2]"
23 . 1 33 LYS C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -126.94 -50.38 -69.91 -79.44 -61.36 . . 0 "[ . 1 . 2]"
24 . 1 36 PRO C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -111.80 -46.08 -72.10 -76.11 -65.63 . . 0 "[ . 1 . 2]"
25 . 1 39 VAL C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -118.01 -71.97 -73.75 -72.40 -72.84 0.10 2 0 "[ . 1 . 2]"
26 . 1 40 LYS C 1 41 CYS N 1 41 CYS CA 1 41 CYS C 177.51 -134.37 178.55 177.42 -176.94 0.09 12 0 "[ . 1 . 2]"
27 . 1 41 CYS C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -175.00 -75.56 -89.94 -88.49 -89.37 . . 0 "[ . 1 . 2]"
28 . 1 42 ALA C 1 43 GLU N 1 43 GLU CA 1 43 GLU C 179.94 -87.98 -120.36 -127.63 -104.22 . . 0 "[ . 1 . 2]"
29 . 1 43 GLU C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -106.81 -65.29 -106.05 -106.25 -106.35 0.02 16 0 "[ . 1 . 2]"
30 . 1 52 GLY C 1 53 THR N 1 53 THR CA 1 53 THR C -115.68 -61.56 -81.56 -89.12 -73.38 . . 0 "[ . 1 . 2]"
31 . 1 53 THR C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -145.48 -88.52 -110.48 -115.47 -105.12 . . 0 "[ . 1 . 2]"
32 . 1 54 ILE C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -144.15 -105.95 -119.31 -114.15 -114.74 . . 0 "[ . 1 . 2]"
33 . 1 55 LYS C 1 56 LYS N 1 56 LYS CA 1 56 LYS C -161.75 -86.11 -130.64 -135.71 -122.83 . . 0 "[ . 1 . 2]"
34 . 1 56 LYS C 1 57 ILE N 1 57 ILE CA 1 57 ILE C 169.27 -79.61 -116.22 -125.59 -110.81 . . 0 "[ . 1 . 2]"
35 . 1 57 ILE C 1 58 THR N 1 58 THR CA 1 58 THR C -127.79 -80.31 -115.23 -123.96 -107.74 . . 0 "[ . 1 . 2]"
36 . 1 58 THR C 1 59 PHE N 1 59 PHE CA 1 59 PHE C -136.15 -91.15 -104.63 -99.77 -102.48 0.10 15 0 "[ . 1 . 2]"
37 . 1 66 GLY C 1 67 TYR N 1 67 TYR CA 1 67 TYR C -168.00 -68.16 -150.80 -160.31 -160.97 . . 0 "[ . 1 . 2]"
38 . 1 67 TYR C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -149.37 -112.77 -124.71 -134.47 -117.27 . . 0 "[ . 1 . 2]"
39 . 1 68 VAL C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -165.24 -88.52 -114.59 -124.27 -102.33 . . 0 "[ . 1 . 2]"
40 . 1 69 LYS C 1 70 HIS N 1 70 HIS CA 1 70 HIS C -146.89 -100.69 -119.90 -125.21 -112.12 . . 0 "[ . 1 . 2]"
41 . 1 70 HIS C 1 71 LYS N 1 71 LYS CA 1 71 LYS C 176.46 -46.66 -121.84 -118.12 -121.36 . . 0 "[ . 1 . 2]"
42 . 1 71 LYS C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -113.72 -48.12 -100.84 -104.95 -96.95 . . 0 "[ . 1 . 2]"
43 . 1 72 ILE C 1 73 HIS N 1 73 HIS CA 1 73 HIS C -121.66 -89.02 -90.15 -93.19 -88.80 0.22 7 0 "[ . 1 . 2]"
44 . 1 73 HIS C 1 74 SER N 1 74 SER CA 1 74 SER C 176.76 -108.16 -170.60 178.10 -163.34 . . 0 "[ . 1 . 2]"
45 . 1 74 SER C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -152.11 -84.07 -129.12 -136.00 -123.42 . . 0 "[ . 1 . 2]"
46 . 1 75 ILE C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -159.95 -63.07 -126.18 -126.57 -127.26 . . 0 "[ . 1 . 2]"
47 . 1 78 VAL C 1 79 ASN N 1 79 ASN CA 1 79 ASN C -116.28 -74.36 -87.60 -87.96 -88.37 . . 0 "[ . 1 . 2]"
48 . 1 80 HIS C 1 81 THR N 1 81 THR CA 1 81 THR C -151.75 -106.63 -125.03 -126.76 -128.80 . . 0 "[ . 1 . 2]"
49 . 1 81 THR C 1 82 TYR N 1 82 TYR CA 1 82 TYR C -141.81 -104.73 -127.82 -123.93 -124.63 . . 0 "[ . 1 . 2]"
50 . 1 82 TYR C 1 83 SER N 1 83 SER CA 1 83 SER C -140.93 -91.41 -120.11 -117.57 -118.16 . . 0 "[ . 1 . 2]"
51 . 1 83 SER C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -171.57 -100.05 -151.79 -153.59 -154.40 . . 0 "[ . 1 . 2]"
52 . 1 84 TYR C 1 85 SER N 1 85 SER CA 1 85 SER C -151.31 -107.47 -146.70 -146.83 -148.10 0.39 7 0 "[ . 1 . 2]"
53 . 1 85 SER C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -146.00 -87.56 -93.71 -93.27 -94.99 0.15 3 0 "[ . 1 . 2]"
54 . 1 87 ILE C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -176.92 -114.84 -129.26 -125.43 -126.46 . . 0 "[ . 1 . 2]"
55 . 1 89 GLY C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -92.46 -36.50 -56.66 -58.94 -60.12 . . 0 "[ . 1 . 2]"
56 . 1 90 ASP C 1 91 ALA N 1 91 ALA CA 1 91 ALA C -108.88 -45.00 -71.15 -85.48 -56.85 . . 0 "[ . 1 . 2]"
57 . 1 93 SER C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -111.30 -27.58 -79.75 -96.24 -64.96 . . 0 "[ . 1 . 2]"
58 . 1 94 GLU C 1 95 ASN N 1 95 ASN CA 1 95 ASN C -128.55 -72.03 -93.89 -125.64 -72.38 . . 0 "[ . 1 . 2]"
59 . 1 96 ILE C 1 97 GLU N 1 97 GLU CA 1 97 GLU C -150.35 -76.27 -94.84 -146.34 -75.84 0.43 3 0 "[ . 1 . 2]"
60 . 1 97 GLU C 1 98 LYS N 1 98 LYS CA 1 98 LYS C -176.48 -58.16 -66.45 -179.63 -56.12 3.15 13 0 "[ . 1 . 2]"
61 . 1 98 LYS C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -157.19 -99.03 -122.79 -121.79 -123.29 . . 0 "[ . 1 . 2]"
62 . 1 99 ILE C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -149.20 -82.04 -92.77 -104.48 -85.98 . . 0 "[ . 1 . 2]"
63 . 1 100 ASP C 1 101 TYR N 1 101 TYR CA 1 101 TYR C -146.57 -94.69 -114.99 -121.09 -103.47 . . 0 "[ . 1 . 2]"
64 . 1 101 TYR C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -159.25 -89.05 -131.41 -138.67 -123.71 . . 0 "[ . 1 . 2]"
65 . 1 102 GLU C 1 103 THR N 1 103 THR CA 1 103 THR C -135.98 -102.18 -128.03 -135.41 -120.80 . . 0 "[ . 1 . 2]"
66 . 1 103 THR C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -166.82 -79.46 -136.09 -131.61 -132.61 . . 0 "[ . 1 . 2]"
67 . 1 104 LYS C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -133.74 -88.62 -100.41 -107.72 -93.70 . . 0 "[ . 1 . 2]"
68 . 1 105 LEU C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -131.75 -101.67 -131.35 -132.05 -128.96 0.30 10 0 "[ . 1 . 2]"
69 . 1 106 VAL C 1 107 SER N 1 107 SER CA 1 107 SER C -114.20 -54.76 -111.92 -114.78 -106.81 0.58 19 0 "[ . 1 . 2]"
70 . 1 107 SER C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -112.03 -51.15 -109.03 -112.42 -96.32 0.39 4 0 "[ . 1 . 2]"
71 . 1 112 GLY C 1 113 THR N 1 113 THR CA 1 113 THR C -136.94 -115.66 -122.74 -119.96 -122.14 . . 0 "[ . 1 . 2]"
72 . 1 113 THR C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -159.59 -85.39 -96.33 -94.79 -95.73 . . 0 "[ . 1 . 2]"
73 . 1 114 ILE C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -137.07 -87.23 -121.84 -132.64 -109.28 . . 0 "[ . 1 . 2]"
74 . 1 115 ILE C 1 116 LYS N 1 116 LYS CA 1 116 LYS C -129.24 -73.44 -108.44 -118.80 -97.81 . . 0 "[ . 1 . 2]"
75 . 1 116 LYS C 1 117 THR N 1 117 THR CA 1 117 THR C -139.91 -93.15 -128.06 -127.21 -127.98 . . 0 "[ . 1 . 2]"
76 . 1 117 THR C 1 118 THR N 1 118 THR CA 1 118 THR C -138.56 -85.76 -116.97 -126.02 -106.60 . . 0 "[ . 1 . 2]"
77 . 1 118 THR C 1 119 SER N 1 119 SER CA 1 119 SER C -145.54 -98.10 -133.06 -145.21 -120.32 . . 0 "[ . 1 . 2]"
78 . 1 119 SER C 1 120 LYS N 1 120 LYS CA 1 120 LYS C -152.97 -93.13 -136.83 -139.38 -140.66 . . 0 "[ . 1 . 2]"
79 . 1 120 LYS C 1 121 TYR N 1 121 TYR CA 1 121 TYR C -144.25 -102.69 -119.00 -135.99 -105.49 . . 0 "[ . 1 . 2]"
80 . 1 122 HIS C 1 123 THR N 1 123 THR CA 1 123 THR C -152.15 -99.83 -121.47 -119.20 -122.89 . . 0 "[ . 1 . 2]"
81 . 1 129 ILE C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -143.00 -42.08 -99.66 -94.26 -97.01 . . 0 "[ . 1 . 2]"
82 . 1 130 LYS C 1 131 GLU N 1 131 GLU CA 1 131 GLU C -71.29 -47.09 -53.97 -58.56 -47.52 . . 0 "[ . 1 . 2]"
83 . 1 131 GLU C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -72.92 -52.56 -59.95 -62.80 -57.03 . . 0 "[ . 1 . 2]"
84 . 1 132 GLU C 1 133 HIS N 1 133 HIS CA 1 133 HIS C -76.03 -54.67 -68.02 -74.29 -65.13 . . 0 "[ . 1 . 2]"
85 . 1 133 HIS C 1 134 VAL N 1 134 VAL CA 1 134 VAL C -70.78 -58.82 -65.59 -69.39 -61.51 . . 0 "[ . 1 . 2]"
86 . 1 134 VAL C 1 135 LYS N 1 135 LYS CA 1 135 LYS C -70.52 -55.68 -58.18 -62.15 -55.53 0.15 18 0 "[ . 1 . 2]"
87 . 1 135 LYS C 1 136 ALA N 1 136 ALA CA 1 136 ALA C -73.77 -51.61 -59.23 -65.64 -54.68 . . 0 "[ . 1 . 2]"
88 . 1 136 ALA C 1 137 GLY N 1 137 GLY CA 1 137 GLY C -84.03 -51.39 -60.35 -64.24 -56.99 . . 0 "[ . 1 . 2]"
89 . 1 137 GLY C 1 138 LYS N 1 138 LYS CA 1 138 LYS C -82.18 -44.14 -60.92 -64.28 -56.31 . . 0 "[ . 1 . 2]"
90 . 1 138 LYS C 1 139 GLU N 1 139 GLU CA 1 139 GLU C -77.65 -51.81 -62.48 -66.39 -58.97 . . 0 "[ . 1 . 2]"
91 . 1 139 GLU C 1 140 LYS N 1 140 LYS CA 1 140 LYS C -76.25 -52.89 -57.34 -61.65 -52.93 . . 0 "[ . 1 . 2]"
92 . 1 140 LYS C 1 141 ALA N 1 141 ALA CA 1 141 ALA C -77.69 -54.25 -65.32 -72.20 -58.04 . . 0 "[ . 1 . 2]"
93 . 1 141 ALA C 1 142 ALA N 1 142 ALA CA 1 142 ALA C -72.29 -57.05 -61.96 -71.90 -56.95 0.10 1 0 "[ . 1 . 2]"
94 . 1 142 ALA C 1 143 HIS N 1 143 HIS CA 1 143 HIS C -76.72 -50.80 -62.56 -65.28 -69.50 . . 0 "[ . 1 . 2]"
95 . 1 143 HIS C 1 144 LEU N 1 144 LEU CA 1 144 LEU C -79.15 -53.47 -61.41 -64.07 -67.39 0.02 7 0 "[ . 1 . 2]"
96 . 1 144 LEU C 1 145 PHE N 1 145 PHE CA 1 145 PHE C -78.89 -53.41 -53.93 -55.69 -52.96 0.45 9 0 "[ . 1 . 2]"
97 . 1 146 LYS C 1 147 LEU N 1 147 LEU CA 1 147 LEU C -79.80 -52.88 -64.67 -71.82 -56.69 . . 0 "[ . 1 . 2]"
98 . 1 147 LEU C 1 148 ILE N 1 148 ILE CA 1 148 ILE C -78.55 -53.79 -56.07 -54.19 -54.87 0.11 10 0 "[ . 1 . 2]"
99 . 1 148 ILE C 1 149 GLU N 1 149 GLU CA 1 149 GLU C -69.56 -54.76 -60.66 -61.43 -64.52 0.49 14 0 "[ . 1 . 2]"
100 . 1 149 GLU C 1 150 GLY N 1 150 GLY CA 1 150 GLY C -89.80 -53.92 -67.71 -78.79 -53.93 . . 0 "[ . 1 . 2]"
101 . 1 150 GLY C 1 151 TYR N 1 151 TYR CA 1 151 TYR C -80.83 -45.35 -62.40 -59.14 -60.82 . . 0 "[ . 1 . 2]"
102 . 1 151 TYR C 1 152 LEU N 1 152 LEU CA 1 152 LEU C -75.35 -55.43 -68.15 -75.72 -56.31 0.37 18 0 "[ . 1 . 2]"
103 . 1 152 LEU C 1 153 LYS N 1 153 LYS CA 1 153 LYS C -72.38 -53.62 -58.21 -61.74 -62.96 0.31 10 0 "[ . 1 . 2]"
104 . 1 153 LYS C 1 154 ASP N 1 154 ASP CA 1 154 ASP C -101.43 -45.63 -74.23 -58.67 -59.02 0.04 9 0 "[ . 1 . 2]"
105 . 1 3 VAL N 1 3 VAL CA 1 3 VAL C 1 4 TYR N 118.74 170.54 138.87 136.06 134.53 . . 0 "[ . 1 . 2]"
106 . 1 4 TYR N 1 4 TYR CA 1 4 TYR C 1 5 THR N 111.01 162.37 145.97 144.68 142.03 . . 0 "[ . 1 . 2]"
107 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 TYR N 111.13 143.61 139.91 131.73 143.78 0.17 18 0 "[ . 1 . 2]"
108 . 1 6 TYR N 1 6 TYR CA 1 6 TYR C 1 7 GLU N 115.54 166.22 136.45 128.30 144.35 . . 0 "[ . 1 . 2]"
109 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 ASN N 114.84 177.76 136.64 138.42 137.29 . . 0 "[ . 1 . 2]"
110 . 1 8 ASN N 1 8 ASN CA 1 8 ASN C 1 9 GLU N 129.82 172.70 136.53 129.66 160.07 0.16 16 0 "[ . 1 . 2]"
111 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 PHE N 108.89 179.73 127.17 109.87 143.42 . . 0 "[ . 1 . 2]"
112 . 1 10 PHE N 1 10 PHE CA 1 10 PHE C 1 11 THR N 106.99 -172.17 137.85 127.03 149.48 . . 0 "[ . 1 . 2]"
113 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 SER N 115.48 170.84 146.56 140.25 131.74 . . 0 "[ . 1 . 2]"
114 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 ASP N 105.42 -174.82 168.56 171.62 171.10 . . 0 "[ . 1 . 2]"
115 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 ILE N 95.78 -175.86 -176.61 -175.65 -175.70 0.61 16 0 "[ . 1 . 2]"
116 . 1 15 PRO N 1 15 PRO CA 1 15 PRO C 1 16 ALA N 128.82 152.94 147.63 145.90 150.16 . . 0 "[ . 1 . 2]"
117 . 1 17 PRO N 1 17 PRO CA 1 17 PRO C 1 18 LYS N -50.18 -14.74 -48.26 -50.05 -50.27 0.48 11 0 "[ . 1 . 2]"
118 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 LEU N -55.34 -22.30 -35.48 -39.62 -30.35 . . 0 "[ . 1 . 2]"
119 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 PHE N -58.57 -22.65 -30.70 -34.39 -36.08 . . 0 "[ . 1 . 2]"
120 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 LYS N -54.75 -27.51 -37.44 -43.89 -47.14 . . 0 "[ . 1 . 2]"
121 . 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 ASP N -65.90 14.10 -42.89 -66.02 -33.93 0.12 18 0 "[ . 1 . 2]"
122 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ASP N -54.67 -8.87 -36.79 -32.88 -35.00 . . 0 "[ . 1 . 2]"
123 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 ASN N -58.52 2.68 -32.25 -29.19 -29.87 . . 0 "[ . 1 . 2]"
124 . 1 29 ASN N 1 29 ASN CA 1 29 ASN C 1 30 LEU N -73.55 42.73 -34.90 -43.63 -29.01 . . 0 "[ . 1 . 2]"
125 . 1 32 PRO N 1 32 PRO CA 1 32 PRO C 1 33 LYS N -44.55 -3.87 -18.14 -11.41 -14.00 . . 0 "[ . 1 . 2]"
126 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 ILE N -57.39 -8.07 -40.04 -47.06 -34.99 . . 0 "[ . 1 . 2]"
127 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 ALA N -55.81 18.99 -31.23 -28.44 -29.27 . . 0 "[ . 1 . 2]"
128 . 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 ALA N -66.25 49.35 -24.97 -30.09 -19.90 . . 0 "[ . 1 . 2]"
129 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 CYS N -51.54 11.22 -47.80 -51.78 -42.69 0.24 18 0 "[ . 1 . 2]"
130 . 1 41 CYS N 1 41 CYS CA 1 41 CYS C 1 42 ALA N 129.22 175.42 133.78 129.10 144.24 0.12 15 0 "[ . 1 . 2]"
131 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 GLU N 110.45 177.73 124.98 129.14 128.93 . . 0 "[ . 1 . 2]"
132 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 ILE N 101.73 -166.87 148.44 140.67 156.18 . . 0 "[ . 1 . 2]"
133 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 LEU N 104.83 144.07 120.85 120.28 119.67 . . 0 "[ . 1 . 2]"
134 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 ILE N 113.97 146.53 143.48 140.30 146.83 0.30 16 0 "[ . 1 . 2]"
135 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 LYS N 105.44 147.44 130.31 124.81 135.80 . . 0 "[ . 1 . 2]"
136 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 LYS N 109.40 164.60 149.04 143.26 152.98 . . 0 "[ . 1 . 2]"
137 . 1 56 LYS N 1 56 LYS CA 1 56 LYS C 1 57 ILE N 120.65 173.01 123.99 120.45 129.86 0.20 4 0 "[ . 1 . 2]"
138 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 THR N 110.88 177.52 134.22 127.49 140.58 . . 0 "[ . 1 . 2]"
139 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 PHE N 95.74 170.30 128.79 139.23 133.20 . . 0 "[ . 1 . 2]"
140 . 1 59 PHE N 1 59 PHE CA 1 59 PHE C 1 60 GLY N 95.00 143.52 136.77 132.31 131.28 0.02 9 0 "[ . 1 . 2]"
141 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 VAL N 144.39 179.15 145.47 146.08 144.80 0.42 16 0 "[ . 1 . 2]"
142 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 LYS N 119.84 176.84 146.79 140.32 155.15 . . 0 "[ . 1 . 2]"
143 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 HIS N 112.36 154.12 143.54 144.69 144.10 0.18 19 0 "[ . 1 . 2]"
144 . 1 70 HIS N 1 70 HIS CA 1 70 HIS C 1 71 LYS N 109.96 166.20 141.41 131.15 166.57 0.37 7 0 "[ . 1 . 2]"
145 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 ILE N 104.65 158.33 140.08 140.66 139.69 . . 0 "[ . 1 . 2]"
146 . 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 HIS N 105.59 145.91 133.09 138.07 137.98 . . 0 "[ . 1 . 2]"
147 . 1 73 HIS N 1 73 HIS CA 1 73 HIS C 1 74 SER N -49.32 -10.92 -45.78 -47.73 -48.47 . . 0 "[ . 1 . 2]"
148 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 ILE N 121.19 172.91 151.62 150.95 149.49 . . 0 "[ . 1 . 2]"
149 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 ASP N 108.84 145.64 144.26 144.69 144.47 . . 0 "[ . 1 . 2]"
150 . 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 LYS N 90.50 -177.70 92.98 92.43 92.40 . . 0 "[ . 1 . 2]"
151 . 1 79 ASN N 1 79 ASN CA 1 79 ASN C 1 80 HIS N -18.15 21.85 5.16 5.29 5.09 . . 0 "[ . 1 . 2]"
152 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 TYR N 108.60 177.80 136.30 135.04 132.84 . . 0 "[ . 1 . 2]"
153 . 1 82 TYR N 1 82 TYR CA 1 82 TYR C 1 83 SER N 101.67 159.51 126.13 121.27 132.46 . . 0 "[ . 1 . 2]"
154 . 1 83 SER N 1 83 SER CA 1 83 SER C 1 84 TYR N 111.80 143.44 135.02 127.36 140.61 . . 0 "[ . 1 . 2]"
155 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 SER N 115.85 -169.99 169.47 161.79 -177.14 . . 0 "[ . 1 . 2]"
156 . 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 LEU N 99.78 169.42 156.09 149.26 162.64 . . 0 "[ . 1 . 2]"
157 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 ILE N 101.53 176.89 125.95 134.71 133.81 . . 0 "[ . 1 . 2]"
158 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 GLY N 122.99 176.31 158.97 160.43 159.92 . . 0 "[ . 1 . 2]"
159 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 ALA N -52.90 -18.70 -34.16 -32.56 -34.06 . . 0 "[ . 1 . 2]"
160 . 1 91 ALA N 1 91 ALA CA 1 91 ALA C 1 92 LEU N -49.77 25.59 -24.87 -17.37 -20.17 . . 0 "[ . 1 . 2]"
161 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 ASN N -62.84 21.48 -0.36 5.29 -2.05 . . 0 "[ . 1 . 2]"
162 . 1 95 ASN N 1 95 ASN CA 1 95 ASN C 1 96 ILE N -55.62 35.22 -27.05 -21.58 -27.97 . . 0 "[ . 1 . 2]"
163 . 1 97 GLU N 1 97 GLU CA 1 97 GLU C 1 98 LYS N 110.02 179.34 171.38 106.45 -178.35 3.57 13 0 "[ . 1 . 2]"
164 . 1 98 LYS N 1 98 LYS CA 1 98 LYS C 1 99 ILE N 93.49 -175.07 154.32 166.28 165.27 0.27 6 0 "[ . 1 . 2]"
165 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 ASP N 107.75 157.35 133.20 137.68 136.65 . . 0 "[ . 1 . 2]"
166 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 TYR N 108.20 166.52 122.90 121.40 120.13 . . 0 "[ . 1 . 2]"
167 . 1 101 TYR N 1 101 TYR CA 1 101 TYR C 1 102 GLU N 114.29 167.17 139.85 134.08 144.87 . . 0 "[ . 1 . 2]"
168 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 THR N 105.81 144.61 135.73 137.18 136.85 . . 0 "[ . 1 . 2]"
169 . 1 103 THR N 1 103 THR CA 1 103 THR C 1 104 LYS N 108.12 140.28 134.26 128.45 138.53 . . 0 "[ . 1 . 2]"
170 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 LEU N 111.85 176.97 128.13 131.64 129.13 . . 0 "[ . 1 . 2]"
171 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 VAL N 110.13 144.93 124.78 112.50 132.19 . . 0 "[ . 1 . 2]"
172 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 SER N 111.43 148.83 140.64 128.47 149.05 0.22 8 0 "[ . 1 . 2]"
173 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 ALA N 112.99 153.83 148.10 151.66 148.38 0.74 20 0 "[ . 1 . 2]"
174 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 PRO N 100.32 -173.12 166.53 164.59 162.44 . . 0 "[ . 1 . 2]"
175 . 1 113 THR N 1 113 THR CA 1 113 THR C 1 114 ILE N 113.93 148.25 126.95 122.15 134.69 . . 0 "[ . 1 . 2]"
176 . 1 114 ILE N 1 114 ILE CA 1 114 ILE C 1 115 ILE N 97.90 147.82 137.52 127.54 144.31 . . 0 "[ . 1 . 2]"
177 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 LYS N 103.30 145.02 125.06 130.92 129.11 . . 0 "[ . 1 . 2]"
178 . 1 116 LYS N 1 116 LYS CA 1 116 LYS C 1 117 THR N 107.77 139.05 130.90 133.83 132.37 0.06 9 0 "[ . 1 . 2]"
179 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 THR N 104.75 141.95 130.36 121.59 137.86 . . 0 "[ . 1 . 2]"
180 . 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 SER N 103.36 148.68 140.17 133.54 148.63 . . 0 "[ . 1 . 2]"
181 . 1 119 SER N 1 119 SER CA 1 119 SER C 1 120 LYS N 116.30 170.70 144.55 131.33 156.71 . . 0 "[ . 1 . 2]"
182 . 1 120 LYS N 1 120 LYS CA 1 120 LYS C 1 121 TYR N 110.91 158.11 136.57 127.25 123.34 . . 0 "[ . 1 . 2]"
183 . 1 121 TYR N 1 121 TYR CA 1 121 TYR C 1 122 HIS N 115.94 151.50 135.31 121.81 151.26 . . 0 "[ . 1 . 2]"
184 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 LYS N 105.28 175.72 154.33 142.67 163.22 . . 0 "[ . 1 . 2]"
185 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 GLU N 100.94 -159.30 128.62 120.77 136.79 . . 0 "[ . 1 . 2]"
186 . 1 131 GLU N 1 131 GLU CA 1 131 GLU C 1 132 GLU N -51.65 -7.45 -38.91 -42.59 -33.76 . . 0 "[ . 1 . 2]"
187 . 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 HIS N -51.15 -29.19 -37.21 -36.80 -37.21 . . 0 "[ . 1 . 2]"
188 . 1 133 HIS N 1 133 HIS CA 1 133 HIS C 1 134 VAL N -60.88 -31.04 -42.31 -41.75 -42.18 . . 0 "[ . 1 . 2]"
189 . 1 134 VAL N 1 134 VAL CA 1 134 VAL C 1 135 LYS N -57.47 -28.83 -44.06 -48.30 -41.37 . . 0 "[ . 1 . 2]"
190 . 1 135 LYS N 1 135 LYS CA 1 135 LYS C 1 136 ALA N -56.00 -28.64 -40.70 -40.67 -41.21 . . 0 "[ . 1 . 2]"
191 . 1 136 ALA N 1 136 ALA CA 1 136 ALA C 1 137 GLY N -52.76 -24.40 -43.31 -44.50 -45.25 . . 0 "[ . 1 . 2]"
192 . 1 137 GLY N 1 137 GLY CA 1 137 GLY C 1 138 LYS N -59.49 -22.93 -41.29 -49.09 -36.22 . . 0 "[ . 1 . 2]"
193 . 1 138 LYS N 1 138 LYS CA 1 138 LYS C 1 139 GLU N -61.03 -27.43 -43.69 -42.36 -42.63 . . 0 "[ . 1 . 2]"
194 . 1 139 GLU N 1 139 GLU CA 1 139 GLU C 1 140 LYS N -50.51 -32.11 -41.99 -44.69 -50.68 0.17 1 0 "[ . 1 . 2]"
195 . 1 140 LYS N 1 140 LYS CA 1 140 LYS C 1 141 ALA N -46.02 -32.94 -43.97 -41.32 -42.03 0.09 5 0 "[ . 1 . 2]"
196 . 1 141 ALA N 1 141 ALA CA 1 141 ALA C 1 142 ALA N -59.88 -17.32 -45.03 -45.28 -46.23 . . 0 "[ . 1 . 2]"
197 . 1 142 ALA N 1 142 ALA CA 1 142 ALA C 1 143 HIS N -50.47 -30.67 -37.89 -43.16 -30.54 0.13 4 0 "[ . 1 . 2]"
198 . 1 143 HIS N 1 143 HIS CA 1 143 HIS C 1 144 LEU N -58.01 -30.01 -43.29 -53.21 -31.69 . . 0 "[ . 1 . 2]"
199 . 1 144 LEU N 1 144 LEU CA 1 144 LEU C 1 145 PHE N -51.17 -23.89 -44.90 -50.97 -36.07 . . 0 "[ . 1 . 2]"
200 . 1 145 PHE N 1 145 PHE CA 1 145 PHE C 1 146 LYS N -55.61 -21.57 -41.19 -43.92 -44.91 . . 0 "[ . 1 . 2]"
201 . 1 147 LEU N 1 147 LEU CA 1 147 LEU C 1 148 ILE N -48.32 -29.20 -39.39 -45.06 -29.75 . . 0 "[ . 1 . 2]"
202 . 1 148 ILE N 1 148 ILE CA 1 148 ILE C 1 149 GLU N -56.15 -34.99 -49.99 -52.02 -52.93 0.35 18 0 "[ . 1 . 2]"
203 . 1 149 GLU N 1 149 GLU CA 1 149 GLU C 1 150 GLY N -57.19 -18.23 -41.26 -48.82 -29.95 . . 0 "[ . 1 . 2]"
204 . 1 150 GLY N 1 150 GLY CA 1 150 GLY C 1 151 TYR N -58.77 -19.89 -35.16 -42.24 -44.92 . . 0 "[ . 1 . 2]"
205 . 1 151 TYR N 1 151 TYR CA 1 151 TYR C 1 152 LEU N -68.43 -17.99 -46.33 -47.26 -49.04 . . 0 "[ . 1 . 2]"
206 . 1 152 LEU N 1 152 LEU CA 1 152 LEU C 1 153 LYS N -57.28 -16.68 -42.54 -50.42 -31.66 . . 0 "[ . 1 . 2]"
207 . 1 153 LYS N 1 153 LYS CA 1 153 LYS C 1 154 ASP N -52.00 -14.84 -39.21 -48.14 -30.85 . . 0 "[ . 1 . 2]"
208 . 1 154 ASP N 1 154 ASP CA 1 154 ASP C 1 155 HIS N -72.52 11.08 -32.51 -39.83 -40.92 . . 0 "[ . 1 . 2]"
209 . 1 134 VAL HA 1 134 VAL CA 1 134 VAL CB 1 134 VAL HB 150.00 -150.00 -177.96 177.26 -174.27 . . 0 "[ . 1 . 2]"
stop_
save_