NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596875 |
2mti   |
19282 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mti
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 244
_TA_constraint_stats_list.Viol_total 1855.11
_TA_constraint_stats_list.Viol_max 4.45
_TA_constraint_stats_list.Viol_rms 0.31
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 0.76
_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 5 GLU C 1 6 CYS N 1 6 CYS CA 1 6 CYS C -142.31 -32.31 -117.91 -128.58 -137.37 . . 0 "[ . 1]"
2 . 1 6 CYS C 1 7 PRO N 1 7 PRO CA 1 7 PRO C -76.15 -48.27 -60.48 -66.36 -48.78 . . 0 "[ . 1]"
3 . 1 7 PRO C 1 8 GLN N 1 8 GLN CA 1 8 GLN C -66.68 -29.70 -52.75 -44.13 -49.66 . . 0 "[ . 1]"
4 . 1 8 GLN C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -113.34 -58.70 -88.13 -97.71 -78.43 . . 0 "[ . 1]"
5 . 1 11 LEU C 1 12 SER N 1 12 SER CA 1 12 SER C -166.19 -60.29 -106.01 -78.95 -90.82 . . 0 "[ . 1]"
6 . 1 12 SER C 1 13 HIS N 1 13 HIS CA 1 13 HIS C 163.91 -76.51 -145.67 -154.37 -130.39 . . 0 "[ . 1]"
7 . 1 15 ASP C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -177.45 -88.31 -145.51 -147.36 -148.86 . . 0 "[ . 1]"
8 . 1 16 LYS C 1 17 CYS N 1 17 CYS CA 1 17 CYS C -149.94 -82.38 -116.48 -116.34 -123.90 . . 0 "[ . 1]"
9 . 1 17 CYS C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -145.05 -111.95 -115.12 -113.27 -116.63 1.15 5 0 "[ . 1]"
10 . 1 18 PHE C 1 19 HIS N 1 19 HIS CA 1 19 HIS C -146.85 -59.41 -124.78 -137.52 -115.56 . . 0 "[ . 1]"
11 . 1 19 HIS C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -157.81 -60.55 -87.36 -94.12 -81.10 . . 0 "[ . 1]"
12 . 1 20 VAL C 1 21 SER N 1 21 SER CA 1 21 SER C -76.98 -54.20 -77.85 -78.33 -77.26 1.35 5 0 "[ . 1]"
13 . 1 22 GLN C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -168.59 -76.05 -107.13 -108.62 -109.63 . . 0 "[ . 1]"
14 . 1 23 VAL C 1 24 SER N 1 24 SER CA 1 24 SER C -152.81 -89.03 -104.96 -91.77 -98.24 . . 0 "[ . 1]"
15 . 1 24 SER C 1 25 ASN N 1 25 ASN CA 1 25 ASN C -173.69 -72.57 -160.18 -170.88 -152.39 . . 0 "[ . 1]"
16 . 1 25 ASN C 1 26 THR N 1 26 THR CA 1 26 THR C -96.60 -66.60 -84.09 -86.50 -91.81 . . 0 "[ . 1]"
17 . 1 26 THR C 1 27 TRP N 1 27 TRP CA 1 27 TRP C -73.53 -45.21 -58.17 -57.42 -58.35 . . 0 "[ . 1]"
18 . 1 27 TRP C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -67.51 -52.75 -66.36 -64.07 -64.93 1.01 6 0 "[ . 1]"
19 . 1 28 GLU C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -73.79 -59.63 -67.97 -73.91 -61.73 0.12 2 0 "[ . 1]"
20 . 1 29 GLU C 1 30 GLY N 1 30 GLY CA 1 30 GLY C -74.60 -54.70 -62.95 -63.88 -65.57 . . 0 "[ . 1]"
21 . 1 30 GLY C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -66.52 -55.80 -57.34 -58.99 -59.91 0.60 4 0 "[ . 1]"
22 . 1 31 LEU C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -68.02 -58.68 -64.98 -59.30 -61.87 0.46 5 0 "[ . 1]"
23 . 1 32 VAL C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -75.34 -55.78 -61.33 -63.89 -57.47 . . 0 "[ . 1]"
24 . 1 33 ASP C 1 34 CYS N 1 34 CYS CA 1 34 CYS C -74.81 -54.83 -67.72 -68.10 -69.38 . . 0 "[ . 1]"
25 . 1 34 CYS C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -76.95 -50.93 -59.44 -62.75 -55.98 . . 0 "[ . 1]"
26 . 1 35 ASP C 1 36 GLY N 1 36 GLY CA 1 36 GLY C -79.76 -50.30 -61.36 -72.94 -56.17 . . 0 "[ . 1]"
27 . 1 36 GLY C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -123.46 -68.84 -96.16 -108.36 -86.46 . . 0 "[ . 1]"
28 . 1 38 GLY C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -159.91 -86.61 -133.55 -118.51 -129.81 . . 0 "[ . 1]"
29 . 1 39 ALA C 1 40 THR N 1 40 THR CA 1 40 THR C -160.30 -101.12 -118.57 -117.62 -118.88 . . 0 "[ . 1]"
30 . 1 43 LEU C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -164.73 -43.51 -87.81 -88.88 -93.73 . . 0 "[ . 1]"
31 . 1 44 ILE C 1 45 GLN N 1 45 GLN CA 1 45 GLN C -110.25 -59.47 -93.19 -92.90 -100.20 . . 0 "[ . 1]"
32 . 1 45 GLN C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -176.91 -137.37 -148.69 -173.08 -136.96 0.41 8 0 "[ . 1]"
33 . 1 46 ASP C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -80.64 -48.84 -71.01 -70.23 -73.34 0.40 1 0 "[ . 1]"
34 . 1 47 GLN C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -79.51 -58.73 -60.00 -69.08 -57.85 0.88 9 0 "[ . 1]"
35 . 1 48 GLU C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -72.56 -53.10 -62.51 -62.17 -63.16 . . 0 "[ . 1]"
36 . 1 49 GLU C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -72.52 -56.76 -67.93 -71.88 -65.28 . . 0 "[ . 1]"
37 . 1 50 LEU C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -78.56 -46.80 -65.80 -64.71 -66.02 . . 0 "[ . 1]"
38 . 1 51 ARG C 1 52 PHE N 1 52 PHE CA 1 52 PHE C -73.27 -51.63 -72.63 -68.06 -72.10 0.99 3 0 "[ . 1]"
39 . 1 52 PHE C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -76.55 -51.85 -63.56 -62.48 -63.52 . . 0 "[ . 1]"
40 . 1 53 LEU C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -70.23 -48.99 -55.21 -57.78 -51.96 . . 0 "[ . 1]"
41 . 1 54 LEU C 1 55 ASP N 1 55 ASP CA 1 55 ASP C -73.35 -51.79 -67.53 -73.56 -59.16 0.21 2 0 "[ . 1]"
42 . 1 55 ASP C 1 56 SER N 1 56 SER CA 1 56 SER C -87.84 -42.40 -81.30 -88.27 -75.53 0.43 3 0 "[ . 1]"
43 . 1 56 SER C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -113.30 -40.04 -63.14 -83.54 -56.07 . . 0 "[ . 1]"
44 . 1 60 LYS C 1 61 TYR N 1 61 TYR CA 1 61 TYR C -128.82 -66.44 -82.74 -73.29 -77.54 . . 0 "[ . 1]"
45 . 1 62 ASN C 1 63 SER N 1 63 SER CA 1 63 SER C -151.74 -61.50 -143.31 -151.97 -137.63 0.23 4 0 "[ . 1]"
46 . 1 63 SER C 1 64 PHE N 1 64 PHE CA 1 64 PHE C -160.73 -93.61 -124.90 -124.50 -128.83 . . 0 "[ . 1]"
47 . 1 65 TRP C 1 66 ILE N 1 66 ILE CA 1 66 ILE C -157.90 -93.14 -118.53 -121.15 -115.59 . . 0 "[ . 1]"
48 . 1 67 GLY C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -157.34 -89.48 -116.17 -127.44 -101.93 . . 0 "[ . 1]"
49 . 1 68 LEU C 1 69 ARG N 1 69 ARG CA 1 69 ARG C -145.79 -97.19 -129.14 -142.52 -122.02 . . 0 "[ . 1]"
50 . 1 69 ARG C 1 70 TYR N 1 70 TYR CA 1 70 TYR C -122.76 -74.00 -88.55 -91.06 -91.11 . . 0 "[ . 1]"
51 . 1 70 TYR C 1 71 THR N 1 71 THR CA 1 71 THR C -162.04 -84.18 -101.00 -115.70 -85.68 . . 0 "[ . 1]"
52 . 1 71 THR C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -119.58 -41.52 -120.46 -120.83 -119.89 1.25 8 0 "[ . 1]"
53 . 1 72 LEU C 1 73 PRO N 1 73 PRO CA 1 73 PRO C -85.97 -45.77 -85.21 -83.69 -85.11 1.04 9 0 "[ . 1]"
54 . 1 74 ASP C 1 75 MET N 1 75 MET CA 1 75 MET C 51.31 70.27 67.91 63.82 71.73 1.46 6 0 "[ . 1]"
55 . 1 75 MET C 1 76 ASN N 1 76 ASN CA 1 76 ASN C -146.27 -79.19 -113.39 -124.71 -95.93 . . 0 "[ . 1]"
56 . 1 76 ASN C 1 77 TRP N 1 77 TRP CA 1 77 TRP C -150.73 -47.71 -93.60 -103.29 -86.93 . . 0 "[ . 1]"
57 . 1 77 TRP C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -148.91 -85.09 -118.07 -126.79 -105.28 . . 0 "[ . 1]"
58 . 1 78 LYS C 1 79 TRP N 1 79 TRP CA 1 79 TRP C -97.91 -66.89 -94.24 -93.63 -95.62 0.64 5 0 "[ . 1]"
59 . 1 79 TRP C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -96.02 -32.30 -71.31 -69.38 -71.83 . . 0 "[ . 1]"
60 . 1 80 ILE C 1 81 ASN N 1 81 ASN CA 1 81 ASN C -108.26 -72.78 -87.85 -95.55 -83.30 . . 0 "[ . 1]"
61 . 1 81 ASN C 1 82 GLY N 1 82 GLY CA 1 82 GLY C 78.48 102.96 99.92 88.10 105.30 2.34 1 0 "[ . 1]"
62 . 1 84 THR C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -109.72 -55.08 -56.89 -56.91 -62.98 1.22 5 0 "[ . 1]"
63 . 1 85 LEU C 1 86 ASN N 1 86 ASN CA 1 86 ASN C -127.73 -63.67 -94.03 -100.87 -86.51 . . 0 "[ . 1]"
64 . 1 86 ASN C 1 87 SER N 1 87 SER CA 1 87 SER C -70.46 -56.10 -70.60 -73.08 -64.18 2.62 10 0 "[ . 1]"
65 . 1 87 SER C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -77.20 -57.46 -77.63 -78.44 -75.43 1.24 3 0 "[ . 1]"
66 . 1 88 ASP C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -119.73 -75.77 -76.41 -75.46 -75.76 1.45 5 0 "[ . 1]"
67 . 1 89 VAL C 1 90 LEU N 1 90 LEU CA 1 90 LEU C 150.35 -80.23 -150.78 -157.37 -140.29 . . 0 "[ . 1]"
68 . 1 90 LEU C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -149.98 -58.06 -67.46 -69.41 -70.64 0.34 4 0 "[ . 1]"
69 . 1 91 LYS C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -154.73 -41.55 -145.80 -152.32 -139.23 . . 0 "[ . 1]"
70 . 1 92 ILE C 1 93 THR N 1 93 THR CA 1 93 THR C -167.89 -56.25 -74.27 -61.06 -62.24 . . 0 "[ . 1]"
71 . 1 98 ASN C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -122.96 -52.70 -95.02 -119.52 -72.16 . . 0 "[ . 1]"
72 . 1 99 ASP C 1 100 SER N 1 100 SER CA 1 100 SER C 159.33 -63.95 -72.68 -72.10 -72.85 1.59 5 0 "[ . 1]"
73 . 1 101 CYS C 1 102 ALA N 1 102 ALA CA 1 102 ALA C -169.28 -83.20 -94.87 -98.09 -99.81 . . 0 "[ . 1]"
74 . 1 102 ALA C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -164.98 -113.58 -142.96 -143.25 -143.29 . . 0 "[ . 1]"
75 . 1 103 ALA C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -153.64 -78.18 -77.54 -77.84 -78.13 1.23 10 0 "[ . 1]"
76 . 1 104 ILE C 1 105 SER N 1 105 SER CA 1 105 SER C -160.12 -70.38 -132.35 -134.97 -140.42 . . 0 "[ . 1]"
77 . 1 106 GLY C 1 107 ASP N 1 107 ASP CA 1 107 ASP C -129.78 -72.88 -99.30 -100.15 -101.86 . . 0 "[ . 1]"
78 . 1 107 ASP C 1 108 LYS N 1 108 LYS CA 1 108 LYS C 160.29 -82.35 -126.00 -134.92 -110.89 . . 0 "[ . 1]"
79 . 1 108 LYS C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -145.64 -65.00 -106.39 -106.00 -111.86 . . 0 "[ . 1]"
80 . 1 109 VAL C 1 110 THR N 1 110 THR CA 1 110 THR C -130.86 -92.58 -128.42 -131.88 -122.04 1.02 8 0 "[ . 1]"
81 . 1 110 THR C 1 111 PHE N 1 111 PHE CA 1 111 PHE C -148.77 -99.47 -131.25 -146.50 -148.46 0.30 9 0 "[ . 1]"
82 . 1 111 PHE C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -174.31 -92.95 -134.50 -161.30 -118.06 . . 0 "[ . 1]"
83 . 1 112 GLU C 1 113 SER N 1 113 SER CA 1 113 SER C -109.62 -49.92 -66.50 -78.31 -53.94 . . 0 "[ . 1]"
84 . 1 113 SER C 1 114 CYS N 1 114 CYS CA 1 114 CYS C -77.06 -47.18 -54.42 -50.71 -53.57 0.15 9 0 "[ . 1]"
85 . 1 114 CYS C 1 115 ASN N 1 115 ASN CA 1 115 ASN C -126.53 -67.61 -86.66 -100.97 -77.15 . . 0 "[ . 1]"
86 . 1 119 ARG C 1 120 TRP N 1 120 TRP CA 1 120 TRP C -178.69 -89.43 -153.59 -156.58 -149.77 . . 0 "[ . 1]"
87 . 1 120 TRP C 1 121 ILE N 1 121 ILE CA 1 121 ILE C -165.90 -91.46 -122.92 -122.22 -124.06 . . 0 "[ . 1]"
88 . 1 121 ILE C 1 122 CYS N 1 122 CYS CA 1 122 CYS C -154.39 -71.47 -103.35 -110.03 -97.02 . . 0 "[ . 1]"
89 . 1 122 CYS C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -160.72 -117.76 -123.53 -128.25 -117.93 . . 0 "[ . 1]"
90 . 1 123 GLN C 1 124 LYS N 1 124 LYS CA 1 124 LYS C -166.47 -109.97 -112.92 -109.98 -110.64 1.03 4 0 "[ . 1]"
91 . 1 124 LYS C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -140.80 -37.60 -74.13 -80.35 -83.53 . . 0 "[ . 1]"
92 . 1 6 CYS N 1 6 CYS CA 1 6 CYS C 1 7 PRO N 99.53 -172.31 162.56 161.91 157.06 . . 0 "[ . 1]"
93 . 1 7 PRO N 1 7 PRO CA 1 7 PRO C 1 8 GLN N 129.25 163.79 159.66 156.37 153.22 1.02 10 0 "[ . 1]"
94 . 1 8 GLN N 1 8 GLN CA 1 8 GLN C 1 9 ASP N -64.92 -19.18 -37.21 -48.64 -21.51 . . 0 "[ . 1]"
95 . 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 TRP N -35.71 24.59 4.90 2.18 -10.84 . . 0 "[ . 1]"
96 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 HIS N 104.73 177.45 129.95 114.44 148.81 . . 0 "[ . 1]"
97 . 1 13 HIS N 1 13 HIS CA 1 13 HIS C 1 14 ARG N 103.52 151.52 123.45 108.15 154.78 3.26 1 0 "[ . 1]"
98 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 CYS N 144.08 169.72 152.73 148.01 143.80 1.50 1 0 "[ . 1]"
99 . 1 17 CYS N 1 17 CYS CA 1 17 CYS C 1 18 PHE N 108.87 159.35 139.51 140.36 139.28 . . 0 "[ . 1]"
100 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 HIS N 112.69 168.05 141.40 141.67 140.51 . . 0 "[ . 1]"
101 . 1 19 HIS N 1 19 HIS CA 1 19 HIS C 1 20 VAL N 75.84 154.70 108.73 107.99 106.64 . . 0 "[ . 1]"
102 . 1 20 VAL N 1 20 VAL CA 1 20 VAL C 1 21 SER N 76.42 162.28 95.18 93.57 92.47 . . 0 "[ . 1]"
103 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 VAL N -81.80 12.88 14.34 13.75 14.79 1.91 7 0 "[ . 1]"
104 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 SER N 121.12 -156.04 155.50 153.55 150.09 . . 0 "[ . 1]"
105 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 ASN N 115.50 158.64 150.00 156.74 152.80 0.34 8 0 "[ . 1]"
106 . 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 THR N 102.47 -177.09 175.71 169.73 -176.69 0.40 7 0 "[ . 1]"
107 . 1 26 THR N 1 26 THR CA 1 26 THR C 1 27 TRP N 148.68 176.52 169.60 163.96 176.62 0.10 7 0 "[ . 1]"
108 . 1 27 TRP N 1 27 TRP CA 1 27 TRP C 1 28 GLU N -54.06 -35.18 -50.71 -53.26 -53.83 . . 0 "[ . 1]"
109 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 GLU N -48.98 -32.16 -33.57 -38.01 -30.62 1.54 5 0 "[ . 1]"
110 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 GLY N -52.29 -14.97 -45.94 -49.55 -42.15 . . 0 "[ . 1]"
111 . 1 30 GLY N 1 30 GLY CA 1 30 GLY C 1 31 LEU N -57.40 -32.14 -34.02 -35.87 -31.92 0.22 4 0 "[ . 1]"
112 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 VAL N -52.07 -33.11 -51.13 -52.87 -46.86 0.80 5 0 "[ . 1]"
113 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 ASP N -49.77 -32.11 -34.67 -38.95 -31.80 0.31 5 0 "[ . 1]"
114 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 CYS N -52.48 -36.66 -37.83 -36.69 -36.76 0.31 7 0 "[ . 1]"
115 . 1 34 CYS N 1 34 CYS CA 1 34 CYS C 1 35 ASP N -47.80 -25.30 -41.32 -43.47 -39.68 . . 0 "[ . 1]"
116 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 GLY N -58.43 -21.95 -31.19 -29.88 -33.16 . . 0 "[ . 1]"
117 . 1 36 GLY N 1 36 GLY CA 1 36 GLY C 1 37 LYS N -58.69 6.65 -28.84 -37.16 -14.54 . . 0 "[ . 1]"
118 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 GLY N -17.17 20.09 3.10 8.93 5.80 . . 0 "[ . 1]"
119 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 THR N 139.85 176.09 175.83 166.16 178.04 1.95 1 0 "[ . 1]"
120 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 LEU N 127.18 176.66 158.36 159.56 158.48 . . 0 "[ . 1]"
121 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 GLN N 92.08 170.26 119.24 105.81 132.84 . . 0 "[ . 1]"
122 . 1 45 GLN N 1 45 GLN CA 1 45 GLN C 1 46 ASP N -69.30 4.34 -32.42 -32.32 -44.27 . . 0 "[ . 1]"
123 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 GLN N 154.76 -168.50 170.87 160.42 -179.02 . . 0 "[ . 1]"
124 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 GLU N -51.60 -15.16 -31.42 -39.63 -19.42 . . 0 "[ . 1]"
125 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 GLU N -46.73 -27.95 -29.20 -30.23 -33.23 1.82 4 0 "[ . 1]"
126 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 LEU N -54.23 -26.77 -54.73 -56.27 -52.13 2.04 10 0 "[ . 1]"
127 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 ARG N -50.49 -25.11 -26.21 -28.47 -24.26 0.85 7 0 "[ . 1]"
128 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 PHE N -49.47 -31.05 -37.01 -44.93 -32.02 . . 0 "[ . 1]"
129 . 1 52 PHE N 1 52 PHE CA 1 52 PHE C 1 53 LEU N -59.70 -25.60 -29.45 -37.00 -25.28 0.32 9 0 "[ . 1]"
130 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 LEU N -54.14 -34.42 -50.45 -53.17 -48.15 . . 0 "[ . 1]"
131 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 ASP N -52.28 -27.44 -36.05 -40.63 -33.36 . . 0 "[ . 1]"
132 . 1 55 ASP N 1 55 ASP CA 1 55 ASP C 1 56 SER N -60.20 -13.24 -42.62 -44.58 -46.21 . . 0 "[ . 1]"
133 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 ILE N -58.99 -10.19 -25.64 -34.98 -9.69 0.50 9 0 "[ . 1]"
134 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 LYS N -67.88 16.20 -49.94 -45.73 -45.97 . . 0 "[ . 1]"
135 . 1 61 TYR N 1 61 TYR CA 1 61 TYR C 1 62 ASN N -43.55 37.23 20.53 -21.95 37.84 0.61 6 0 "[ . 1]"
136 . 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 PHE N 106.42 -165.98 121.68 114.03 133.09 . . 0 "[ . 1]"
137 . 1 64 PHE N 1 64 PHE CA 1 64 PHE C 1 65 TRP N 110.80 173.16 118.44 123.47 120.21 . . 0 "[ . 1]"
138 . 1 65 TRP N 1 65 TRP CA 1 65 TRP C 1 66 ILE N 122.10 -175.62 138.76 137.59 136.76 . . 0 "[ . 1]"
139 . 1 66 ILE N 1 66 ILE CA 1 66 ILE C 1 67 GLY N 136.90 177.18 175.54 172.76 177.33 0.15 3 0 "[ . 1]"
140 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ARG N 104.06 171.04 119.19 118.28 115.51 . . 0 "[ . 1]"
141 . 1 69 ARG N 1 69 ARG CA 1 69 ARG C 1 70 TYR N 105.90 149.12 139.47 140.38 137.65 . . 0 "[ . 1]"
142 . 1 70 TYR N 1 70 TYR CA 1 70 TYR C 1 71 THR N 114.41 143.13 115.80 124.50 113.69 1.82 3 0 "[ . 1]"
143 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 LEU N 102.81 176.53 123.15 117.86 116.88 . . 0 "[ . 1]"
144 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 PRO N 92.36 164.68 144.15 133.20 150.59 . . 0 "[ . 1]"
145 . 1 73 PRO N 1 73 PRO CA 1 73 PRO C 1 74 ASP N 127.09 167.73 130.09 125.91 141.75 1.18 9 0 "[ . 1]"
146 . 1 75 MET N 1 75 MET CA 1 75 MET C 1 76 ASN N 8.76 55.44 15.94 15.41 11.83 0.51 6 0 "[ . 1]"
147 . 1 76 ASN N 1 76 ASN CA 1 76 ASN C 1 77 TRP N 123.83 168.71 156.48 157.26 155.37 . . 0 "[ . 1]"
148 . 1 77 TRP N 1 77 TRP CA 1 77 TRP C 1 78 LYS N 95.23 -177.87 121.56 134.41 125.72 . . 0 "[ . 1]"
149 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 TRP N 106.67 170.53 152.36 145.98 158.84 . . 0 "[ . 1]"
150 . 1 79 TRP N 1 79 TRP CA 1 79 TRP C 1 80 ILE N 96.85 -139.47 171.26 165.02 178.14 . . 0 "[ . 1]"
151 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 ASN N -54.62 15.66 -16.98 -20.42 -23.20 . . 0 "[ . 1]"
152 . 1 81 ASN N 1 81 ASN CA 1 81 ASN C 1 82 GLY N -29.56 24.30 -9.44 -14.14 -15.98 . . 0 "[ . 1]"
153 . 1 82 GLY N 1 82 GLY CA 1 82 GLY C 1 83 SER N -20.55 8.09 5.20 -2.72 8.49 0.40 1 0 "[ . 1]"
154 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ASN N 97.21 158.87 138.85 143.86 142.36 . . 0 "[ . 1]"
155 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 SER N 59.46 152.08 90.66 89.83 87.85 . . 0 "[ . 1]"
156 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 ASP N -50.47 4.01 -7.86 -12.24 3.83 . . 0 "[ . 1]"
157 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 VAL N -57.94 1.34 -10.18 -12.49 -14.12 . . 0 "[ . 1]"
158 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 LEU N -58.59 21.49 -51.82 -55.47 -47.69 . . 0 "[ . 1]"
159 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 LYS N 114.29 -178.55 179.80 -178.44 -179.01 0.75 4 0 "[ . 1]"
160 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 ILE N 93.26 175.40 109.61 109.51 102.67 . . 0 "[ . 1]"
161 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 THR N 96.86 173.46 108.76 103.54 99.47 0.19 1 0 "[ . 1]"
162 . 1 93 THR N 1 93 THR CA 1 93 THR C 1 94 GLY N 88.31 -167.05 130.51 127.69 124.67 . . 0 "[ . 1]"
163 . 1 99 ASP N 1 99 ASP CA 1 99 ASP C 1 100 SER N -61.39 26.01 27.62 25.75 30.46 4.45 5 0 "[ . 1]"
164 . 1 100 SER N 1 100 SER CA 1 100 SER C 1 101 CYS N 135.94 -176.94 152.80 149.07 142.62 . . 0 "[ . 1]"
165 . 1 102 ALA N 1 102 ALA CA 1 102 ALA C 1 103 ALA N 114.58 177.66 149.41 153.81 153.14 . . 0 "[ . 1]"
166 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 ILE N 136.17 176.69 149.72 150.20 148.43 . . 0 "[ . 1]"
167 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 SER N 110.51 152.73 121.94 112.11 131.06 . . 0 "[ . 1]"
168 . 1 107 ASP N 1 107 ASP CA 1 107 ASP C 1 108 LYS N -60.57 29.95 7.17 -19.16 22.36 . . 0 "[ . 1]"
169 . 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 VAL N 120.44 -176.78 168.29 -176.66 174.69 0.12 2 0 "[ . 1]"
170 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 THR N 105.07 145.13 133.74 135.41 134.24 . . 0 "[ . 1]"
171 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 PHE N 141.98 174.90 163.53 175.08 171.69 0.83 8 0 "[ . 1]"
172 . 1 111 PHE N 1 111 PHE CA 1 111 PHE C 1 112 GLU N 121.45 167.57 137.72 156.91 145.86 . . 0 "[ . 1]"
173 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 SER N 132.86 -176.28 175.00 -176.88 179.58 . . 0 "[ . 1]"
174 . 1 113 SER N 1 113 SER CA 1 113 SER C 1 114 CYS N 104.64 152.50 128.76 127.06 125.48 . . 0 "[ . 1]"
175 . 1 114 CYS N 1 114 CYS CA 1 114 CYS C 1 115 ASN N -47.01 -8.99 -19.79 -12.93 -16.88 . . 0 "[ . 1]"
176 . 1 115 ASN N 1 115 ASN CA 1 115 ASN C 1 116 SER N -45.71 44.29 0.38 3.66 0.16 . . 0 "[ . 1]"
177 . 1 120 TRP N 1 120 TRP CA 1 120 TRP C 1 121 ILE N 134.45 173.75 166.12 160.99 172.72 . . 0 "[ . 1]"
178 . 1 121 ILE N 1 121 ILE CA 1 121 ILE C 1 122 CYS N 105.57 179.87 124.56 122.25 118.28 . . 0 "[ . 1]"
179 . 1 122 CYS N 1 122 CYS CA 1 122 CYS C 1 123 GLN N 110.62 175.64 144.51 146.90 145.25 . . 0 "[ . 1]"
180 . 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 LYS N 127.40 178.92 138.76 132.76 154.06 . . 0 "[ . 1]"
181 . 1 124 LYS N 1 124 LYS CA 1 124 LYS C 1 125 GLU N 108.94 160.98 112.10 106.49 124.31 2.45 6 0 "[ . 1]"
182 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 LEU N 114.11 157.33 121.97 124.23 124.00 . . 0 "[ . 1]"
183 . 1 4 LEU N 1 4 LEU CA 1 4 LEU CB 1 4 LEU CG -90.00 -30.00 -60.48 -65.36 -68.95 . . 0 "[ . 1]"
184 . 1 5 GLU N 1 5 GLU CA 1 5 GLU CB 1 5 GLU CG -90.00 -30.00 -63.40 -56.80 -58.09 . . 0 "[ . 1]"
185 . 1 9 ASP N 1 9 ASP CA 1 9 ASP CB 1 9 ASP CG -90.00 -30.00 -59.25 -69.41 -45.86 . . 0 "[ . 1]"
186 . 1 14 ARG N 1 14 ARG CA 1 14 ARG CB 1 14 ARG CG -90.00 -30.00 -65.82 -90.79 -52.76 0.79 6 0 "[ . 1]"
187 . 1 16 LYS N 1 16 LYS CA 1 16 LYS CB 1 16 LYS CG -90.00 -30.00 -61.10 -69.48 -53.50 . . 0 "[ . 1]"
188 . 1 20 VAL N 1 20 VAL CA 1 20 VAL CB 1 20 VAL CG1 150.00 -150.00 -179.37 178.40 -177.53 . . 0 "[ . 1]"
189 . 1 22 GLN N 1 22 GLN CA 1 22 GLN CB 1 22 GLN CG -90.00 -30.00 -72.73 -72.93 -77.40 . . 0 "[ . 1]"
190 . 1 23 VAL N 1 23 VAL CA 1 23 VAL CB 1 23 VAL CG1 -90.00 -30.00 -72.74 -74.58 -70.10 . . 0 "[ . 1]"
191 . 1 25 ASN N 1 25 ASN CA 1 25 ASN CB 1 25 ASN CG -90.00 -30.00 -88.37 -90.72 -84.25 0.72 10 0 "[ . 1]"
192 . 1 26 THR N 1 26 THR CA 1 26 THR CB 1 26 THR OG1 30.00 90.00 55.01 47.67 60.55 . . 0 "[ . 1]"
193 . 1 27 TRP N 1 27 TRP CA 1 27 TRP CB 1 27 TRP CG 150.00 -150.00 -178.51 -178.29 -178.90 . . 0 "[ . 1]"
194 . 1 32 VAL N 1 32 VAL CA 1 32 VAL CB 1 32 VAL CG1 150.00 -150.00 179.74 177.26 -177.14 . . 0 "[ . 1]"
195 . 1 33 ASP N 1 33 ASP CA 1 33 ASP CB 1 33 ASP CG -90.00 -30.00 -90.00 -90.51 -90.92 2.16 6 0 "[ . 1]"
196 . 1 34 CYS N 1 34 CYS CA 1 34 CYS CB 1 34 CYS SG -90.00 -30.00 -57.78 -62.91 -53.28 . . 0 "[ . 1]"
197 . 1 35 ASP N 1 35 ASP CA 1 35 ASP CB 1 35 ASP CG -90.00 -30.00 -77.62 -90.30 -64.80 0.30 8 0 "[ . 1]"
198 . 1 37 LYS N 1 37 LYS CA 1 37 LYS CB 1 37 LYS CG -90.00 -30.00 -63.22 -59.39 -62.57 . . 0 "[ . 1]"
199 . 1 40 THR N 1 40 THR CA 1 40 THR CB 1 40 THR OG1 30.00 90.00 38.13 40.26 40.17 . . 0 "[ . 1]"
200 . 1 44 ILE N 1 44 ILE CA 1 44 ILE CB 1 44 ILE CG1 -90.00 -30.00 -50.65 -53.32 -47.66 . . 0 "[ . 1]"
201 . 1 55 ASP N 1 55 ASP CA 1 55 ASP CB 1 55 ASP CG -90.00 -30.00 -75.34 -80.50 -81.45 . . 0 "[ . 1]"
202 . 1 56 SER N 1 56 SER CA 1 56 SER CB 1 56 SER OG 30.00 90.00 49.67 50.10 48.37 . . 0 "[ . 1]"
203 . 1 57 ILE N 1 57 ILE CA 1 57 ILE CB 1 57 ILE CG1 -90.00 -30.00 -64.84 -59.91 -63.35 . . 0 "[ . 1]"
204 . 1 59 GLU N 1 59 GLU CA 1 59 GLU CB 1 59 GLU CG -90.00 -30.00 -63.48 -68.10 -72.01 . . 0 "[ . 1]"
205 . 1 64 PHE N 1 64 PHE CA 1 64 PHE CB 1 64 PHE CG -90.00 -30.00 -34.41 -38.74 -29.82 0.18 4 0 "[ . 1]"
206 . 1 65 TRP N 1 65 TRP CA 1 65 TRP CB 1 65 TRP CG -90.00 -30.00 -57.73 -58.19 -58.66 . . 0 "[ . 1]"
207 . 1 68 LEU N 1 68 LEU CA 1 68 LEU CB 1 68 LEU CG -90.00 -30.00 -80.58 -87.03 -76.45 . . 0 "[ . 1]"
208 . 1 75 MET N 1 75 MET CA 1 75 MET CB 1 75 MET CG -90.00 -30.00 -71.75 -69.69 -75.22 . . 0 "[ . 1]"
209 . 1 76 ASN N 1 76 ASN CA 1 76 ASN CB 1 76 ASN CG -90.00 -30.00 -72.53 -75.62 -68.29 . . 0 "[ . 1]"
210 . 1 77 TRP N 1 77 TRP CA 1 77 TRP CB 1 77 TRP CG -90.00 -30.00 -68.34 -67.07 -69.29 . . 0 "[ . 1]"
211 . 1 79 TRP N 1 79 TRP CA 1 79 TRP CB 1 79 TRP CG -90.00 -30.00 -50.13 -52.33 -53.94 . . 0 "[ . 1]"
212 . 1 84 THR N 1 84 THR CA 1 84 THR CB 1 84 THR OG1 -90.00 -30.00 -51.76 -49.56 -49.76 . . 0 "[ . 1]"
213 . 1 86 ASN N 1 86 ASN CA 1 86 ASN CB 1 86 ASN CG 150.00 -150.00 -177.10 176.95 -172.44 . . 0 "[ . 1]"
214 . 1 88 ASP N 1 88 ASP CA 1 88 ASP CB 1 88 ASP CG -90.00 -30.00 -66.79 -68.36 -68.82 . . 0 "[ . 1]"
215 . 1 90 LEU N 1 90 LEU CA 1 90 LEU CB 1 90 LEU CG -90.00 -30.00 -63.05 -63.95 -64.47 . . 0 "[ . 1]"
216 . 1 92 ILE N 1 92 ILE CA 1 92 ILE CB 1 92 ILE CG1 -90.00 -30.00 -47.09 -50.54 -41.18 . . 0 "[ . 1]"
217 . 1 93 THR N 1 93 THR CA 1 93 THR CB 1 93 THR OG1 -90.00 -30.00 -45.39 -49.01 -41.91 . . 0 "[ . 1]"
218 . 1 97 GLU N 1 97 GLU CA 1 97 GLU CB 1 97 GLU CG -90.00 -30.00 -57.34 -76.00 -43.30 . . 0 "[ . 1]"
219 . 1 98 ASN N 1 98 ASN CA 1 98 ASN CB 1 98 ASN CG -90.00 -30.00 -71.53 -69.04 -76.01 . . 0 "[ . 1]"
220 . 1 99 ASP N 1 99 ASP CA 1 99 ASP CB 1 99 ASP CG 150.00 -150.00 -173.21 -179.84 -164.91 . . 0 "[ . 1]"
221 . 1 104 ILE N 1 104 ILE CA 1 104 ILE CB 1 104 ILE CG1 -90.00 -30.00 -70.58 -71.45 -72.23 . . 0 "[ . 1]"
222 . 1 105 SER N 1 105 SER CA 1 105 SER CB 1 105 SER OG 150.00 -150.00 -167.38 -176.76 -154.89 . . 0 "[ . 1]"
223 . 1 108 LYS N 1 108 LYS CA 1 108 LYS CB 1 108 LYS CG -90.00 -30.00 -49.58 -44.93 -46.16 . . 0 "[ . 1]"
224 . 1 109 VAL N 1 109 VAL CA 1 109 VAL CB 1 109 VAL CG1 150.00 -150.00 -166.02 -165.47 -167.55 . . 0 "[ . 1]"
225 . 1 114 CYS N 1 114 CYS CA 1 114 CYS CB 1 114 CYS SG -90.00 -30.00 -51.91 -61.06 -44.09 . . 0 "[ . 1]"
226 . 1 116 SER N 1 116 SER CA 1 116 SER CB 1 116 SER OG 30.00 90.00 52.39 49.80 56.85 . . 0 "[ . 1]"
227 . 1 117 ASP N 1 117 ASP CA 1 117 ASP CB 1 117 ASP CG 150.00 -150.00 -178.10 149.63 -165.50 0.37 2 0 "[ . 1]"
228 . 1 119 ARG N 1 119 ARG CA 1 119 ARG CB 1 119 ARG CG -90.00 -30.00 -55.11 -58.13 -52.92 . . 0 "[ . 1]"
229 . 1 120 TRP N 1 120 TRP CA 1 120 TRP CB 1 120 TRP CG 30.00 90.00 70.97 72.21 72.09 . . 0 "[ . 1]"
230 . 1 121 ILE N 1 121 ILE CA 1 121 ILE CB 1 121 ILE CG1 -90.00 -30.00 -59.44 -61.06 -57.02 . . 0 "[ . 1]"
231 . 1 122 CYS N 1 122 CYS CA 1 122 CYS CB 1 122 CYS SG -90.00 -30.00 -63.91 -63.90 -66.02 . . 0 "[ . 1]"
232 . 1 124 LYS N 1 124 LYS CA 1 124 LYS CB 1 124 LYS CG 150.00 -150.00 -171.82 -166.07 -174.22 . . 0 "[ . 1]"
233 . 1 129 GLU N 1 129 GLU CA 1 129 GLU CB 1 129 GLU CG -90.00 -30.00 -62.81 -78.16 -51.17 . . 0 "[ . 1]"
234 . 1 130 THR N 1 130 THR CA 1 130 THR CB 1 130 THR OG1 -90.00 -30.00 -49.14 -56.16 -38.92 . . 0 "[ . 1]"
235 . 1 133 ASN N 1 133 ASN CA 1 133 ASN CB 1 133 ASN CG -90.00 -30.00 -63.83 -54.55 -58.34 . . 0 "[ . 1]"
236 . 1 135 VAL N 1 135 VAL CA 1 135 VAL CB 1 135 VAL CG1 150.00 -150.00 -175.92 179.29 -171.75 . . 0 "[ . 1]"
237 . 1 137 TYR N 1 137 TYR CA 1 137 TYR CB 1 137 TYR CG -90.00 -30.00 -61.89 -64.95 -72.84 . . 0 "[ . 1]"
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