NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535400 |
2rs6   |
11456 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2rs6
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 1
_TA_constraint_stats_list.Viol_count 0
_TA_constraint_stats_list.Viol_total 0.00
_TA_constraint_stats_list.Viol_max 0.00
_TA_constraint_stats_list.Viol_rms 0.00
_TA_constraint_stats_list.Viol_average_all_restraints 0.00
_TA_constraint_stats_list.Viol_average_violations_only 0.00
_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 SER CA 1 2 SER N 1 1 GLY C 1 1 GLY CA 170.00 -170.00 -176.43 178.48 -170.87 . . 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 155
_TA_constraint_stats_list.Viol_count 187
_TA_constraint_stats_list.Viol_total 26126.05
_TA_constraint_stats_list.Viol_max 46.06
_TA_constraint_stats_list.Viol_rms 3.42
_TA_constraint_stats_list.Viol_average_all_restraints 0.42
_TA_constraint_stats_list.Viol_average_violations_only 6.99
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 8 ILE N 1 8 ILE CA 1 8 ILE CB 1 8 ILE CG1 160.00 -160.00 -171.10 -176.44 -168.02 . . 0 "[ . 1 . 2]"
2 . 1 7 GLY C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -120.00 -60.00 -72.93 -77.33 -78.01 0.30 17 0 "[ . 1 . 2]"
3 . 1 8 ILE C 1 9 LYS N 1 9 LYS CA 1 9 LYS C -93.70 -33.70 -66.21 -69.80 -57.92 . . 0 "[ . 1 . 2]"
4 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 ASN N -64.00 -4.00 -42.42 -44.74 -46.18 . . 0 "[ . 1 . 2]"
5 . 1 9 LYS C 1 10 ASN N 1 10 ASN CA 1 10 ASN C -94.00 -34.00 -68.86 -79.54 -63.40 . . 0 "[ . 1 . 2]"
6 . 1 10 ASN N 1 10 ASN CA 1 10 ASN C 1 11 PHE N -72.00 -12.00 -31.64 -32.42 -33.79 . . 0 "[ . 1 . 2]"
7 . 1 10 ASN C 1 11 PHE N 1 11 PHE CA 1 11 PHE C -95.00 -35.00 -67.36 -68.26 -68.29 . . 0 "[ . 1 . 2]"
8 . 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 LEU N -71.00 -11.00 -43.67 -44.62 -45.27 . . 0 "[ . 1 . 2]"
9 . 1 12 LEU N 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG 160.00 -160.00 -176.84 -178.04 -175.65 . . 0 "[ . 1 . 2]"
10 . 1 12 LEU CA 1 12 LEU CB 1 12 LEU CG 1 12 LEU CD1 40.00 80.00 53.16 53.96 53.49 . . 0 "[ . 1 . 2]"
11 . 1 11 PHE C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -91.00 -31.00 -62.86 -62.94 -63.11 . . 0 "[ . 1 . 2]"
12 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 TYR N -72.00 -12.00 -43.06 -44.39 -41.79 . . 0 "[ . 1 . 2]"
13 . 1 13 TYR N 1 13 TYR CA 1 13 TYR CB 1 13 TYR CG 160.00 -160.00 -171.06 -169.46 -169.95 . . 0 "[ . 1 . 2]"
14 . 1 12 LEU C 1 13 TYR N 1 13 TYR CA 1 13 TYR C -94.00 -34.00 -62.83 -62.13 -62.38 . . 0 "[ . 1 . 2]"
15 . 1 13 TYR N 1 13 TYR CA 1 13 TYR C 1 14 ALA N -69.00 -9.00 -42.69 -41.93 -42.28 . . 0 "[ . 1 . 2]"
16 . 1 13 TYR C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -96.00 -36.00 -68.60 -70.57 -66.69 . . 0 "[ . 1 . 2]"
17 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 TRP N -72.00 -12.00 -39.52 -38.80 -39.05 . . 0 "[ . 1 . 2]"
18 . 1 14 ALA C 1 15 TRP N 1 15 TRP CA 1 15 TRP C -94.00 -34.00 -61.29 -64.01 -59.89 . . 0 "[ . 1 . 2]"
19 . 1 15 TRP N 1 15 TRP CA 1 15 TRP C 1 16 CYS N -75.00 -15.00 -45.44 -41.54 -43.32 . . 0 "[ . 1 . 2]"
20 . 1 15 TRP C 1 16 CYS N 1 16 CYS CA 1 16 CYS C -91.00 -31.00 -58.70 -63.03 -57.55 . . 0 "[ . 1 . 2]"
21 . 1 16 CYS N 1 16 CYS CA 1 16 CYS C 1 17 GLY N -71.00 -11.00 -45.33 -47.14 -43.23 . . 0 "[ . 1 . 2]"
22 . 1 16 CYS C 1 17 GLY N 1 17 GLY CA 1 17 GLY C -94.00 -34.00 -66.87 -68.86 -65.65 . . 0 "[ . 1 . 2]"
23 . 1 17 GLY N 1 17 GLY CA 1 17 GLY C 1 18 LYS N -69.00 -9.00 -26.82 -28.64 -25.23 . . 0 "[ . 1 . 2]"
24 . 1 17 GLY C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -96.00 -36.00 -77.86 -79.90 -70.34 . . 0 "[ . 1 . 2]"
25 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 ARG N -59.00 1.00 -8.71 -17.53 -6.38 . . 0 "[ . 1 . 2]"
26 . 1 18 LYS C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -119.00 -59.00 -118.60 -99.01 -119.30 0.72 11 0 "[ . 1 . 2]"
27 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 LYS N -37.00 33.00 8.81 7.47 9.53 . . 0 "[ . 1 . 2]"
28 . 1 21 MET C 1 22 THR N 1 22 THR CA 1 22 THR C -143.00 -83.00 -142.10 -140.86 -141.40 0.53 3 0 "[ . 1 . 2]"
29 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 PRO N 102.00 162.00 131.00 129.22 133.31 . . 0 "[ . 1 . 2]"
30 . 1 23 PRO C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -136.00 -76.00 -119.35 -118.57 -119.85 . . 0 "[ . 1 . 2]"
31 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 TYR N 95.00 155.00 117.01 117.13 116.89 . . 0 "[ . 1 . 2]"
32 . 1 25 TYR N 1 25 TYR CA 1 25 TYR CB 1 25 TYR CG -80.00 -40.00 -65.68 -64.90 -65.28 . . 0 "[ . 1 . 2]"
33 . 1 24 ALA C 1 25 TYR N 1 25 TYR CA 1 25 TYR C -137.00 -77.00 -100.65 -114.72 -95.74 . . 0 "[ . 1 . 2]"
34 . 1 25 TYR N 1 25 TYR CA 1 25 TYR C 1 26 GLU N 103.00 163.00 156.79 156.31 155.19 . . 0 "[ . 1 . 2]"
35 . 1 25 TYR C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -147.00 -87.00 -146.03 -146.98 -147.09 0.39 17 0 "[ . 1 . 2]"
36 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 ILE N 103.00 163.00 145.55 136.86 129.38 . . 0 "[ . 1 . 2]"
37 . 1 27 ILE N 1 27 ILE CA 1 27 ILE CB 1 27 ILE CG1 -80.00 -40.00 -65.12 -66.52 -66.91 . . 0 "[ . 1 . 2]"
38 . 1 26 GLU C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -147.00 -87.00 -133.40 -138.53 -123.78 . . 0 "[ . 1 . 2]"
39 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 ARG N 102.00 162.00 146.60 139.87 148.88 . . 0 "[ . 1 . 2]"
40 . 1 27 ILE C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -148.00 -88.00 -138.11 -145.25 -122.52 . . 0 "[ . 1 . 2]"
41 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 ALA N 111.00 171.00 138.21 140.01 139.85 . . 0 "[ . 1 . 2]"
42 . 1 28 ARG C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -127.00 -67.00 -90.03 -116.52 -77.93 . . 0 "[ . 1 . 2]"
43 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 VAL N 102.00 162.00 139.01 139.69 138.74 . . 0 "[ . 1 . 2]"
44 . 1 29 ALA C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -150.00 -90.00 -146.80 -149.56 -144.28 . . 0 "[ . 1 . 2]"
45 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 GLY N 116.00 176.00 170.73 155.33 -174.84 9.16 18 1 "[ . 1 . + 2]"
46 . 1 31 GLY C 1 32 ASN N 1 32 ASN CA 1 32 ASN C -116.00 -56.00 -88.44 -60.18 -64.28 12.47 14 1 "[ . 1 +. 2]"
47 . 1 32 ASN N 1 32 ASN CA 1 32 ASN C 1 33 LYS N 119.00 179.00 152.72 138.99 168.16 . . 0 "[ . 1 . 2]"
48 . 1 32 ASN C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -88.00 -28.00 -60.09 -65.44 -53.27 . . 0 "[ . 1 . 2]"
49 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 ASN N -58.00 2.00 -34.86 -45.49 -21.13 . . 0 "[ . 1 . 2]"
50 . 1 33 LYS C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -117.00 -57.00 -83.02 -78.76 -79.59 . . 0 "[ . 1 . 2]"
51 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 ARG N -54.00 6.00 -25.42 -50.51 2.64 . . 0 "[ . 1 . 2]"
52 . 1 34 ASN C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -117.00 -57.00 -134.67 -159.30 -85.66 42.30 11 14 "[ * **-* 1+**** ****]"
53 . 1 35 ARG C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -123.00 -63.00 -78.97 -94.24 -66.62 . . 0 "[ . 1 . 2]"
54 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 LYS N 103.00 163.00 149.14 136.36 166.02 3.02 20 0 "[ . 1 . 2]"
55 . 1 36 GLN C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -148.00 -88.00 -135.37 -104.25 -130.24 . . 0 "[ . 1 . 2]"
56 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 PHE N 117.00 177.00 163.76 153.89 168.66 . . 0 "[ . 1 . 2]"
57 . 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG -80.00 -40.00 -61.69 -61.72 -62.01 . . 0 "[ . 1 . 2]"
58 . 1 37 LYS C 1 38 PHE N 1 38 PHE CA 1 38 PHE C -135.00 -75.00 -133.83 -133.19 -133.89 0.75 14 0 "[ . 1 . 2]"
59 . 1 38 PHE N 1 38 PHE CA 1 38 PHE C 1 39 MET N 102.00 162.00 134.11 124.08 149.72 . . 0 "[ . 1 . 2]"
60 . 1 38 PHE C 1 39 MET N 1 39 MET CA 1 39 MET C -147.00 -87.00 -101.39 -108.55 -113.21 . . 0 "[ . 1 . 2]"
61 . 1 39 MET N 1 39 MET CA 1 39 MET C 1 40 CYS N 95.00 155.00 153.65 151.48 148.88 0.35 13 0 "[ . 1 . 2]"
62 . 1 40 CYS N 1 40 CYS CA 1 40 CYS CB 1 40 CYS SG 160.00 -160.00 -173.99 -175.97 -170.19 . . 0 "[ . 1 . 2]"
63 . 1 39 MET C 1 40 CYS N 1 40 CYS CA 1 40 CYS C -154.00 -94.00 -144.13 -148.31 -135.76 . . 0 "[ . 1 . 2]"
64 . 1 40 CYS N 1 40 CYS CA 1 40 CYS C 1 41 GLU N 101.00 161.00 147.86 146.18 145.38 . . 0 "[ . 1 . 2]"
65 . 1 40 CYS C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -153.00 -93.00 -130.04 -126.70 -127.30 . . 0 "[ . 1 . 2]"
66 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 VAL N 111.00 171.00 149.57 136.80 159.64 . . 0 "[ . 1 . 2]"
67 . 1 42 VAL N 1 42 VAL CA 1 42 VAL CB 1 42 VAL CG1 40.00 80.00 70.14 70.47 70.32 . . 0 "[ . 1 . 2]"
68 . 1 41 GLU C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -165.00 -105.00 -139.46 -139.66 -140.08 . . 0 "[ . 1 . 2]"
69 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 ARG N 107.00 167.00 141.77 140.11 139.79 . . 0 "[ . 1 . 2]"
70 . 1 43 ARG N 1 43 ARG CA 1 43 ARG CB 1 43 ARG CG -80.00 -40.00 -62.01 -78.18 -47.88 . . 0 "[ . 1 . 2]"
71 . 1 42 VAL C 1 43 ARG N 1 43 ARG CA 1 43 ARG C -149.00 -89.00 -137.37 -140.79 -124.94 . . 0 "[ . 1 . 2]"
72 . 1 43 ARG N 1 43 ARG CA 1 43 ARG C 1 44 VAL N 107.00 167.00 159.05 153.37 166.51 . . 0 "[ . 1 . 2]"
73 . 1 44 VAL N 1 44 VAL CA 1 44 VAL CB 1 44 VAL CG1 160.00 -160.00 -177.46 -176.56 -176.88 . . 0 "[ . 1 . 2]"
74 . 1 43 ARG C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -142.00 -82.00 -140.08 -140.23 -140.57 0.11 11 0 "[ . 1 . 2]"
75 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 GLU N 94.00 154.00 135.90 134.32 139.01 . . 0 "[ . 1 . 2]"
76 . 1 44 VAL C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -103.00 -43.00 -59.88 -61.75 -57.54 . . 0 "[ . 1 . 2]"
77 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 GLY N 102.00 162.00 129.78 129.38 129.29 . . 0 "[ . 1 . 2]"
78 . 1 47 PHE N 1 47 PHE CA 1 47 PHE CB 1 47 PHE CG -80.00 -40.00 -61.26 -66.16 -59.64 . . 0 "[ . 1 . 2]"
79 . 1 46 GLY C 1 47 PHE N 1 47 PHE CA 1 47 PHE C -129.00 -69.00 -121.27 -122.96 -123.83 . . 0 "[ . 1 . 2]"
80 . 1 47 PHE N 1 47 PHE CA 1 47 PHE C 1 48 ASN N 104.00 164.00 131.53 134.11 133.01 . . 0 "[ . 1 . 2]"
81 . 1 47 PHE C 1 48 ASN N 1 48 ASN CA 1 48 ASN C -119.00 -59.00 -80.60 -81.87 -82.32 . . 0 "[ . 1 . 2]"
82 . 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG 160.00 -160.00 -170.06 -169.59 -169.98 . . 0 "[ . 1 . 2]"
83 . 1 48 ASN C 1 49 TYR N 1 49 TYR CA 1 49 TYR C -120.00 -60.00 -82.62 -120.10 -69.10 0.10 18 0 "[ . 1 . 2]"
84 . 1 49 TYR N 1 49 TYR CA 1 49 TYR C 1 50 ALA N 95.00 155.00 157.23 159.23 158.08 5.44 5 2 "[ + 1 . -2]"
85 . 1 49 TYR C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -135.00 -75.00 -132.38 -135.57 -125.96 0.57 4 0 "[ . 1 . 2]"
86 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 GLY N 99.00 159.00 116.63 121.12 120.53 . . 0 "[ . 1 . 2]"
87 . 1 51 GLY C 1 52 MET N 1 52 MET CA 1 52 MET C -151.00 -91.00 -139.68 -151.19 -123.60 0.19 16 0 "[ . 1 . 2]"
88 . 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 GLY N 111.00 171.00 145.44 142.14 141.65 . . 0 "[ . 1 . 2]"
89 . 1 52 MET C 1 53 GLY N 1 53 GLY CA 1 53 GLY C -173.00 -113.00 -150.33 -155.19 -144.50 . . 0 "[ . 1 . 2]"
90 . 1 53 GLY N 1 53 GLY CA 1 53 GLY C 1 54 ASN N 132.00 -168.00 173.77 172.07 170.10 . . 0 "[ . 1 . 2]"
91 . 1 53 GLY C 1 54 ASN N 1 54 ASN CA 1 54 ASN C -151.00 -91.00 -155.87 -155.93 -157.28 8.88 5 9 "[* **+ - 1 * * * *2]"
92 . 1 54 ASN N 1 54 ASN CA 1 54 ASN C 1 55 SER N 112.00 172.00 156.02 161.49 160.90 . . 0 "[ . 1 . 2]"
93 . 1 56 THR C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -142.00 -82.00 -144.38 -152.01 -119.60 10.01 2 10 "[*+ *.* **1* -* *2]"
94 . 1 57 ASN N 1 57 ASN CA 1 57 ASN C 1 58 LYS N 122.00 -178.00 150.68 159.25 157.36 . . 0 "[ . 1 . 2]"
95 . 1 57 ASN C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -88.00 -28.00 -65.20 -71.72 -60.39 . . 0 "[ . 1 . 2]"
96 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 LYS N -69.00 -9.00 -31.50 -30.27 -30.66 . . 0 "[ . 1 . 2]"
97 . 1 58 LYS C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -93.00 -33.00 -70.06 -74.32 -64.55 . . 0 "[ . 1 . 2]"
98 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 ASP N -72.00 -12.00 -46.25 -46.63 -47.66 . . 0 "[ . 1 . 2]"
99 . 1 59 LYS C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -95.00 -35.00 -72.60 -69.47 -69.66 . . 0 "[ . 1 . 2]"
100 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 ALA N -69.00 -9.00 -29.63 -29.72 -30.34 . . 0 "[ . 1 . 2]"
101 . 1 60 ASP C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -94.00 -34.00 -65.20 -67.10 -67.71 . . 0 "[ . 1 . 2]"
102 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 GLN N -73.00 -13.00 -44.50 -46.35 -41.42 . . 0 "[ . 1 . 2]"
103 . 1 61 ALA C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -98.00 -38.00 -62.68 -65.71 -60.13 . . 0 "[ . 1 . 2]"
104 . 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 SER N -74.00 -14.00 -39.83 -39.48 -40.01 . . 0 "[ . 1 . 2]"
105 . 1 62 GLN C 1 63 SER N 1 63 SER CA 1 63 SER C -96.00 -36.00 -64.14 -63.26 -63.98 . . 0 "[ . 1 . 2]"
106 . 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 ASN N -74.00 -14.00 -36.64 -38.39 -38.74 . . 0 "[ . 1 . 2]"
107 . 1 63 SER C 1 64 ASN N 1 64 ASN CA 1 64 ASN C -92.00 -32.00 -72.17 -75.50 -67.77 . . 0 "[ . 1 . 2]"
108 . 1 64 ASN N 1 64 ASN CA 1 64 ASN C 1 65 ALA N -71.00 -11.00 -38.03 -38.91 -39.99 . . 0 "[ . 1 . 2]"
109 . 1 64 ASN C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -95.00 -35.00 -63.37 -65.21 -61.70 . . 0 "[ . 1 . 2]"
110 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 ALA N -72.00 -12.00 -43.85 -45.65 -42.32 . . 0 "[ . 1 . 2]"
111 . 1 65 ALA C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -92.00 -32.00 -61.51 -62.76 -59.68 . . 0 "[ . 1 . 2]"
112 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 ARG N -68.00 -8.00 -48.41 -48.23 -48.91 . . 0 "[ . 1 . 2]"
113 . 1 66 ALA C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -96.00 -36.00 -56.30 -57.32 -57.80 . . 0 "[ . 1 . 2]"
114 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 ASP N -71.00 -11.00 -40.46 -38.07 -39.48 . . 0 "[ . 1 . 2]"
115 . 1 67 ARG C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -91.00 -31.00 -72.04 -77.40 -67.85 . . 0 "[ . 1 . 2]"
116 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 PHE N -75.00 -15.00 -32.54 -29.52 -30.48 . . 0 "[ . 1 . 2]"
117 . 1 69 PHE N 1 69 PHE CA 1 69 PHE CB 1 69 PHE CG 160.00 -160.00 -167.37 -167.84 -169.35 . . 0 "[ . 1 . 2]"
118 . 1 69 PHE CA 1 69 PHE CB 1 69 PHE CG 1 69 PHE CD1 70.00 110.00 85.93 89.25 87.98 . . 0 "[ . 1 . 2]"
119 . 1 68 ASP C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -94.00 -34.00 -75.52 -80.87 -70.21 . . 0 "[ . 1 . 2]"
120 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 VAL N -77.00 -17.00 -38.30 -38.31 -38.84 . . 0 "[ . 1 . 2]"
121 . 1 70 VAL N 1 70 VAL CA 1 70 VAL CB 1 70 VAL CG1 160.00 -160.00 172.34 169.89 176.06 . . 0 "[ . 1 . 2]"
122 . 1 69 PHE C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -94.00 -34.00 -62.76 -63.20 -63.83 . . 0 "[ . 1 . 2]"
123 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 ASN N -76.00 -16.00 -39.71 -43.15 -35.48 . . 0 "[ . 1 . 2]"
124 . 1 70 VAL C 1 71 ASN N 1 71 ASN CA 1 71 ASN C -91.00 -31.00 -57.65 -56.59 -56.75 . . 0 "[ . 1 . 2]"
125 . 1 71 ASN N 1 71 ASN CA 1 71 ASN C 1 72 TYR N -70.00 -10.00 -44.46 -50.62 -31.68 . . 0 "[ . 1 . 2]"
126 . 1 72 TYR N 1 72 TYR CA 1 72 TYR CB 1 72 TYR CG 160.00 -160.00 161.12 160.08 159.84 2.45 19 0 "[ . 1 . 2]"
127 . 1 71 ASN C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -94.00 -34.00 -58.55 -52.57 -52.87 . . 0 "[ . 1 . 2]"
128 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 LEU N -76.00 -16.00 -43.78 -46.72 -40.66 . . 0 "[ . 1 . 2]"
129 . 1 73 LEU N 1 73 LEU CA 1 73 LEU CB 1 73 LEU CG -80.00 -40.00 -64.39 -66.88 -61.38 . . 0 "[ . 1 . 2]"
130 . 1 73 LEU CA 1 73 LEU CB 1 73 LEU CG 1 73 LEU CD1 160.00 -160.00 172.97 169.53 175.48 . . 0 "[ . 1 . 2]"
131 . 1 72 TYR C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -87.00 -27.00 -62.64 -65.83 -60.70 . . 0 "[ . 1 . 2]"
132 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 VAL N -74.00 -14.00 -30.03 -22.27 -22.49 . . 0 "[ . 1 . 2]"
133 . 1 74 VAL N 1 74 VAL CA 1 74 VAL CB 1 74 VAL CG1 160.00 -160.00 176.06 171.84 -174.64 . . 0 "[ . 1 . 2]"
134 . 1 73 LEU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -94.00 -34.00 -72.89 -83.46 -66.51 . . 0 "[ . 1 . 2]"
135 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ARG N -70.00 -10.00 -41.15 -36.72 -37.32 . . 0 "[ . 1 . 2]"
136 . 1 74 VAL C 1 75 ARG N 1 75 ARG CA 1 75 ARG C -91.00 -31.00 -63.18 -60.66 -61.38 . . 0 "[ . 1 . 2]"
137 . 1 75 ARG N 1 75 ARG CA 1 75 ARG C 1 76 ILE N -64.00 -4.00 -25.32 -30.94 -13.40 . . 0 "[ . 1 . 2]"
138 . 1 75 ARG C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -125.00 -65.00 -102.97 -114.04 -96.91 . . 0 "[ . 1 . 2]"
139 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 ASN N -30.00 30.00 5.84 4.48 3.48 . . 0 "[ . 1 . 2]"
140 . 1 79 VAL N 1 79 VAL CA 1 79 VAL CB 1 79 VAL CG1 160.00 -160.00 175.98 173.60 -179.39 . . 0 "[ . 1 . 2]"
141 . 1 78 GLU C 1 79 VAL N 1 79 VAL CA 1 79 VAL C -147.00 -87.00 -136.48 -138.53 -139.68 . . 0 "[ . 1 . 2]"
142 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 LYS N 109.00 169.00 139.22 134.59 144.36 . . 0 "[ . 1 . 2]"
143 . 1 79 VAL C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -115.00 -55.00 -86.88 -98.32 -79.54 . . 0 "[ . 1 . 2]"
144 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 SER N 109.00 169.00 129.86 125.69 137.44 . . 0 "[ . 1 . 2]"
145 . 1 80 LYS C 1 81 SER N 1 81 SER CA 1 81 SER C -91.00 -31.00 -55.87 -60.00 -53.52 . . 0 "[ . 1 . 2]"
146 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 GLU N -63.00 -3.00 -32.90 -27.37 -30.15 . . 0 "[ . 1 . 2]"
147 . 1 81 SER C 1 82 GLU N 1 82 GLU CA 1 82 GLU C -99.00 -39.00 -59.39 -63.52 -51.04 . . 0 "[ . 1 . 2]"
148 . 1 82 GLU N 1 82 GLU CA 1 82 GLU C 1 83 GLU N -58.00 2.00 -20.48 -20.71 -21.28 . . 0 "[ . 1 . 2]"
149 . 1 84 VAL N 1 84 VAL CA 1 84 VAL CB 1 84 VAL CG1 160.00 -160.00 -178.06 -180.00 -174.40 . . 0 "[ . 1 . 2]"
150 . 1 83 GLU C 1 84 VAL N 1 84 VAL CA 1 84 VAL C -122.00 -62.00 -78.48 -81.12 -83.09 . . 0 "[ . 1 . 2]"
151 . 1 84 VAL N 1 84 VAL CA 1 84 VAL C 1 85 PRO N 103.00 163.00 125.32 122.75 129.43 . . 0 "[ . 1 . 2]"
152 . 1 85 PRO C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -116.00 -56.00 -139.26 -162.06 -70.06 46.06 7 16 "[ *-*.*+ ***********]"
153 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 VAL N 111.00 171.00 155.87 153.45 138.75 0.00 7 0 "[ . 1 . 2]"
154 . 1 88 GLY C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -124.00 -64.00 -113.07 -124.60 -124.82 9.62 16 4 "[ . ** .+- 2]"
155 . 1 89 ILE N 1 89 ILE CA 1 89 ILE C 1 90 VAL N 97.00 157.00 129.15 96.55 157.62 0.62 3 0 "[ . 1 . 2]"
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