NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378380 |
1h3z   |
5538 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1h3z
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 28
_TA_constraint_stats_list.Viol_count 44
_TA_constraint_stats_list.Viol_total 1774.25
_TA_constraint_stats_list.Viol_max 3.85
_TA_constraint_stats_list.Viol_rms 0.52
_TA_constraint_stats_list.Viol_average_all_restraints 0.12
_TA_constraint_stats_list.Viol_average_violations_only 1.75
_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 7 TYR N 1 7 TYR CA 1 7 TYR CB 1 7 TYR CG -105.00 -15.00 -64.99 -69.56 -55.70 . . 0 "[ . 1 . 2 ]"
2 . 1 11 MET N 1 11 MET CA 1 11 MET CB 1 11 MET CG -105.00 -15.00 -96.46 -97.67 -98.06 . . 0 "[ . 1 . 2 ]"
3 . 1 17 MET N 1 17 MET CA 1 17 MET CB 1 17 MET CG 135.00 -135.00 -132.80 -133.18 -133.30 3.54 15 0 "[ . 1 . 2 ]"
4 . 1 20 PHE N 1 20 PHE CA 1 20 PHE CB 1 20 PHE CG -105.00 -15.00 -99.85 -108.85 -86.04 3.85 21 0 "[ . 1 . 2 ]"
5 . 1 22 TRP N 1 22 TRP CA 1 22 TRP CB 1 22 TRP CG -105.00 -15.00 -68.58 -72.32 -75.11 . . 0 "[ . 1 . 2 ]"
6 . 1 26 MET N 1 26 MET CA 1 26 MET CB 1 26 MET CG 135.00 -135.00 -168.41 175.34 166.10 . . 0 "[ . 1 . 2 ]"
7 . 1 41 LYS N 1 41 LYS CA 1 41 LYS CB 1 41 LYS CG 135.00 -135.00 -163.68 -155.46 -162.88 . . 0 "[ . 1 . 2 ]"
8 . 1 48 PHE N 1 48 PHE CA 1 48 PHE CB 1 48 PHE CG -105.00 -15.00 -71.36 -77.34 -66.77 . . 0 "[ . 1 . 2 ]"
9 . 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG -105.00 -15.00 -64.79 -63.04 -64.20 . . 0 "[ . 1 . 2 ]"
10 . 1 54 PHE N 1 54 PHE CA 1 54 PHE CB 1 54 PHE CG -105.00 -15.00 -73.91 -77.20 -68.12 . . 0 "[ . 1 . 2 ]"
11 . 1 56 ASN N 1 56 ASN CA 1 56 ASN CB 1 56 ASN CG -105.00 -15.00 -75.72 -51.53 -55.96 . . 0 "[ . 1 . 2 ]"
12 . 1 59 TYR N 1 59 TYR CA 1 59 TYR CB 1 59 TYR CG -105.00 -15.00 -60.34 -68.49 -53.79 . . 0 "[ . 1 . 2 ]"
13 . 1 60 LEU N 1 60 LEU CA 1 60 LEU CB 1 60 LEU CG 135.00 -135.00 174.27 171.02 177.59 . . 0 "[ . 1 . 2 ]"
14 . 1 61 TRP N 1 61 TRP CA 1 61 TRP CB 1 61 TRP CG -105.00 -15.00 -72.33 -74.59 -69.56 . . 0 "[ . 1 . 2 ]"
15 . 1 67 LEU N 1 67 LEU CA 1 67 LEU CB 1 67 LEU CG -105.00 -15.00 -99.06 -97.60 -98.84 1.37 15 0 "[ . 1 . 2 ]"
16 . 1 78 PHE N 1 78 PHE CA 1 78 PHE CB 1 78 PHE CG 135.00 -135.00 161.59 165.03 163.69 . . 0 "[ . 1 . 2 ]"
17 . 1 79 LEU N 1 79 LEU CA 1 79 LEU CB 1 79 LEU CG -105.00 -15.00 -60.15 -60.99 -61.56 . . 0 "[ . 1 . 2 ]"
18 . 1 89 LEU N 1 89 LEU CA 1 89 LEU CB 1 89 LEU CG 135.00 -135.00 179.51 -178.03 -179.14 . . 0 "[ . 1 . 2 ]"
19 . 1 93 TYR N 1 93 TYR CA 1 93 TYR CB 1 93 TYR CG -105.00 -15.00 -91.50 -85.89 -86.88 . . 0 "[ . 1 . 2 ]"
20 . 1 95 MET N 1 95 MET CA 1 95 MET CB 1 95 MET CG 135.00 -135.00 -148.35 -159.08 -168.42 . . 0 "[ . 1 . 2 ]"
21 . 1 102 LEU N 1 102 LEU CA 1 102 LEU CB 1 102 LEU CG 135.00 -135.00 -179.83 161.33 157.58 0.83 17 0 "[ . 1 . 2 ]"
22 . 1 105 LEU N 1 105 LEU CA 1 105 LEU CB 1 105 LEU CG 135.00 -135.00 -136.86 -141.26 -133.96 1.04 22 0 "[ . 1 . 2 ]"
23 . 1 5 VAL N 1 5 VAL CA 1 5 VAL CB 1 5 VAL CG1 135.00 -135.00 -168.78 134.03 -147.82 0.97 23 0 "[ . 1 . 2 ]"
24 . 1 13 VAL N 1 13 VAL CA 1 13 VAL CB 1 13 VAL HB 135.00 -135.00 -173.22 -177.83 -165.74 . . 0 "[ . 1 . 2 ]"
25 . 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 135.00 -135.00 179.40 174.55 -171.61 . . 0 "[ . 1 . 2 ]"
26 . 1 28 VAL N 1 28 VAL CA 1 28 VAL CB 1 28 VAL HB 135.00 -135.00 -170.06 -174.60 -159.11 . . 0 "[ . 1 . 2 ]"
27 . 1 36 VAL N 1 36 VAL CA 1 36 VAL CB 1 36 VAL CG1 135.00 -135.00 157.78 147.94 167.30 . . 0 "[ . 1 . 2 ]"
28 . 1 51 VAL N 1 51 VAL CA 1 51 VAL CB 1 51 VAL HB 135.00 -135.00 -158.94 -156.90 -158.46 . . 0 "[ . 1 . 2 ]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 180
_TA_constraint_stats_list.Viol_count 954
_TA_constraint_stats_list.Viol_total 23943.55
_TA_constraint_stats_list.Viol_max 4.91
_TA_constraint_stats_list.Viol_rms 0.64
_TA_constraint_stats_list.Viol_average_all_restraints 0.25
_TA_constraint_stats_list.Viol_average_violations_only 1.09
_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 4 ARG C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -122.00 -78.00 -105.98 -116.17 -119.25 . . 0 "[ . 1 . 2 ]"
2 . 1 5 VAL C 1 6 ASN N 1 6 ASN CA 1 6 ASN C -120.00 -74.00 -86.31 -84.34 -86.68 1.06 13 0 "[ . 1 . 2 ]"
3 . 1 7 TYR C 1 8 LYS N 1 8 LYS CA 1 8 LYS C -145.00 -87.00 -113.57 -134.13 -95.61 . . 0 "[ . 1 . 2 ]"
4 . 1 8 LYS C 1 9 PRO N 1 9 PRO CA 1 9 PRO C -84.00 -46.00 -65.68 -68.04 -62.96 . . 0 "[ . 1 . 2 ]"
5 . 1 9 PRO C 1 10 GLY N 1 10 GLY CA 1 10 GLY C 60.00 108.00 105.47 99.99 109.27 1.27 16 0 "[ . 1 . 2 ]"
6 . 1 10 GLY C 1 11 MET N 1 11 MET CA 1 11 MET C -108.00 -64.00 -87.34 -86.79 -87.40 . . 0 "[ . 1 . 2 ]"
7 . 1 11 MET C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -115.00 -67.00 -75.46 -75.30 -76.33 . . 0 "[ . 1 . 2 ]"
8 . 1 12 ARG C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -156.00 -114.00 -128.32 -126.97 -127.61 . . 0 "[ . 1 . 2 ]"
9 . 1 13 VAL C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -141.00 -107.00 -106.06 -106.54 -110.35 1.91 4 0 "[ . 1 . 2 ]"
10 . 1 14 LEU C 1 15 THR N 1 15 THR CA 1 15 THR C -131.00 -87.00 -106.65 -110.27 -112.29 . . 0 "[ . 1 . 2 ]"
11 . 1 15 THR C 1 16 LYS N 1 16 LYS CA 1 16 LYS C -140.00 -66.00 -80.32 -82.99 -84.41 . . 0 "[ . 1 . 2 ]"
12 . 1 16 LYS C 1 17 MET N 1 17 MET CA 1 17 MET C -139.00 -89.00 -125.41 -133.23 -118.27 . . 0 "[ . 1 . 2 ]"
13 . 1 17 MET C 1 18 SER N 1 18 SER CA 1 18 SER C -78.00 -46.00 -54.75 -57.89 -53.09 . . 0 "[ . 1 . 2 ]"
14 . 1 18 SER C 1 19 GLY N 1 19 GLY CA 1 19 GLY C 67.00 99.00 65.54 64.23 66.70 2.77 23 0 "[ . 1 . 2 ]"
15 . 1 19 GLY C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -135.00 -83.00 -131.03 -124.06 -126.55 0.30 17 0 "[ . 1 . 2 ]"
16 . 1 20 PHE C 1 21 PRO N 1 21 PRO CA 1 21 PRO C -89.00 -45.00 -66.39 -69.64 -64.42 . . 0 "[ . 1 . 2 ]"
17 . 1 21 PRO C 1 22 TRP N 1 22 TRP CA 1 22 TRP C -85.00 -53.00 -50.26 -52.01 -49.23 3.77 15 0 "[ . 1 . 2 ]"
18 . 1 22 TRP C 1 23 TRP N 1 23 TRP CA 1 23 TRP C -140.00 -80.00 -105.15 -108.04 -101.80 . . 0 "[ . 1 . 2 ]"
19 . 1 23 TRP C 1 24 PRO N 1 24 PRO CA 1 24 PRO C -123.00 -45.00 -66.27 -68.81 -63.37 . . 0 "[ . 1 . 2 ]"
20 . 1 24 PRO C 1 25 SER N 1 25 SER CA 1 25 SER C -139.00 -69.00 -138.02 -135.25 -137.49 1.39 18 0 "[ . 1 . 2 ]"
21 . 1 25 SER C 1 26 MET N 1 26 MET CA 1 26 MET C -158.00 -102.00 -108.42 -104.57 -104.77 0.14 4 0 "[ . 1 . 2 ]"
22 . 1 26 MET C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -119.00 -73.00 -73.08 -76.55 -71.76 1.24 1 0 "[ . 1 . 2 ]"
23 . 1 27 VAL C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -149.00 -105.00 -115.40 -113.43 -115.89 . . 0 "[ . 1 . 2 ]"
24 . 1 28 VAL C 1 29 THR N 1 29 THR CA 1 29 THR C -135.00 -55.00 -130.61 -130.35 -132.71 0.32 15 0 "[ . 1 . 2 ]"
25 . 1 29 THR C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -76.00 -50.00 -51.28 -56.23 -48.70 1.30 17 0 "[ . 1 . 2 ]"
26 . 1 30 GLU C 1 31 SER N 1 31 SER CA 1 31 SER C -94.00 -60.00 -69.70 -84.89 -59.88 0.12 20 0 "[ . 1 . 2 ]"
27 . 1 31 SER C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -122.00 -66.00 -98.15 -101.48 -103.01 . . 0 "[ . 1 . 2 ]"
28 . 1 32 LYS C 1 33 MET N 1 33 MET CA 1 33 MET C -130.00 -54.00 -83.76 -85.18 -88.86 . . 0 "[ . 1 . 2 ]"
29 . 1 34 THR C 1 35 SER N 1 35 SER CA 1 35 SER C -115.00 -69.00 -74.52 -72.02 -74.80 0.76 16 0 "[ . 1 . 2 ]"
30 . 1 35 SER C 1 36 VAL N 1 36 VAL CA 1 36 VAL C -93.00 -49.00 -58.39 -61.91 -63.45 0.62 19 0 "[ . 1 . 2 ]"
31 . 1 36 VAL C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -75.00 -53.00 -72.52 -74.28 -74.53 0.47 7 0 "[ . 1 . 2 ]"
32 . 1 37 ALA C 1 38 ARG N 1 38 ARG CA 1 38 ARG C -78.00 -52.00 -62.06 -69.33 -72.71 0.41 23 0 "[ . 1 . 2 ]"
33 . 1 38 ARG C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -105.00 -61.00 -71.16 -83.53 -61.09 . . 0 "[ . 1 . 2 ]"
34 . 1 39 LYS C 1 40 SER N 1 40 SER CA 1 40 SER C -98.00 -62.00 -94.31 -98.46 -80.65 0.46 8 0 "[ . 1 . 2 ]"
35 . 1 40 SER C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -120.00 -50.00 -54.24 -50.85 -51.66 1.00 16 0 "[ . 1 . 2 ]"
36 . 1 41 LYS C 1 42 PRO N 1 42 PRO CA 1 42 PRO C -95.00 -51.00 -77.47 -87.79 -69.88 . . 0 "[ . 1 . 2 ]"
37 . 1 43 LYS C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -140.00 -74.00 -98.30 -71.02 -78.82 3.12 8 0 "[ . 1 . 2 ]"
38 . 1 44 ARG C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -117.00 -39.00 -70.67 -108.22 -55.08 . . 0 "[ . 1 . 2 ]"
39 . 1 46 GLY C 1 47 THR N 1 47 THR CA 1 47 THR C -124.00 -78.00 -81.24 -90.73 -77.08 0.92 22 0 "[ . 1 . 2 ]"
40 . 1 47 THR C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -134.00 -80.00 -94.46 -127.23 -82.76 . . 0 "[ . 1 . 2 ]"
41 . 1 48 PHE C 1 49 TYR N 1 49 TYR CA 1 49 TYR C -143.00 -97.00 -98.36 -104.22 -96.16 0.84 10 0 "[ . 1 . 2 ]"
42 . 1 49 TYR C 1 50 PRO N 1 50 PRO CA 1 50 PRO C -143.00 -71.00 -75.46 -74.10 -74.49 . . 0 "[ . 1 . 2 ]"
43 . 1 50 PRO C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -149.00 -109.00 -121.27 -117.40 -118.82 . . 0 "[ . 1 . 2 ]"
44 . 1 51 VAL C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -149.00 -105.00 -104.00 -104.58 -103.32 1.68 9 0 "[ . 1 . 2 ]"
45 . 1 52 ILE C 1 53 PHE N 1 53 PHE CA 1 53 PHE C -111.00 -75.00 -93.58 -93.92 -94.41 . . 0 "[ . 1 . 2 ]"
46 . 1 53 PHE C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -157.00 -101.00 -99.90 -100.73 -98.99 2.01 18 0 "[ . 1 . 2 ]"
47 . 1 58 GLU C 1 59 TYR N 1 59 TYR CA 1 59 TYR C -145.00 -87.00 -139.74 -142.12 -143.14 0.64 15 0 "[ . 1 . 2 ]"
48 . 1 59 TYR C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -158.00 -116.00 -131.91 -131.39 -132.45 . . 0 "[ . 1 . 2 ]"
49 . 1 60 LEU C 1 61 TRP N 1 61 TRP CA 1 61 TRP C -120.00 -82.00 -101.92 -105.17 -106.91 . . 0 "[ . 1 . 2 ]"
50 . 1 61 TRP C 1 62 THR N 1 62 THR CA 1 62 THR C -142.00 -86.00 -123.27 -131.74 -117.51 . . 0 "[ . 1 . 2 ]"
51 . 1 62 THR C 1 63 GLY N 1 63 GLY CA 1 63 GLY C -113.00 -75.00 -75.49 -81.16 -73.58 1.42 20 0 "[ . 1 . 2 ]"
52 . 1 63 GLY C 1 64 SER N 1 64 SER CA 1 64 SER C -78.00 -50.00 -58.87 -70.43 -49.83 0.17 22 0 "[ . 1 . 2 ]"
53 . 1 64 SER C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -91.00 -55.00 -55.67 -57.54 -53.54 1.46 10 0 "[ . 1 . 2 ]"
54 . 1 65 ASP C 1 66 SER N 1 66 SER CA 1 66 SER C -95.00 -43.00 -84.22 -95.44 -80.63 0.44 20 0 "[ . 1 . 2 ]"
55 . 1 67 LEU C 1 68 THR N 1 68 THR CA 1 68 THR C -146.00 -94.00 -130.53 -129.46 -131.45 0.44 20 0 "[ . 1 . 2 ]"
56 . 1 68 THR C 1 69 PRO N 1 69 PRO CA 1 69 PRO C -101.00 -55.00 -70.91 -74.13 -67.04 . . 0 "[ . 1 . 2 ]"
57 . 1 69 PRO C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -133.00 -77.00 -111.12 -104.98 -106.90 . . 0 "[ . 1 . 2 ]"
58 . 1 70 LEU C 1 71 THR N 1 71 THR CA 1 71 THR C -146.00 -80.00 -100.17 -79.85 -81.10 0.40 8 0 "[ . 1 . 2 ]"
59 . 1 71 THR C 1 72 SER N 1 72 SER CA 1 72 SER C -80.00 -50.00 -63.14 -68.96 -57.81 . . 0 "[ . 1 . 2 ]"
60 . 1 72 SER C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -78.00 -56.00 -61.49 -67.87 -56.03 . . 0 "[ . 1 . 2 ]"
61 . 1 73 GLU C 1 74 ALA N 1 74 ALA CA 1 74 ALA C -76.00 -54.00 -60.24 -66.72 -54.12 . . 0 "[ . 1 . 2 ]"
62 . 1 74 ALA C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -78.00 -52.00 -58.00 -59.40 -60.41 . . 0 "[ . 1 . 2 ]"
63 . 1 75 ILE C 1 76 SER N 1 76 SER CA 1 76 SER C -76.00 -54.00 -59.41 -60.14 -60.83 . . 0 "[ . 1 . 2 ]"
64 . 1 76 SER C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -79.00 -55.00 -54.47 -54.41 -54.41 1.14 12 0 "[ . 1 . 2 ]"
65 . 1 77 GLN C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -73.00 -55.00 -64.65 -72.30 -59.23 . . 0 "[ . 1 . 2 ]"
66 . 1 78 PHE C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -78.00 -52.00 -50.89 -51.52 -50.46 1.54 13 0 "[ . 1 . 2 ]"
67 . 1 79 LEU C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -94.00 -62.00 -61.61 -61.72 -61.74 0.95 17 0 "[ . 1 . 2 ]"
68 . 1 80 GLU C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -139.00 -81.00 -140.29 -140.66 -140.70 2.12 19 0 "[ . 1 . 2 ]"
69 . 1 81 LYS C 1 82 PRO N 1 82 PRO CA 1 82 PRO C -106.00 -38.00 -93.13 -95.30 -90.85 . . 0 "[ . 1 . 2 ]"
70 . 1 82 PRO C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -156.00 -70.00 -157.09 -157.52 -156.49 1.52 13 0 "[ . 1 . 2 ]"
71 . 1 84 PRO C 1 85 LYS N 1 85 LYS CA 1 85 LYS C -122.00 -70.00 -91.21 -89.40 -90.37 . . 0 "[ . 1 . 2 ]"
72 . 1 85 LYS C 1 86 THR N 1 86 THR CA 1 86 THR C -114.00 -76.00 -117.28 -116.80 -117.11 4.60 5 0 "[ . 1 . 2 ]"
73 . 1 86 THR C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -75.00 -51.00 -50.53 -49.23 -49.46 1.77 2 0 "[ . 1 . 2 ]"
74 . 1 87 ALA C 1 88 SER N 1 88 SER CA 1 88 SER C -77.00 -55.00 -69.34 -67.08 -67.14 . . 0 "[ . 1 . 2 ]"
75 . 1 88 SER C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -75.00 -51.00 -65.15 -73.46 -60.20 . . 0 "[ . 1 . 2 ]"
76 . 1 89 LEU C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -82.00 -52.00 -55.27 -51.84 -51.88 0.21 2 0 "[ . 1 . 2 ]"
77 . 1 90 ILE C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -75.00 -53.00 -73.24 -75.58 -68.44 0.58 19 0 "[ . 1 . 2 ]"
78 . 1 91 LYS C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -76.00 -54.00 -67.47 -63.69 -64.70 . . 0 "[ . 1 . 2 ]"
79 . 1 92 ALA C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -79.00 -53.00 -71.98 -78.39 -65.47 . . 0 "[ . 1 . 2 ]"
80 . 1 93 TYR C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -76.00 -56.00 -60.39 -66.39 -66.61 2.04 17 0 "[ . 1 . 2 ]"
81 . 1 94 LYS C 1 95 MET N 1 95 MET CA 1 95 MET C -82.00 -56.00 -81.14 -84.30 -66.40 2.30 17 0 "[ . 1 . 2 ]"
82 . 1 95 MET C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -80.00 -54.00 -66.79 -69.23 -73.18 . . 0 "[ . 1 . 2 ]"
83 . 1 96 ALA C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -88.00 -54.00 -62.38 -59.86 -60.35 . . 0 "[ . 1 . 2 ]"
84 . 1 98 SER C 1 99 THR N 1 99 THR CA 1 99 THR C -132.00 -78.00 -89.37 -109.48 -77.61 0.39 12 0 "[ . 1 . 2 ]"
85 . 1 101 ASP C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -75.00 -49.00 -65.85 -67.99 -69.30 0.64 12 0 "[ . 1 . 2 ]"
86 . 1 102 LEU C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -81.00 -55.00 -59.73 -60.47 -62.66 0.54 10 0 "[ . 1 . 2 ]"
87 . 1 103 ASP C 1 104 SER N 1 104 SER CA 1 104 SER C -111.00 -79.00 -96.10 -111.81 -78.58 0.81 13 0 "[ . 1 . 2 ]"
88 . 1 104 SER C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -110.00 -52.00 -68.47 -86.60 -55.08 . . 0 "[ . 1 . 2 ]"
89 . 1 105 LEU C 1 106 SER N 1 106 SER CA 1 106 SER C -137.00 -73.00 -117.66 -137.37 -81.15 0.37 10 0 "[ . 1 . 2 ]"
90 . 1 106 SER C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -132.00 -76.00 -96.61 -92.68 -102.32 0.43 8 0 "[ . 1 . 2 ]"
91 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 ASN N 99.00 153.00 135.93 108.50 153.06 0.06 8 0 "[ . 1 . 2 ]"
92 . 1 6 ASN N 1 6 ASN CA 1 6 ASN C 1 7 TYR N 102.00 158.00 104.41 99.94 114.33 2.06 19 0 "[ . 1 . 2 ]"
93 . 1 8 LYS N 1 8 LYS CA 1 8 LYS C 1 9 PRO N 106.00 160.00 161.71 160.34 162.76 2.76 13 0 "[ . 1 . 2 ]"
94 . 1 9 PRO N 1 9 PRO CA 1 9 PRO C 1 10 GLY N 118.00 154.00 117.85 117.71 117.57 1.07 19 0 "[ . 1 . 2 ]"
95 . 1 10 GLY N 1 10 GLY CA 1 10 GLY C 1 11 MET N -3.00 25.00 -2.50 -3.92 1.39 0.92 2 0 "[ . 1 . 2 ]"
96 . 1 11 MET N 1 11 MET CA 1 11 MET C 1 12 ARG N 107.00 153.00 127.93 123.22 132.99 . . 0 "[ . 1 . 2 ]"
97 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 VAL N 118.00 158.00 118.26 117.23 122.67 0.77 5 0 "[ . 1 . 2 ]"
98 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 LEU N 139.00 177.00 169.12 163.54 172.39 . . 0 "[ . 1 . 2 ]"
99 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 THR N 111.00 161.00 124.29 116.75 132.71 . . 0 "[ . 1 . 2 ]"
100 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 LYS N 105.00 139.00 111.96 106.67 115.76 . . 0 "[ . 1 . 2 ]"
101 . 1 16 LYS N 1 16 LYS CA 1 16 LYS C 1 17 MET N 93.00 137.00 136.45 131.31 138.48 1.48 1 0 "[ . 1 . 2 ]"
102 . 1 17 MET N 1 17 MET CA 1 17 MET C 1 18 SER N 103.00 175.00 162.53 169.29 167.49 . . 0 "[ . 1 . 2 ]"
103 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 GLY N 124.00 152.00 122.92 121.80 124.13 2.20 10 0 "[ . 1 . 2 ]"
104 . 1 19 GLY N 1 19 GLY CA 1 19 GLY C 1 20 PHE N -21.00 19.00 16.16 9.93 19.48 0.48 8 0 "[ . 1 . 2 ]"
105 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 PRO N 103.00 157.00 129.92 130.02 129.24 . . 0 "[ . 1 . 2 ]"
106 . 1 21 PRO N 1 21 PRO CA 1 21 PRO C 1 22 TRP N 116.00 156.00 158.18 156.97 158.92 2.92 8 0 "[ . 1 . 2 ]"
107 . 1 22 TRP N 1 22 TRP CA 1 22 TRP C 1 23 TRP N 126.00 154.00 124.78 124.57 124.44 1.87 5 0 "[ . 1 . 2 ]"
108 . 1 23 TRP N 1 23 TRP CA 1 23 TRP C 1 24 PRO N 97.00 165.00 142.60 139.91 145.87 . . 0 "[ . 1 . 2 ]"
109 . 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 SER N 85.00 165.00 105.08 98.05 107.94 . . 0 "[ . 1 . 2 ]"
110 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 MET N 105.00 -179.00 149.11 149.47 148.65 . . 0 "[ . 1 . 2 ]"
111 . 1 26 MET N 1 26 MET CA 1 26 MET C 1 27 VAL N 100.00 156.00 145.05 141.34 148.37 . . 0 "[ . 1 . 2 ]"
112 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 VAL N 108.00 136.00 114.72 107.27 123.84 0.73 2 0 "[ . 1 . 2 ]"
113 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 THR N 147.00 -169.00 -168.54 -170.94 -167.51 1.49 18 0 "[ . 1 . 2 ]"
114 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 GLU N 137.00 179.00 157.53 159.38 158.07 . . 0 "[ . 1 . 2 ]"
115 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 SER N -49.00 -19.00 -22.50 -19.12 -20.20 0.25 2 0 "[ . 1 . 2 ]"
116 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 LYS N -34.00 -6.00 -25.12 -19.95 -23.97 1.81 17 0 "[ . 1 . 2 ]"
117 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 MET N -35.00 5.00 -22.38 -35.40 3.80 0.40 5 0 "[ . 1 . 2 ]"
118 . 1 33 MET N 1 33 MET CA 1 33 MET C 1 34 THR N 92.00 152.00 128.63 126.08 123.07 0.12 11 0 "[ . 1 . 2 ]"
119 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 VAL N -27.00 27.00 -25.69 -26.72 -26.96 0.50 18 0 "[ . 1 . 2 ]"
120 . 1 36 VAL N 1 36 VAL CA 1 36 VAL C 1 37 ALA N -53.00 -23.00 -47.12 -44.12 -45.13 0.29 20 0 "[ . 1 . 2 ]"
121 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 ARG N -53.00 -29.00 -36.12 -30.07 -30.69 . . 0 "[ . 1 . 2 ]"
122 . 1 38 ARG N 1 38 ARG CA 1 38 ARG C 1 39 LYS N -52.00 -16.00 -30.71 -24.51 -25.97 . . 0 "[ . 1 . 2 ]"
123 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 SER N -28.00 18.00 -23.62 -19.22 -20.85 0.32 7 0 "[ . 1 . 2 ]"
124 . 1 40 SER N 1 40 SER CA 1 40 SER C 1 41 LYS N -56.00 6.00 1.82 -1.28 -1.63 0.71 16 0 "[ . 1 . 2 ]"
125 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 PRO N 83.00 149.00 132.37 131.15 125.82 0.56 16 0 "[ . 1 . 2 ]"
126 . 1 42 PRO N 1 42 PRO CA 1 42 PRO C 1 43 LYS N 123.00 155.00 144.49 139.68 154.13 . . 0 "[ . 1 . 2 ]"
127 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 ALA N 122.00 174.00 175.20 178.32 176.43 4.35 2 0 "[ . 1 . 2 ]"
128 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 GLY N 88.00 148.00 148.08 149.17 148.93 1.33 8 0 "[ . 1 . 2 ]"
129 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 PHE N 93.00 149.00 115.59 104.60 144.36 . . 0 "[ . 1 . 2 ]"
130 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 TYR N 130.00 166.00 142.85 131.42 154.47 . . 0 "[ . 1 . 2 ]"
131 . 1 49 TYR N 1 49 TYR CA 1 49 TYR C 1 50 PRO N 102.00 160.00 120.66 112.46 129.02 . . 0 "[ . 1 . 2 ]"
132 . 1 50 PRO N 1 50 PRO CA 1 50 PRO C 1 51 VAL N 121.00 169.00 119.39 118.43 120.45 2.57 8 0 "[ . 1 . 2 ]"
133 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 ILE N 135.00 177.00 165.61 160.93 168.92 . . 0 "[ . 1 . 2 ]"
134 . 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 PHE N 129.00 173.00 127.46 126.46 128.59 2.54 21 0 "[ . 1 . 2 ]"
135 . 1 53 PHE N 1 53 PHE CA 1 53 PHE C 1 54 PHE N 106.00 146.00 140.57 139.16 138.66 . . 0 "[ . 1 . 2 ]"
136 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 PRO N 116.00 180.00 145.27 139.98 161.48 . . 0 "[ . 1 . 2 ]"
137 . 1 59 TYR N 1 59 TYR CA 1 59 TYR C 1 60 LEU N 128.00 160.00 128.40 127.83 127.72 0.99 22 0 "[ . 1 . 2 ]"
138 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 TRP N 138.00 166.00 145.45 141.75 148.71 . . 0 "[ . 1 . 2 ]"
139 . 1 61 TRP N 1 61 TRP CA 1 61 TRP C 1 62 THR N 94.00 140.00 101.20 99.49 98.01 0.10 22 0 "[ . 1 . 2 ]"
140 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 GLY N 109.00 157.00 142.79 136.96 148.94 . . 0 "[ . 1 . 2 ]"
141 . 1 63 GLY N 1 63 GLY CA 1 63 GLY C 1 64 SER N 123.00 -169.00 163.43 173.57 169.87 . . 0 "[ . 1 . 2 ]"
142 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 ASP N -44.00 -14.00 -25.49 -30.36 -20.63 . . 0 "[ . 1 . 2 ]"
143 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 SER N -57.00 -9.00 -56.24 -57.90 -47.36 0.90 22 0 "[ . 1 . 2 ]"
144 . 1 66 SER N 1 66 SER CA 1 66 SER C 1 67 LEU N -66.00 10.00 10.66 10.04 11.65 1.65 10 0 "[ . 1 . 2 ]"
145 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 PRO N 120.00 156.00 153.89 150.14 156.35 0.35 19 0 "[ . 1 . 2 ]"
146 . 1 69 PRO N 1 69 PRO CA 1 69 PRO C 1 70 LEU N 100.00 146.00 129.47 118.59 138.90 . . 0 "[ . 1 . 2 ]"
147 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 THR N 91.00 151.00 123.69 98.95 144.71 . . 0 "[ . 1 . 2 ]"
148 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 SER N 128.00 -172.00 160.85 150.78 168.53 . . 0 "[ . 1 . 2 ]"
149 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 GLU N -48.00 -20.00 -35.55 -36.93 -37.65 . . 0 "[ . 1 . 2 ]"
150 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 ALA N -55.00 -27.00 -49.20 -42.88 -44.41 . . 0 "[ . 1 . 2 ]"
151 . 1 74 ALA N 1 74 ALA CA 1 74 ALA C 1 75 ILE N -50.00 -30.00 -41.67 -48.34 -35.56 . . 0 "[ . 1 . 2 ]"
152 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 SER N -51.00 -29.00 -51.97 -54.61 -50.95 3.61 17 0 "[ . 1 . 2 ]"
153 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 GLN N -47.00 -25.00 -41.60 -45.04 -37.84 . . 0 "[ . 1 . 2 ]"
154 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 PHE N -51.00 -29.00 -42.37 -40.67 -41.14 . . 0 "[ . 1 . 2 ]"
155 . 1 78 PHE N 1 78 PHE CA 1 78 PHE C 1 79 LEU N -51.00 -23.00 -44.93 -44.32 -44.61 . . 0 "[ . 1 . 2 ]"
156 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 GLU N -53.00 -17.00 -46.11 -47.45 -43.16 . . 0 "[ . 1 . 2 ]"
157 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 LYS N -42.00 -8.00 -42.85 -43.47 -44.05 2.05 1 0 "[ . 1 . 2 ]"
158 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 PRO N 112.00 180.00 108.90 109.48 109.29 3.47 19 0 "[ . 1 . 2 ]"
159 . 1 82 PRO N 1 82 PRO CA 1 82 PRO C 1 83 LYS N 108.00 158.00 146.41 142.90 151.23 . . 0 "[ . 1 . 2 ]"
160 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 PRO N 130.00 160.00 131.73 133.47 132.86 1.29 6 0 "[ . 1 . 2 ]"
161 . 1 85 LYS N 1 85 LYS CA 1 85 LYS C 1 86 THR N 87.00 151.00 83.42 84.27 84.02 4.91 9 0 "[ . 1 . 2 ]"
162 . 1 86 THR N 1 86 THR CA 1 86 THR C 1 87 ALA N 109.00 173.00 112.12 108.62 126.46 0.38 4 0 "[ . 1 . 2 ]"
163 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 SER N -48.00 -20.00 -32.91 -44.39 -24.18 . . 0 "[ . 1 . 2 ]"
164 . 1 88 SER N 1 88 SER CA 1 88 SER C 1 89 LEU N -48.00 -24.00 -47.74 -40.86 -47.30 0.90 21 0 "[ . 1 . 2 ]"
165 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 ILE N -57.00 -33.00 -47.35 -54.56 -37.09 . . 0 "[ . 1 . 2 ]"
166 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 LYS N -53.00 -27.00 -38.75 -40.85 -41.51 . . 0 "[ . 1 . 2 ]"
167 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 ALA N -50.00 -26.00 -25.56 -27.67 -24.85 1.15 19 0 "[ . 1 . 2 ]"
168 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 TYR N -55.00 -33.00 -46.86 -49.57 -51.35 . . 0 "[ . 1 . 2 ]"
169 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 LYS N -57.00 -27.00 -43.52 -49.22 -36.01 . . 0 "[ . 1 . 2 ]"
170 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 MET N -52.00 -20.00 -38.32 -40.39 -41.13 . . 0 "[ . 1 . 2 ]"
171 . 1 95 MET N 1 95 MET CA 1 95 MET C 1 96 ALA N -49.00 -27.00 -41.23 -46.37 -34.68 . . 0 "[ . 1 . 2 ]"
172 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 GLN N -48.00 -26.00 -31.61 -32.90 -33.42 2.03 17 0 "[ . 1 . 2 ]"
173 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 SER N -47.00 -3.00 -34.20 -47.30 -12.08 0.30 9 0 "[ . 1 . 2 ]"
174 . 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 PRO N 103.00 155.00 113.90 102.35 125.23 0.65 20 0 "[ . 1 . 2 ]"
175 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 ASP N -43.00 -15.00 -35.37 -34.68 -34.97 0.44 17 0 "[ . 1 . 2 ]"
176 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 SER N -38.00 -6.00 -18.48 -32.16 -9.98 . . 0 "[ . 1 . 2 ]"
177 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 LEU N -25.00 21.00 -23.10 -25.51 -7.76 0.51 16 0 "[ . 1 . 2 ]"
178 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 SER N 108.00 170.00 163.87 162.27 161.10 . . 0 "[ . 1 . 2 ]"
179 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 VAL N 82.00 150.00 119.18 134.02 130.33 . . 0 "[ . 1 . 2 ]"
180 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 PRO N 88.00 146.00 133.77 146.56 146.19 0.63 8 0 "[ . 1 . 2 ]"
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