Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437647 | 2k3g RC | 15956 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k3g
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 175
_TA_constraint_stats_list.Viol_count 769
_TA_constraint_stats_list.Viol_total 4334.99
_TA_constraint_stats_list.Viol_max 2.56
_TA_constraint_stats_list.Viol_rms 0.16
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_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 5 THR N 1 5 THR CA 1 5 THR CB 1 5 THR OG1 -90.00 -30.00 -49.55 -49.64 -49.95 . . 0 "[ . 1 . 2 ]"
2 . 1 6 LEU N 1 6 LEU CA 1 6 LEU CB 1 6 LEU CG -90.00 -30.00 -74.87 -68.20 -72.13 . . 0 "[ . 1 . 2 ]"
3 . 1 8 PHE N 1 8 PHE CA 1 8 PHE CB 1 8 PHE CG 30.00 90.00 59.61 53.32 69.44 . . 0 "[ . 1 . 2 ]"
4 . 1 9 LEU N 1 9 LEU CA 1 9 LEU CB 1 9 LEU CG 150.00 -150.00 -170.07 -171.41 -167.64 . . 0 "[ . 1 . 2 ]"
5 . 1 12 TYR N 1 12 TYR CA 1 12 TYR CB 1 12 TYR CG 150.00 -150.00 -175.31 179.71 -169.05 . . 0 "[ . 1 . 2 ]"
6 . 1 17 CYS N 1 17 CYS CA 1 17 CYS CB 1 17 CYS SG 150.00 -150.00 -149.95 -149.94 -149.96 0.14 15 0 "[ . 1 . 2 ]"
7 . 1 20 ASP N 1 20 ASP CA 1 20 ASP CB 1 20 ASP CG 30.00 90.00 61.37 61.26 61.74 . . 0 "[ . 1 . 2 ]"
8 . 1 22 ILE N 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 -90.00 -30.00 -59.20 -58.63 -59.53 . . 0 "[ . 1 . 2 ]"
9 . 1 23 ASN N 1 23 ASN CA 1 23 ASN CB 1 23 ASN CG 30.00 90.00 64.85 63.98 66.82 . . 0 "[ . 1 . 2 ]"
10 . 1 25 THR N 1 25 THR CA 1 25 THR CB 1 25 THR OG1 30.00 90.00 55.35 55.77 54.92 . . 0 "[ . 1 . 2 ]"
11 . 1 26 CYS N 1 26 CYS CA 1 26 CYS CB 1 26 CYS SG 30.00 90.00 58.78 58.33 59.56 . . 0 "[ . 1 . 2 ]"
12 . 1 27 ILE N 1 27 ILE CA 1 27 ILE CB 1 27 ILE CG1 -90.00 -30.00 -60.64 -60.94 -60.30 . . 0 "[ . 1 . 2 ]"
13 . 1 28 THR N 1 28 THR CA 1 28 THR CB 1 28 THR OG1 150.00 -150.00 179.85 179.23 -179.18 . . 0 "[ . 1 . 2 ]"
14 . 1 29 ASN N 1 29 ASN CA 1 29 ASN CB 1 29 ASN CG 30.00 90.00 58.69 57.27 60.85 . . 0 "[ . 1 . 2 ]"
15 . 1 31 HIS N 1 31 HIS CA 1 31 HIS CB 1 31 HIS CG -90.00 -30.00 -52.08 -60.49 -43.45 . . 0 "[ . 1 . 2 ]"
16 . 1 32 CYS N 1 32 CYS CA 1 32 CYS CB 1 32 CYS SG -180.00 0.00 -59.40 -59.30 -64.63 . . 0 "[ . 1 . 2 ]"
17 . 1 35 ILE N 1 35 ILE CA 1 35 ILE CB 1 35 ILE CG1 150.00 -150.00 -176.76 -177.06 -176.52 . . 0 "[ . 1 . 2 ]"
18 . 1 36 ILE N 1 36 ILE CA 1 36 ILE CB 1 36 ILE CG1 150.00 -150.00 -179.12 -179.12 -179.22 . . 0 "[ . 1 . 2 ]"
19 . 1 37 GLU N 1 37 GLU CA 1 37 GLU CB 1 37 GLU CG -90.00 -30.00 -69.63 -65.80 -66.29 . . 0 "[ . 1 . 2 ]"
20 . 1 38 GLU N 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 150.00 -150.00 -174.99 -175.03 -175.23 . . 0 "[ . 1 . 2 ]"
21 . 1 39 ASP N 1 39 ASP CA 1 39 ASP CB 1 39 ASP CG 30.00 90.00 60.12 60.08 60.01 . . 0 "[ . 1 . 2 ]"
22 . 1 41 GLN N 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG -90.00 -30.00 -71.11 -69.58 -69.72 . . 0 "[ . 1 . 2 ]"
23 . 1 44 THR N 1 44 THR CA 1 44 THR CB 1 44 THR OG1 30.00 -150.00 44.81 44.96 44.73 . . 0 "[ . 1 . 2 ]"
24 . 1 45 THR N 1 45 THR CA 1 45 THR CB 1 45 THR OG1 30.00 90.00 47.86 47.35 47.29 . . 0 "[ . 1 . 2 ]"
25 . 1 46 LEU N 1 46 LEU CA 1 46 LEU CB 1 46 LEU CG -90.00 -30.00 -74.75 -74.83 -78.59 . . 0 "[ . 1 . 2 ]"
26 . 1 48 SER N 1 48 SER CA 1 48 SER CB 1 48 SER OG 30.00 90.00 64.20 53.74 67.83 . . 0 "[ . 1 . 2 ]"
27 . 1 50 CYS N 1 50 CYS CA 1 50 CYS CB 1 50 CYS SG -90.00 -30.00 -85.71 -89.65 -29.97 0.03 15 0 "[ . 1 . 2 ]"
28 . 1 51 MET N 1 51 MET CA 1 51 MET CB 1 51 MET CG 150.00 -150.00 -166.55 -170.39 -153.47 . . 0 "[ . 1 . 2 ]"
29 . 1 52 LYS N 1 52 LYS CA 1 52 LYS CB 1 52 LYS CG 30.00 90.00 59.75 60.69 60.53 . . 0 "[ . 1 . 2 ]"
30 . 1 59 GLN N 1 59 GLN CA 1 59 GLN CB 1 59 GLN CG -90.00 -30.00 -72.61 -66.90 -77.03 . . 0 "[ . 1 . 2 ]"
31 . 1 71 THR N 1 71 THR CA 1 71 THR CB 1 71 THR OG1 -90.00 -30.00 -48.61 -50.87 -47.34 . . 0 "[ . 1 . 2 ]"
32 . 1 72 ILE N 1 72 ILE CA 1 72 ILE CB 1 72 ILE CG1 150.00 -150.00 -176.97 -176.87 -176.95 . . 0 "[ . 1 . 2 ]"
33 . 1 73 GLU N 1 73 GLU CA 1 73 GLU CB 1 73 GLU CG -90.00 -30.00 -70.47 -67.42 -67.43 . . 0 "[ . 1 . 2 ]"
34 . 1 75 CYS N 1 75 CYS CA 1 75 CYS CB 1 75 CYS SG 30.00 90.00 56.12 53.43 77.86 . . 0 "[ . 1 . 2 ]"
35 . 1 77 THR N 1 77 THR CA 1 77 THR CB 1 77 THR OG1 50.00 70.00 50.24 49.76 54.91 0.24 18 0 "[ . 1 . 2 ]"
36 . 1 78 ASN N 1 78 ASN CA 1 78 ASN CB 1 78 ASN CG 30.00 90.00 58.71 58.25 60.27 . . 0 "[ . 1 . 2 ]"
37 . 1 79 LEU N 1 79 LEU CA 1 79 LEU CB 1 79 LEU CG -90.00 -30.00 -61.03 -62.00 -62.57 . . 0 "[ . 1 . 2 ]"
38 . 1 80 CYS N 1 80 CYS CA 1 80 CYS CB 1 80 CYS SG 30.00 90.00 59.10 57.46 71.23 . . 0 "[ . 1 . 2 ]"
39 . 1 81 ASN N 1 81 ASN CA 1 81 ASN CB 1 81 ASN CG -90.00 -30.00 -89.18 -88.85 -89.55 0.17 13 0 "[ . 1 . 2 ]"
40 . 1 82 GLN N 1 82 GLN CA 1 82 GLN CB 1 82 GLN CG 150.00 -150.00 -169.61 -173.20 -168.76 . . 0 "[ . 1 . 2 ]"
41 . 1 83 TYR N 1 83 TYR CA 1 83 TYR CB 1 83 TYR CG -90.00 -30.00 -63.45 -63.16 -63.21 . . 0 "[ . 1 . 2 ]"
42 . 1 85 GLN N 1 85 GLN CA 1 85 GLN CB 1 85 GLN CG 150.00 -150.00 -164.64 -170.35 -155.78 . . 0 "[ . 1 . 2 ]"
43 . 1 87 THR N 1 87 THR CA 1 87 THR CB 1 87 THR OG1 30.00 90.00 53.06 51.75 55.72 . . 0 "[ . 1 . 2 ]"
44 . 1 88 LEU N 1 88 LEU CA 1 88 LEU CB 1 88 LEU CG -90.00 -30.00 -80.33 -84.12 -69.02 . . 0 "[ . 1 . 2 ]"
45 . 1 91 VAL N 1 91 VAL CA 1 91 VAL CB 1 91 VAL CG1 150.00 -150.00 -176.53 -178.75 -175.72 . . 0 "[ . 1 . 2 ]"
46 . 1 101 ILE N 1 101 ILE CA 1 101 ILE CB 1 101 ILE CG1 -90.00 -30.00 -58.97 -59.95 -56.88 . . 0 "[ . 1 . 2 ]"
47 . 1 102 ARG N 1 102 ARG CA 1 102 ARG CB 1 102 ARG CG 150.00 -150.00 -169.83 -170.27 -167.52 . . 0 "[ . 1 . 2 ]"
48 . 1 51 MET CA 1 51 MET CB 1 51 MET CG 1 51 MET SD 150.00 -150.00 -179.96 177.67 174.75 . . 0 "[ . 1 . 2 ]"
49 . 1 52 LYS CA 1 52 LYS CB 1 52 LYS CG 1 52 LYS CD 150.00 -150.00 166.65 172.57 172.16 0.13 16 0 "[ . 1 . 2 ]"
50 . 1 38 GLU CA 1 38 GLU CB 1 38 GLU CG 1 38 GLU CD -90.00 -30.00 -90.13 -90.11 -90.13 0.22 18 0 "[ . 1 . 2 ]"
51 . 1 22 ILE CA 1 22 ILE CB 1 22 ILE CG1 1 22 ILE CD1 150.00 -150.00 165.92 166.16 166.13 . . 0 "[ . 1 . 2 ]"
52 . 1 27 ILE CA 1 27 ILE CB 1 27 ILE CG1 1 27 ILE CD1 150.00 -150.00 165.53 165.27 165.82 . . 0 "[ . 1 . 2 ]"
53 . 1 35 ILE CA 1 35 ILE CB 1 35 ILE CG1 1 35 ILE CD1 150.00 -150.00 165.23 164.76 165.72 . . 0 "[ . 1 . 2 ]"
54 . 1 36 ILE CA 1 36 ILE CB 1 36 ILE CG1 1 36 ILE CD1 150.00 -150.00 163.82 164.79 164.69 . . 0 "[ . 1 . 2 ]"
55 . 1 72 ILE CA 1 72 ILE CB 1 72 ILE CG1 1 72 ILE CD1 150.00 -150.00 165.85 165.07 166.58 . . 0 "[ . 1 . 2 ]"
56 . 1 6 LEU CA 1 6 LEU CB 1 6 LEU CG 1 6 LEU CD1 150.00 -150.00 163.88 158.51 171.30 . . 0 "[ . 1 . 2 ]"
57 . 1 9 LEU CA 1 9 LEU CB 1 9 LEU CG 1 9 LEU CD1 30.00 90.00 72.55 72.10 70.25 . . 0 "[ . 1 . 2 ]"
58 . 1 79 LEU CA 1 79 LEU CB 1 79 LEU CG 1 79 LEU CD1 150.00 -150.00 168.96 169.80 161.30 . . 0 "[ . 1 . 2 ]"
59 . 1 88 LEU CA 1 88 LEU CB 1 88 LEU CG 1 88 LEU CD1 150.00 -150.00 160.95 158.36 165.86 . . 0 "[ . 1 . 2 ]"
60 . 1 2 PRO CA 1 2 PRO CB 1 2 PRO CG 1 2 PRO CD 40.00 50.00 39.37 39.35 39.34 0.73 6 0 "[ . 1 . 2 ]"
61 . 1 7 PRO CA 1 7 PRO CB 1 7 PRO CG 1 7 PRO CD 40.00 50.00 39.25 39.13 39.38 0.87 15 0 "[ . 1 . 2 ]"
62 . 1 64 PRO CA 1 64 PRO CB 1 64 PRO CG 1 64 PRO CD -50.00 -40.00 -39.37 -39.38 -39.42 0.83 21 0 "[ . 1 . 2 ]"
63 . 1 95 PRO CA 1 95 PRO CB 1 95 PRO CG 1 95 PRO CD 40.00 50.00 39.37 39.31 39.46 0.69 17 0 "[ . 1 . 2 ]"
64 . 1 5 THR C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -142.00 -64.00 -98.91 -81.02 -142.41 0.56 19 0 "[ . 1 . 2 ]"
65 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 PRO N 119.00 151.00 139.57 145.06 119.87 0.35 5 0 "[ . 1 . 2 ]"
66 . 1 9 LEU C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -146.00 -100.00 -99.81 -99.92 -99.97 0.33 15 0 "[ . 1 . 2 ]"
67 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 CYS N 115.00 159.00 130.37 129.08 119.07 . . 0 "[ . 1 . 2 ]"
68 . 1 10 LYS C 1 11 CYS N 1 11 CYS CA 1 11 CYS C -121.00 -75.00 -117.60 -118.97 -120.82 0.73 13 0 "[ . 1 . 2 ]"
69 . 1 11 CYS N 1 11 CYS CA 1 11 CYS C 1 12 TYR N 102.00 140.00 140.35 140.17 140.63 0.63 13 0 "[ . 1 . 2 ]"
70 . 1 11 CYS C 1 12 TYR N 1 12 TYR CA 1 12 TYR C -129.00 -69.00 -83.12 -87.49 -78.52 . . 0 "[ . 1 . 2 ]"
71 . 1 12 TYR N 1 12 TYR CA 1 12 TYR C 1 13 CYS N 127.00 173.00 144.69 140.76 155.44 . . 0 "[ . 1 . 2 ]"
72 . 1 12 TYR C 1 13 CYS N 1 13 CYS CA 1 13 CYS C -161.00 -103.00 -116.10 -117.64 -118.26 . . 0 "[ . 1 . 2 ]"
73 . 1 13 CYS N 1 13 CYS CA 1 13 CYS C 1 14 SER N 137.00 173.00 138.54 136.92 157.77 0.08 7 0 "[ . 1 . 2 ]"
74 . 1 13 CYS C 1 14 SER N 1 14 SER CA 1 14 SER C -123.00 -53.00 -120.60 -123.07 -65.65 0.07 20 0 "[ . 1 . 2 ]"
75 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 GLY N 116.00 162.00 137.50 117.58 162.99 0.99 8 0 "[ . 1 . 2 ]"
76 . 1 15 GLY C 1 16 HIS N 1 16 HIS CA 1 16 HIS C -124.00 -74.00 -110.88 -106.54 -109.20 . . 0 "[ . 1 . 2 ]"
77 . 1 16 HIS N 1 16 HIS CA 1 16 HIS C 1 17 CYS N 112.00 150.00 121.82 111.80 129.59 0.20 8 0 "[ . 1 . 2 ]"
78 . 1 16 HIS C 1 17 CYS N 1 17 CYS CA 1 17 CYS C -138.00 -68.00 -138.07 -138.08 -138.09 0.32 8 0 "[ . 1 . 2 ]"
79 . 1 17 CYS N 1 17 CYS CA 1 17 CYS C 1 18 PRO N 87.00 165.00 137.17 135.72 147.70 . . 0 "[ . 1 . 2 ]"
80 . 1 17 CYS C 1 18 PRO N 1 18 PRO CA 1 18 PRO C -71.00 -47.00 -60.69 -61.75 -63.80 . . 0 "[ . 1 . 2 ]"
81 . 1 18 PRO N 1 18 PRO CA 1 18 PRO C 1 19 ASP N 126.00 156.00 152.27 151.77 151.62 . . 0 "[ . 1 . 2 ]"
82 . 1 18 PRO C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -74.00 -44.00 -60.19 -60.67 -59.15 . . 0 "[ . 1 . 2 ]"
83 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 ASP N -46.00 -4.00 -27.85 -31.24 -21.86 . . 0 "[ . 1 . 2 ]"
84 . 1 19 ASP C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -108.00 -72.00 -92.29 -92.32 -96.70 . . 0 "[ . 1 . 2 ]"
85 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 ALA N -12.00 14.00 14.29 14.23 14.17 0.39 7 0 "[ . 1 . 2 ]"
86 . 1 20 ASP C 1 21 ALA N 1 21 ALA CA 1 21 ALA C -86.00 -60.00 -79.00 -79.92 -82.67 0.01 8 0 "[ . 1 . 2 ]"
87 . 1 21 ALA N 1 21 ALA CA 1 21 ALA C 1 22 ILE N 110.00 162.00 161.87 160.66 162.14 0.14 8 0 "[ . 1 . 2 ]"
88 . 1 21 ALA C 1 22 ILE N 1 22 ILE CA 1 22 ILE C -126.00 -90.00 -125.10 -124.92 -125.29 0.08 21 0 "[ . 1 . 2 ]"
89 . 1 22 ILE N 1 22 ILE CA 1 22 ILE C 1 23 ASN N 116.00 152.00 138.62 135.89 142.39 . . 0 "[ . 1 . 2 ]"
90 . 1 23 ASN C 1 24 ASN N 1 24 ASN CA 1 24 ASN C 42.00 64.00 55.34 55.32 55.16 . . 0 "[ . 1 . 2 ]"
91 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 THR N 26.00 64.00 42.56 43.34 43.08 . . 0 "[ . 1 . 2 ]"
92 . 1 24 ASN C 1 25 THR N 1 25 THR CA 1 25 THR C -155.00 -109.00 -141.03 -144.38 -137.68 . . 0 "[ . 1 . 2 ]"
93 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 CYS N 139.00 179.00 161.26 161.02 160.87 . . 0 "[ . 1 . 2 ]"
94 . 1 25 THR C 1 26 CYS N 1 26 CYS CA 1 26 CYS C -154.00 -116.00 -138.50 -145.82 -120.65 . . 0 "[ . 1 . 2 ]"
95 . 1 26 CYS N 1 26 CYS CA 1 26 CYS C 1 27 ILE N 119.00 165.00 163.72 163.31 162.91 0.82 15 0 "[ . 1 . 2 ]"
96 . 1 26 CYS C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -141.00 -95.00 -113.51 -117.01 -123.58 . . 0 "[ . 1 . 2 ]"
97 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 THR N 112.00 150.00 131.33 131.63 125.91 . . 0 "[ . 1 . 2 ]"
98 . 1 27 ILE C 1 28 THR N 1 28 THR CA 1 28 THR C -166.00 -106.00 -140.94 -139.77 -140.07 . . 0 "[ . 1 . 2 ]"
99 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 ASN N 121.00 175.00 153.70 150.87 159.21 . . 0 "[ . 1 . 2 ]"
100 . 1 30 GLY C 1 31 HIS N 1 31 HIS CA 1 31 HIS C -153.00 -77.00 -146.10 -150.75 -136.74 . . 0 "[ . 1 . 2 ]"
101 . 1 31 HIS N 1 31 HIS CA 1 31 HIS C 1 32 CYS N 134.00 172.00 170.40 169.75 158.88 0.21 4 0 "[ . 1 . 2 ]"
102 . 1 31 HIS C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -118.00 -84.00 -94.02 -97.68 -99.11 . . 0 "[ . 1 . 2 ]"
103 . 1 32 CYS N 1 32 CYS CA 1 32 CYS C 1 33 PHE N 111.00 139.00 139.19 139.00 139.43 0.43 1 0 "[ . 1 . 2 ]"
104 . 1 32 CYS C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -158.00 -118.00 -130.06 -135.47 -127.92 . . 0 "[ . 1 . 2 ]"
105 . 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 ALA N 136.00 178.00 151.56 146.44 158.36 . . 0 "[ . 1 . 2 ]"
106 . 1 33 PHE C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -158.00 -124.00 -151.28 -152.91 -147.61 . . 0 "[ . 1 . 2 ]"
107 . 1 34 ALA N 1 34 ALA CA 1 34 ALA C 1 35 ILE N 110.00 154.00 142.74 136.01 150.66 . . 0 "[ . 1 . 2 ]"
108 . 1 34 ALA C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -147.00 -115.00 -142.39 -142.24 -142.44 . . 0 "[ . 1 . 2 ]"
109 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 ILE N 123.00 149.00 149.19 149.19 149.18 0.33 10 0 "[ . 1 . 2 ]"
110 . 1 35 ILE C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -149.00 -107.00 -136.85 -140.80 -132.36 . . 0 "[ . 1 . 2 ]"
111 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 GLU N 119.00 145.00 144.00 145.32 145.26 0.40 2 0 "[ . 1 . 2 ]"
112 . 1 36 ILE C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -150.00 -102.00 -146.97 -148.71 -149.48 0.25 19 0 "[ . 1 . 2 ]"
113 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 GLU N 117.00 149.00 143.97 138.44 148.49 . . 0 "[ . 1 . 2 ]"
114 . 1 37 GLU C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -152.00 -102.00 -101.65 -101.64 -101.67 0.51 9 0 "[ . 1 . 2 ]"
115 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ASP N 115.00 153.00 117.10 115.78 118.22 . . 0 "[ . 1 . 2 ]"
116 . 1 38 GLU C 1 39 ASP N 1 39 ASP CA 1 39 ASP C -91.00 -65.00 -87.00 -87.98 -85.34 . . 0 "[ . 1 . 2 ]"
117 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 ASP N 125.00 175.00 175.27 175.18 175.36 0.36 5 0 "[ . 1 . 2 ]"
118 . 1 39 ASP C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -81.00 -47.00 -60.49 -60.84 -60.13 . . 0 "[ . 1 . 2 ]"
119 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 GLN N -50.00 12.00 -17.52 -17.24 -17.27 . . 0 "[ . 1 . 2 ]"
120 . 1 40 ASP C 1 41 GLN N 1 41 GLN CA 1 41 GLN C -109.00 -77.00 -92.65 -92.48 -92.49 . . 0 "[ . 1 . 2 ]"
121 . 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 GLY N -23.00 13.00 -11.00 -12.01 -9.48 . . 0 "[ . 1 . 2 ]"
122 . 1 41 GLN C 1 42 GLY N 1 42 GLY CA 1 42 GLY C 73.00 101.00 90.48 91.02 90.90 . . 0 "[ . 1 . 2 ]"
123 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 GLU N -1.00 21.00 20.62 21.09 21.06 0.20 5 0 "[ . 1 . 2 ]"
124 . 1 42 GLY C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -102.00 -60.00 -97.06 -97.32 -97.37 . . 0 "[ . 1 . 2 ]"
125 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 THR N 123.00 157.00 143.32 139.06 149.72 . . 0 "[ . 1 . 2 ]"
126 . 1 43 GLU C 1 44 THR N 1 44 THR CA 1 44 THR C -143.00 -95.00 -94.87 -94.96 -94.72 0.28 14 0 "[ . 1 . 2 ]"
127 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 THR N 121.00 157.00 127.49 124.32 134.97 . . 0 "[ . 1 . 2 ]"
128 . 1 44 THR C 1 45 THR N 1 45 THR CA 1 45 THR C -144.00 -98.00 -98.14 -102.15 -97.82 0.18 5 0 "[ . 1 . 2 ]"
129 . 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 LEU N 113.00 149.00 114.73 110.50 122.68 2.50 7 0 "[ . 1 . 2 ]"
130 . 1 45 THR C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -151.00 -91.00 -97.68 -99.61 -96.66 . . 0 "[ . 1 . 2 ]"
131 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 ALA N 122.00 160.00 127.22 123.98 122.31 0.02 1 0 "[ . 1 . 2 ]"
132 . 1 46 LEU C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -168.00 -112.00 -146.05 -150.52 -142.79 . . 0 "[ . 1 . 2 ]"
133 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 SER N 135.00 169.00 146.09 143.41 155.66 . . 0 "[ . 1 . 2 ]"
134 . 1 47 ALA C 1 48 SER N 1 48 SER CA 1 48 SER C -143.00 -81.00 -143.68 -143.85 -143.51 0.85 12 0 "[ . 1 . 2 ]"
135 . 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 GLY N 125.00 167.00 166.35 166.18 165.85 0.10 6 0 "[ . 1 . 2 ]"
136 . 1 49 GLY C 1 50 CYS N 1 50 CYS CA 1 50 CYS C -113.00 -53.00 -97.90 -97.40 -98.87 0.09 15 0 "[ . 1 . 2 ]"
137 . 1 50 CYS N 1 50 CYS CA 1 50 CYS C 1 51 MET N 116.00 148.00 131.87 115.71 133.83 0.29 15 0 "[ . 1 . 2 ]"
138 . 1 50 CYS C 1 51 MET N 1 51 MET CA 1 51 MET C -145.00 -93.00 -99.92 -105.05 -95.88 . . 0 "[ . 1 . 2 ]"
139 . 1 51 MET N 1 51 MET CA 1 51 MET C 1 52 LYS N 122.00 164.00 123.52 121.66 133.66 0.34 18 0 "[ . 1 . 2 ]"
140 . 1 51 MET C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -97.00 -61.00 -66.64 -69.85 -64.96 . . 0 "[ . 1 . 2 ]"
141 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 TYR N 112.00 172.00 166.26 152.40 172.14 0.14 6 0 "[ . 1 . 2 ]"
142 . 1 68 LEU C 1 69 ARG N 1 69 ARG CA 1 69 ARG C -131.00 -69.00 -76.32 -77.55 -87.06 2.56 2 0 "[ . 1 . 2 ]"
143 . 1 69 ARG N 1 69 ARG CA 1 69 ARG C 1 70 ARG N 112.00 172.00 130.65 146.35 138.63 . . 0 "[ . 1 . 2 ]"
144 . 1 69 ARG C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -161.00 -101.00 -161.46 -161.39 -161.41 0.57 20 0 "[ . 1 . 2 ]"
145 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 THR N 123.00 165.00 163.49 165.41 165.38 0.42 12 0 "[ . 1 . 2 ]"
146 . 1 70 ARG C 1 71 THR N 1 71 THR CA 1 71 THR C -134.00 -96.00 -128.76 -126.81 -128.48 0.26 13 0 "[ . 1 . 2 ]"
147 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 ILE N 117.00 149.00 148.89 146.43 149.43 0.43 20 0 "[ . 1 . 2 ]"
148 . 1 71 THR C 1 72 ILE N 1 72 ILE CA 1 72 ILE C -143.00 -107.00 -143.05 -143.27 -141.75 0.27 19 0 "[ . 1 . 2 ]"
149 . 1 72 ILE N 1 72 ILE CA 1 72 ILE C 1 73 GLU N 118.00 156.00 152.40 155.98 155.96 0.14 18 0 "[ . 1 . 2 ]"
150 . 1 72 ILE C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -160.00 -106.00 -141.26 -146.85 -147.26 0.19 11 0 "[ . 1 . 2 ]"
151 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 CYS N 126.00 162.00 149.45 125.90 156.64 0.10 21 0 "[ . 1 . 2 ]"
152 . 1 73 GLU C 1 74 CYS N 1 74 CYS CA 1 74 CYS C -143.00 -97.00 -141.17 -143.15 -104.90 0.15 19 0 "[ . 1 . 2 ]"
153 . 1 74 CYS N 1 74 CYS CA 1 74 CYS C 1 75 CYS N 117.00 163.00 145.98 134.63 163.16 0.16 19 0 "[ . 1 . 2 ]"
154 . 1 74 CYS C 1 75 CYS N 1 75 CYS CA 1 75 CYS C -157.00 -103.00 -157.54 -157.55 -157.55 0.76 21 0 "[ . 1 . 2 ]"
155 . 1 75 CYS N 1 75 CYS CA 1 75 CYS C 1 76 ARG N 126.00 164.00 134.93 128.82 150.99 . . 0 "[ . 1 . 2 ]"
156 . 1 79 LEU C 1 80 CYS N 1 80 CYS CA 1 80 CYS C -88.00 -56.00 -63.20 -63.22 -67.84 . . 0 "[ . 1 . 2 ]"
157 . 1 80 CYS N 1 80 CYS CA 1 80 CYS C 1 81 ASN N -50.00 -22.00 -23.55 -24.16 -24.84 0.09 7 0 "[ . 1 . 2 ]"
158 . 1 80 CYS C 1 81 ASN N 1 81 ASN CA 1 81 ASN C -96.00 -56.00 -83.54 -77.39 -81.05 . . 0 "[ . 1 . 2 ]"
159 . 1 81 ASN N 1 81 ASN CA 1 81 ASN C 1 82 GLN N -59.00 -23.00 -26.38 -30.33 -33.28 0.19 20 0 "[ . 1 . 2 ]"
160 . 1 82 GLN C 1 83 TYR N 1 83 TYR CA 1 83 TYR C -129.00 -83.00 -100.64 -100.83 -101.34 . . 0 "[ . 1 . 2 ]"
161 . 1 83 TYR N 1 83 TYR CA 1 83 TYR C 1 84 LEU N -4.00 16.00 16.22 16.11 16.32 0.32 7 0 "[ . 1 . 2 ]"
162 . 1 83 TYR C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -144.00 -82.00 -114.84 -117.99 -125.84 . . 0 "[ . 1 . 2 ]"
163 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLN N 109.00 129.00 111.26 108.98 108.95 0.11 4 0 "[ . 1 . 2 ]"
164 . 1 84 LEU C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -118.00 -70.00 -97.45 -97.90 -98.15 . . 0 "[ . 1 . 2 ]"
165 . 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 PRO N 121.00 161.00 120.77 120.63 120.93 0.37 19 0 "[ . 1 . 2 ]"
166 . 1 85 GLN C 1 86 PRO N 1 86 PRO CA 1 86 PRO C -76.00 -52.00 -70.41 -73.70 -67.91 . . 0 "[ . 1 . 2 ]"
167 . 1 86 PRO N 1 86 PRO CA 1 86 PRO C 1 87 THR N 134.00 164.00 140.35 140.06 139.33 0.11 15 0 "[ . 1 . 2 ]"
168 . 1 86 PRO C 1 87 THR N 1 87 THR CA 1 87 THR C -139.00 -85.00 -137.41 -139.22 -139.24 0.31 5 0 "[ . 1 . 2 ]"
169 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 LEU N 104.00 150.00 146.28 125.32 150.11 0.11 1 0 "[ . 1 . 2 ]"
170 . 1 87 THR C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -134.00 -70.00 -71.80 -73.21 -70.30 . . 0 "[ . 1 . 2 ]"
171 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 PRO N 109.00 155.00 148.56 154.97 153.28 0.15 18 0 "[ . 1 . 2 ]"
172 . 1 88 LEU C 1 89 PRO N 1 89 PRO CA 1 89 PRO C -76.00 -50.00 -67.14 -64.82 -67.87 . . 0 "[ . 1 . 2 ]"
173 . 1 89 PRO N 1 89 PRO CA 1 89 PRO C 1 90 PRO N 133.00 163.00 152.11 152.61 150.64 0.05 21 0 "[ . 1 . 2 ]"
174 . 1 89 PRO C 1 90 PRO N 1 90 PRO CA 1 90 PRO C -113.00 -47.00 -67.29 -68.39 -68.61 . . 0 "[ . 1 . 2 ]"
175 . 1 90 PRO N 1 90 PRO CA 1 90 PRO C 1 91 VAL N 122.00 170.00 146.02 121.95 169.77 0.05 21 0 "[ . 1 . 2 ]"
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