NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368824 |
1ayj   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1ayj
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 139
_TA_constraint_stats_list.Viol_count 509
_TA_constraint_stats_list.Viol_total 33169.21
_TA_constraint_stats_list.Viol_max 69.72
_TA_constraint_stats_list.Viol_rms 4.63
_TA_constraint_stats_list.Viol_average_all_restraints 0.60
_TA_constraint_stats_list.Viol_average_violations_only 3.26
_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 1 PCA CA 1 1 PCA C 1 2 LYS N 1 2 LYS CA 170.00 -170.00 174.40 176.73 175.04 1.33 10 0 "[ . 1 . 2]"
2 . 1 1 PCA C 1 2 LYS N 1 2 LYS CA 1 2 LYS C -90.00 -30.00 -63.28 -90.04 -47.98 0.04 5 0 "[ . 1 . 2]"
3 . 1 2 LYS N 1 2 LYS CA 1 2 LYS C 1 3 LEU N 70.00 170.00 123.76 71.80 69.76 0.99 9 0 "[ . 1 . 2]"
4 . 1 2 LYS CA 1 2 LYS C 1 3 LEU N 1 3 LEU CA 170.00 -170.00 -179.19 169.21 -168.93 1.07 3 0 "[ . 1 . 2]"
5 . 1 2 LYS C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -135.00 -55.00 -73.00 -109.66 -53.91 1.09 7 0 "[ . 1 . 2]"
6 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 CYS N 135.00 -105.00 157.33 149.31 147.18 . . 0 "[ . 1 . 2]"
7 . 1 3 LEU N 1 3 LEU CA 1 3 LEU CB 1 3 LEU CG -80.00 -20.00 -60.48 -59.28 -60.44 . . 0 "[ . 1 . 2]"
8 . 1 3 LEU CA 1 3 LEU C 1 4 CYS N 1 4 CYS CA 170.00 -170.00 170.22 167.31 179.99 2.69 8 0 "[ . 1 . 2]"
9 . 1 3 LEU C 1 4 CYS N 1 4 CYS CA 1 4 CYS C -140.00 -80.00 -119.28 -100.82 -113.41 . . 0 "[ . 1 . 2]"
10 . 1 4 CYS N 1 4 CYS CA 1 4 CYS C 1 5 GLU N 65.00 165.00 129.32 124.52 122.83 . . 0 "[ . 1 . 2]"
11 . 1 4 CYS CA 1 4 CYS C 1 5 GLU N 1 5 GLU CA 170.00 -170.00 -177.85 169.98 -169.67 0.33 1 0 "[ . 1 . 2]"
12 . 1 4 CYS C 1 5 GLU N 1 5 GLU CA 1 5 GLU C 35.00 -65.00 -85.03 -80.44 -83.19 . . 0 "[ . 1 . 2]"
13 . 1 5 GLU CA 1 5 GLU C 1 6 ARG N 1 6 ARG CA 170.00 -170.00 175.09 167.88 -168.64 2.12 13 0 "[ . 1 . 2]"
14 . 1 5 GLU N 1 5 GLU CA 1 5 GLU C 1 6 ARG N -105.00 -135.00 113.50 86.59 74.16 . . 0 "[ . 1 . 2]"
15 . 1 5 GLU N 1 5 GLU CA 1 5 GLU CB 1 5 GLU CG -5.00 -35.00 -40.66 -71.14 78.45 0.04 8 0 "[ . 1 . 2]"
16 . 1 5 GLU C 1 6 ARG N 1 6 ARG CA 1 6 ARG C -135.00 75.00 -106.52 -136.26 -59.82 1.26 8 0 "[ . 1 . 2]"
17 . 1 6 ARG CA 1 6 ARG C 1 7 PRO N 1 7 PRO CA 170.00 -170.00 171.26 168.85 167.52 4.29 20 0 "[ . 1 . 2]"
18 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 PRO N -105.00 -135.00 125.22 87.62 157.68 . . 0 "[ . 1 . 2]"
19 . 1 7 PRO CA 1 7 PRO C 1 8 SER N 1 8 SER CA 170.00 -170.00 -178.71 170.32 -166.12 3.88 18 0 "[ . 1 . 2]"
20 . 1 7 PRO C 1 8 SER N 1 8 SER CA 1 8 SER C -85.00 -25.00 -60.05 -84.01 -24.65 0.35 8 0 "[ . 1 . 2]"
21 . 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 GLY N 85.00 -5.00 98.29 -83.01 163.77 3.00 14 0 "[ . 1 . 2]"
22 . 1 8 SER CA 1 8 SER C 1 9 GLY N 1 9 GLY CA 170.00 -170.00 177.54 169.07 -169.45 0.93 9 0 "[ . 1 . 2]"
23 . 1 9 GLY CA 1 9 GLY C 1 10 THR N 1 10 THR CA 170.00 -170.00 171.96 168.51 -175.66 1.49 13 0 "[ . 1 . 2]"
24 . 1 9 GLY C 1 10 THR N 1 10 THR CA 1 10 THR C -155.00 -85.00 -102.07 -156.42 -82.32 2.68 17 0 "[ . 1 . 2]"
25 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 TRP N -105.00 -135.00 -68.10 -68.45 -69.91 . . 0 "[ . 1 . 2]"
26 . 1 10 THR CA 1 10 THR C 1 11 TRP N 1 11 TRP CA 170.00 -170.00 -179.13 166.50 -169.07 3.50 7 0 "[ . 1 . 2]"
27 . 1 10 THR C 1 11 TRP N 1 11 TRP CA 1 11 TRP C -125.00 -65.00 -73.83 -68.85 -72.56 0.57 4 0 "[ . 1 . 2]"
28 . 1 11 TRP CA 1 11 TRP C 1 12 SER N 1 12 SER CA 170.00 -170.00 -175.54 -174.62 -175.77 0.51 11 0 "[ . 1 . 2]"
29 . 1 11 TRP N 1 11 TRP CA 1 11 TRP C 1 12 SER N -105.00 -135.00 81.93 73.02 71.01 . . 0 "[ . 1 . 2]"
30 . 1 11 TRP N 1 11 TRP CA 1 11 TRP CB 1 11 TRP CG 160.00 -140.00 -166.41 178.07 -154.92 . . 0 "[ . 1 . 2]"
31 . 1 11 TRP C 1 12 SER N 1 12 SER CA 1 12 SER C -150.00 -90.00 -90.79 -114.15 -86.96 3.04 15 0 "[ . 1 . 2]"
32 . 1 12 SER CA 1 12 SER C 1 13 GLY N 1 13 GLY CA 170.00 -170.00 -178.82 -173.67 -174.41 0.28 4 0 "[ . 1 . 2]"
33 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 GLY N -105.00 -135.00 58.29 -27.50 117.57 . . 0 "[ . 1 . 2]"
34 . 1 13 GLY CA 1 13 GLY C 1 14 VAL N 1 14 VAL CA 170.00 -170.00 179.06 174.51 -170.17 . . 0 "[ . 1 . 2]"
35 . 1 13 GLY C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -145.00 -55.00 -62.04 -59.15 -60.35 . . 0 "[ . 1 . 2]"
36 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 CYS N 115.00 -125.00 135.40 122.91 149.09 . . 0 "[ . 1 . 2]"
37 . 1 14 VAL N 1 14 VAL CA 1 14 VAL CB 1 14 VAL CG2 130.00 -110.00 -55.68 -54.91 -55.80 69.72 4 20 [***+***********-****]
38 . 1 14 VAL CA 1 14 VAL C 1 15 CYS N 1 15 CYS CA 170.00 -170.00 -171.60 -169.34 -169.59 1.96 5 0 "[ . 1 . 2]"
39 . 1 14 VAL C 1 15 CYS N 1 15 CYS CA 1 15 CYS C -165.00 -75.00 -86.18 -85.93 -92.34 2.29 8 0 "[ . 1 . 2]"
40 . 1 15 CYS N 1 15 CYS CA 1 15 CYS C 1 16 GLY N 115.00 25.00 -39.27 -38.13 -49.02 . . 0 "[ . 1 . 2]"
41 . 1 15 CYS CA 1 15 CYS C 1 16 GLY N 1 16 GLY CA 170.00 -170.00 -173.22 -178.99 -168.89 1.11 19 0 "[ . 1 . 2]"
42 . 1 15 CYS N 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG 45.00 115.00 82.52 82.39 61.37 0.39 4 0 "[ . 1 . 2]"
43 . 1 16 GLY C 1 17 ASN N 1 17 ASN CA 1 17 ASN C 45.00 -75.00 -153.76 -173.47 -75.43 . . 0 "[ . 1 . 2]"
44 . 1 16 GLY CA 1 16 GLY C 1 17 ASN N 1 17 ASN CA 170.00 -170.00 -170.69 -171.00 179.74 1.65 15 0 "[ . 1 . 2]"
45 . 1 17 ASN N 1 17 ASN CA 1 17 ASN C 1 18 ASN N -105.00 -135.00 127.58 125.59 115.79 . . 0 "[ . 1 . 2]"
46 . 1 17 ASN N 1 17 ASN CA 1 17 ASN CB 1 17 ASN CG 95.00 -135.00 178.47 171.11 -167.77 . . 0 "[ . 1 . 2]"
47 . 1 17 ASN CA 1 17 ASN C 1 18 ASN N 1 18 ASN CA 170.00 -170.00 178.64 172.70 -176.39 . . 0 "[ . 1 . 2]"
48 . 1 17 ASN C 1 18 ASN N 1 18 ASN CA 1 18 ASN C -95.00 -35.00 -51.15 -58.18 -60.87 0.08 14 0 "[ . 1 . 2]"
49 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 ASN N -125.00 -25.00 -60.36 -63.52 -52.80 . . 0 "[ . 1 . 2]"
50 . 1 18 ASN CA 1 18 ASN C 1 19 ASN N 1 19 ASN CA 170.00 -170.00 -176.82 174.89 -168.56 1.44 18 0 "[ . 1 . 2]"
51 . 1 18 ASN C 1 19 ASN N 1 19 ASN CA 1 19 ASN C -95.00 -35.00 -55.35 -65.29 -47.21 . . 0 "[ . 1 . 2]"
52 . 1 19 ASN N 1 19 ASN CA 1 19 ASN C 1 20 ALA N -100.00 0.00 -47.55 -45.05 -46.96 . . 0 "[ . 1 . 2]"
53 . 1 19 ASN CA 1 19 ASN C 1 20 ALA N 1 20 ALA CA 170.00 -170.00 177.78 174.61 -176.07 . . 0 "[ . 1 . 2]"
54 . 1 20 ALA C 1 21 CYS N 1 21 CYS CA 1 21 CYS C -125.00 -45.00 -50.69 -54.19 -47.76 . . 0 "[ . 1 . 2]"
55 . 1 20 ALA CA 1 20 ALA C 1 21 CYS N 1 21 CYS CA 170.00 -170.00 178.73 176.54 -178.64 . . 0 "[ . 1 . 2]"
56 . 1 21 CYS N 1 21 CYS CA 1 21 CYS C 1 22 LYS N -115.00 5.00 -54.27 -55.23 -56.14 . . 0 "[ . 1 . 2]"
57 . 1 21 CYS N 1 21 CYS CA 1 21 CYS CB 1 21 CYS SG 100.00 -140.00 156.79 145.08 167.12 . . 0 "[ . 1 . 2]"
58 . 1 21 CYS CA 1 21 CYS C 1 22 LYS N 1 22 LYS CA 170.00 -170.00 178.00 176.08 172.90 . . 0 "[ . 1 . 2]"
59 . 1 21 CYS C 1 22 LYS N 1 22 LYS CA 1 22 LYS C 35.00 -35.00 -50.08 -63.68 -47.24 . . 0 "[ . 1 . 2]"
60 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ASN N -105.00 -135.00 -62.28 -66.30 -41.87 . . 0 "[ . 1 . 2]"
61 . 1 22 LYS CA 1 22 LYS C 1 23 ASN N 1 23 ASN CA 170.00 -170.00 -177.35 174.18 -173.31 . . 0 "[ . 1 . 2]"
62 . 1 22 LYS C 1 23 ASN N 1 23 ASN CA 1 23 ASN C -90.00 -30.00 -52.87 -52.02 -52.61 . . 0 "[ . 1 . 2]"
63 . 1 23 ASN N 1 23 ASN CA 1 23 ASN C 1 24 GLN N -175.00 -25.00 -63.82 -66.91 -68.79 . . 0 "[ . 1 . 2]"
64 . 1 23 ASN CA 1 23 ASN C 1 24 GLN N 1 24 GLN CA 170.00 -170.00 -176.94 179.49 178.71 . . 0 "[ . 1 . 2]"
65 . 1 23 ASN C 1 24 GLN N 1 24 GLN CA 1 24 GLN C 145.00 -35.00 -49.26 -53.96 -42.00 . . 0 "[ . 1 . 2]"
66 . 1 24 GLN N 1 24 GLN CA 1 24 GLN C 1 25 CYS N -115.00 5.00 -46.55 -48.90 -49.28 . . 0 "[ . 1 . 2]"
67 . 1 24 GLN C 1 25 CYS N 1 25 CYS CA 1 25 CYS C -110.00 -30.00 -55.82 -60.00 -48.77 . . 0 "[ . 1 . 2]"
68 . 1 24 GLN CA 1 24 GLN C 1 25 CYS N 1 25 CYS CA 170.00 -170.00 178.03 171.93 -176.49 . . 0 "[ . 1 . 2]"
69 . 1 25 CYS N 1 25 CYS CA 1 25 CYS C 1 26 ILE N 175.00 -55.00 -63.10 -68.45 -56.36 . . 0 "[ . 1 . 2]"
70 . 1 25 CYS N 1 25 CYS CA 1 25 CYS CB 1 25 CYS SG 150.00 -150.00 -178.79 159.00 -165.37 . . 0 "[ . 1 . 2]"
71 . 1 25 CYS C 1 26 ILE N 1 26 ILE CA 1 26 ILE C 25.00 -25.00 -73.67 -75.39 -77.22 . . 0 "[ . 1 . 2]"
72 . 1 25 CYS CA 1 25 CYS C 1 26 ILE N 1 26 ILE CA 170.00 -170.00 -170.65 -170.05 -170.25 0.96 7 0 "[ . 1 . 2]"
73 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 ASN N -15.00 -125.00 -15.46 -16.67 -11.92 1.67 4 0 "[ . 1 . 2]"
74 . 1 26 ILE CA 1 26 ILE C 1 27 ASN N 1 27 ASN CA 170.00 -170.00 178.40 175.50 -178.96 . . 0 "[ . 1 . 2]"
75 . 1 26 ILE C 1 27 ASN N 1 27 ASN CA 1 27 ASN C -155.00 45.00 -81.22 -86.46 -76.93 . . 0 "[ . 1 . 2]"
76 . 1 27 ASN N 1 27 ASN CA 1 27 ASN C 1 28 LEU N -105.00 -135.00 -57.68 -63.65 -52.51 . . 0 "[ . 1 . 2]"
77 . 1 27 ASN CA 1 27 ASN C 1 28 LEU N 1 28 LEU CA 170.00 -170.00 179.76 176.08 174.65 . . 0 "[ . 1 . 2]"
78 . 1 27 ASN C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -150.00 -70.00 -70.72 -73.47 -75.01 0.39 13 0 "[ . 1 . 2]"
79 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 GLU N -110.00 10.00 -64.08 -70.14 -71.61 . . 0 "[ . 1 . 2]"
80 . 1 28 LEU C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -150.00 -90.00 -90.30 -105.69 -86.24 3.76 1 0 "[ . 1 . 2]"
81 . 1 28 LEU CA 1 28 LEU C 1 29 GLU N 1 29 GLU CA 170.00 -170.00 174.95 168.92 -177.63 1.08 13 0 "[ . 1 . 2]"
82 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 LYS N -105.00 -135.00 176.87 164.39 -174.95 . . 0 "[ . 1 . 2]"
83 . 1 29 GLU N 1 29 GLU CA 1 29 GLU CB 1 29 GLU CG 35.00 95.00 57.83 58.56 58.52 . . 0 "[ . 1 . 2]"
84 . 1 29 GLU C 1 30 LYS N 1 30 LYS CA 1 30 LYS C 165.00 -45.00 -106.50 -110.22 -113.68 . . 0 "[ . 1 . 2]"
85 . 1 29 GLU CA 1 29 GLU C 1 30 LYS N 1 30 LYS CA 170.00 -170.00 -168.71 -173.40 -166.82 3.18 4 0 "[ . 1 . 2]"
86 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 ALA N -130.00 10.00 13.45 11.13 16.73 6.73 4 2 "[ +. 1 - . 2]"
87 . 1 30 LYS CA 1 30 LYS C 1 31 ALA N 1 31 ALA CA 170.00 -170.00 169.61 168.06 178.03 1.94 8 0 "[ . 1 . 2]"
88 . 1 31 ALA CA 1 31 ALA C 1 32 ARG N 1 32 ARG CA 170.00 -170.00 -174.58 -170.21 -172.77 1.00 19 0 "[ . 1 . 2]"
89 . 1 31 ALA C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -165.00 -75.00 -92.54 -132.35 -82.75 . . 0 "[ . 1 . 2]"
90 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 HIS N -95.00 5.00 -63.09 -69.61 -72.89 . . 0 "[ . 1 . 2]"
91 . 1 32 ARG C 1 33 HIS N 1 33 HIS CA 1 33 HIS C -105.00 95.00 -107.75 -107.46 -107.58 3.85 4 0 "[ . 1 . 2]"
92 . 1 32 ARG CA 1 32 ARG C 1 33 HIS N 1 33 HIS CA 170.00 -170.00 170.86 167.70 179.39 2.30 4 0 "[ . 1 . 2]"
93 . 1 33 HIS N 1 33 HIS CA 1 33 HIS C 1 34 GLY N 135.00 -45.00 162.12 141.28 172.41 . . 0 "[ . 1 . 2]"
94 . 1 33 HIS CA 1 33 HIS C 1 34 GLY N 1 34 GLY CA 170.00 -170.00 170.07 172.30 169.97 1.33 3 0 "[ . 1 . 2]"
95 . 1 34 GLY CA 1 34 GLY C 1 35 SER N 1 35 SER CA 170.00 -170.00 -175.07 179.37 -169.53 0.47 14 0 "[ . 1 . 2]"
96 . 1 34 GLY C 1 35 SER N 1 35 SER CA 1 35 SER C 35.00 -55.00 -171.72 -179.60 -166.45 . . 0 "[ . 1 . 2]"
97 . 1 35 SER CA 1 35 SER C 1 36 CYS N 1 36 CYS CA 170.00 -170.00 175.74 168.54 -170.22 1.46 10 0 "[ . 1 . 2]"
98 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 CYS N -105.00 -135.00 141.74 98.78 177.21 . . 0 "[ . 1 . 2]"
99 . 1 35 SER C 1 36 CYS N 1 36 CYS CA 1 36 CYS C -165.00 -75.00 -84.44 -82.17 -84.14 2.23 19 0 "[ . 1 . 2]"
100 . 1 36 CYS N 1 36 CYS CA 1 36 CYS C 1 37 ASN N 45.00 -165.00 126.98 122.69 94.83 . . 0 "[ . 1 . 2]"
101 . 1 36 CYS CA 1 36 CYS C 1 37 ASN N 1 37 ASN CA 170.00 -170.00 175.80 168.77 -172.70 1.23 10 0 "[ . 1 . 2]"
102 . 1 36 CYS N 1 36 CYS CA 1 36 CYS CB 1 36 CYS SG 165.00 -45.00 -173.44 -179.51 179.88 0.94 7 0 "[ . 1 . 2]"
103 . 1 37 ASN CA 1 37 ASN C 1 38 TYR N 1 38 TYR CA 170.00 -170.00 171.95 168.86 176.98 1.14 20 0 "[ . 1 . 2]"
104 . 1 37 ASN C 1 38 TYR N 1 38 TYR CA 1 38 TYR C -125.00 -45.00 -81.13 -82.25 -83.21 . . 0 "[ . 1 . 2]"
105 . 1 38 TYR N 1 38 TYR CA 1 38 TYR C 1 39 VAL N -115.00 -125.00 166.90 -123.56 -123.57 1.44 2 0 "[ . 1 . 2]"
106 . 1 38 TYR N 1 38 TYR CA 1 38 TYR CB 1 38 TYR CG 115.00 -125.00 -174.90 -179.51 -167.73 . . 0 "[ . 1 . 2]"
107 . 1 38 TYR CA 1 38 TYR C 1 39 VAL N 1 39 VAL CA 170.00 -170.00 179.31 166.17 -166.91 3.83 5 0 "[ . 1 . 2]"
108 . 1 38 TYR C 1 39 VAL N 1 39 VAL CA 1 39 VAL C 35.00 -65.00 127.72 53.86 -67.50 . . 0 "[ . 1 . 2]"
109 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 PHE N -105.00 -135.00 150.11 100.04 178.07 . . 0 "[ . 1 . 2]"
110 . 1 39 VAL CA 1 39 VAL C 1 40 PHE N 1 40 PHE CA 170.00 -170.00 -177.47 179.75 178.96 0.94 16 0 "[ . 1 . 2]"
111 . 1 39 VAL C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -90.00 -30.00 -53.82 -51.18 -52.56 . . 0 "[ . 1 . 2]"
112 . 1 40 PHE N 1 40 PHE CA 1 40 PHE C 1 41 PRO N 75.00 15.00 151.95 151.00 150.64 . . 0 "[ . 1 . 2]"
113 . 1 40 PHE CA 1 40 PHE C 1 41 PRO N 1 41 PRO CA -10.00 10.00 -7.82 -10.80 6.88 0.80 10 0 "[ . 1 . 2]"
114 . 1 41 PRO CA 1 41 PRO C 1 42 ALA N 1 42 ALA CA 170.00 -170.00 -174.70 -176.17 -178.58 0.85 20 0 "[ . 1 . 2]"
115 . 1 42 ALA CA 1 42 ALA C 1 43 HIS N 1 43 HIS CA 170.00 -170.00 -179.64 176.70 173.90 1.09 16 0 "[ . 1 . 2]"
116 . 1 42 ALA C 1 43 HIS N 1 43 HIS CA 1 43 HIS C 35.00 -65.00 -51.65 -64.22 -64.45 1.86 7 0 "[ . 1 . 2]"
117 . 1 43 HIS N 1 43 HIS CA 1 43 HIS C 1 44 LYS N 115.00 -15.00 129.77 114.28 154.48 0.72 16 0 "[ . 1 . 2]"
118 . 1 43 HIS CA 1 43 HIS C 1 44 LYS N 1 44 LYS CA 170.00 -170.00 -175.16 -175.09 -178.55 1.13 9 0 "[ . 1 . 2]"
119 . 1 43 HIS C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -155.00 -75.00 -126.93 -133.32 -139.59 . . 0 "[ . 1 . 2]"
120 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 CYS N 115.00 -45.00 138.90 123.40 155.69 . . 0 "[ . 1 . 2]"
121 . 1 44 LYS CA 1 44 LYS C 1 45 CYS N 1 45 CYS CA 170.00 -170.00 -179.32 171.89 -169.84 0.16 13 0 "[ . 1 . 2]"
122 . 1 44 LYS C 1 45 CYS N 1 45 CYS CA 1 45 CYS C 35.00 -65.00 -76.33 -86.50 -67.29 . . 0 "[ . 1 . 2]"
123 . 1 45 CYS CA 1 45 CYS C 1 46 ILE N 1 46 ILE CA 170.00 -170.00 174.72 168.71 -177.13 1.29 10 0 "[ . 1 . 2]"
124 . 1 45 CYS N 1 45 CYS CA 1 45 CYS C 1 46 ILE N -115.00 -125.00 106.98 123.80 109.19 . . 0 "[ . 1 . 2]"
125 . 1 45 CYS C 1 46 ILE N 1 46 ILE CA 1 46 ILE C -160.00 -80.00 -95.51 -134.00 -78.20 1.80 7 0 "[ . 1 . 2]"
126 . 1 46 ILE CA 1 46 ILE C 1 47 CYS N 1 47 CYS CA 170.00 -170.00 177.16 169.95 -176.06 0.05 18 0 "[ . 1 . 2]"
127 . 1 46 ILE N 1 46 ILE CA 1 46 ILE C 1 47 CYS N 55.00 175.00 136.53 121.40 151.38 . . 0 "[ . 1 . 2]"
128 . 1 46 ILE N 1 46 ILE CA 1 46 ILE CB 1 46 ILE CG1 -175.00 -35.00 -54.84 -64.86 -67.35 . . 0 "[ . 1 . 2]"
129 . 1 46 ILE C 1 47 CYS N 1 47 CYS CA 1 47 CYS C -150.00 -90.00 -129.53 -138.00 -142.65 . . 0 "[ . 1 . 2]"
130 . 1 47 CYS CA 1 47 CYS C 1 48 TYR N 1 48 TYR CA 170.00 -170.00 -168.47 -169.78 -166.51 3.49 15 0 "[ . 1 . 2]"
131 . 1 47 CYS N 1 47 CYS CA 1 47 CYS C 1 48 TYR N -105.00 -135.00 145.71 142.25 141.54 . . 0 "[ . 1 . 2]"
132 . 1 47 CYS N 1 47 CYS CA 1 47 CYS CB 1 47 CYS SG 160.00 -140.00 -162.46 -155.83 -157.57 . . 0 "[ . 1 . 2]"
133 . 1 47 CYS C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -155.00 -85.00 -120.29 -141.09 -102.32 . . 0 "[ . 1 . 2]"
134 . 1 48 TYR CA 1 48 TYR C 1 49 PHE N 1 49 PHE CA 170.00 -170.00 -177.63 -179.51 178.06 . . 0 "[ . 1 . 2]"
135 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 PHE N 65.00 165.00 119.58 112.12 105.26 . . 0 "[ . 1 . 2]"
136 . 1 48 TYR C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -155.00 -85.00 -121.68 -155.36 -94.56 0.36 15 0 "[ . 1 . 2]"
137 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 PRO N -105.00 -135.00 146.84 141.89 139.66 . . 0 "[ . 1 . 2]"
138 . 1 49 PHE CA 1 49 PHE C 1 50 PRO N 1 50 PRO CA 170.00 -170.00 177.06 -177.65 179.87 0.15 5 0 "[ . 1 . 2]"
139 . 1 50 PRO CA 1 50 PRO C 1 51 CYS N 1 51 CYS CA 170.00 -170.00 -174.41 168.99 -168.43 1.57 8 0 "[ . 1 . 2]"
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