NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376082 |
1faf   |
4403 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1faf
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 160
_TA_constraint_stats_list.Viol_count 597
_TA_constraint_stats_list.Viol_total 20294.50
_TA_constraint_stats_list.Viol_max 3.82
_TA_constraint_stats_list.Viol_rms 0.29
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 0.72
_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 MET C 1 2 ASP N 1 2 ASP CA 1 2 ASP C -178.00 -32.00 -83.07 -171.08 -50.68 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
2 . 1 2 ASP C 1 3 ARG N 1 3 ARG CA 1 3 ARG C -146.40 -55.60 -114.78 -147.15 -88.84 0.75 6 0 "[ . 1 . 2 . 3 . 4 . ]"
3 . 1 3 ARG C 1 4 VAL N 1 4 VAL CA 1 4 VAL C -140.00 -68.00 -127.62 -139.44 -69.87 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
4 . 1 4 VAL C 1 5 LEU N 1 5 LEU CA 1 5 LEU C -90.00 -40.00 -86.54 -71.46 -77.98 0.69 5 0 "[ . 1 . 2 . 3 . 4 . ]"
5 . 1 5 LEU C 1 6 SER N 1 6 SER CA 1 6 SER C -90.00 -40.00 -86.69 -90.77 -64.12 0.77 3 0 "[ . 1 . 2 . 3 . 4 . ]"
6 . 1 6 SER C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -87.00 -37.00 -57.38 -64.44 -50.27 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
7 . 1 7 ARG C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -90.00 -40.00 -67.44 -76.54 -58.14 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
8 . 1 8 ALA C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -90.00 -40.00 -69.84 -89.77 -58.12 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
9 . 1 9 ASP C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -90.00 -40.00 -58.12 -60.21 -60.40 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
10 . 1 10 LYS C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -90.00 -40.00 -67.69 -73.48 -61.55 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
11 . 1 11 GLU C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -90.00 -40.00 -69.85 -60.86 -61.82 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
12 . 1 12 ARG C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -90.00 -40.00 -64.19 -65.32 -65.71 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
13 . 1 13 LEU C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -90.00 -40.00 -69.22 -68.86 -69.25 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
14 . 1 14 LEU C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -90.00 -40.00 -55.83 -56.64 -56.88 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
15 . 1 15 GLU C 1 16 LEU N 1 16 LEU CA 1 16 LEU C -90.00 -40.00 -79.06 -77.71 -78.39 0.11 30 0 "[ . 1 . 2 . 3 . 4 . ]"
16 . 1 16 LEU C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -90.00 -40.00 -88.99 -90.57 -78.19 0.57 40 0 "[ . 1 . 2 . 3 . 4 . ]"
17 . 1 17 LEU C 1 18 LYS N 1 18 LYS CA 1 18 LYS C 34.00 84.00 53.92 48.98 56.03 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
18 . 1 18 LYS C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -166.00 -76.00 -110.28 -114.60 -99.90 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
19 . 1 19 LEU C 1 20 PRO N 1 20 PRO CA 1 20 PRO C -131.00 -17.00 -47.94 -46.55 -46.63 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
20 . 1 20 PRO C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -90.00 -40.00 -89.06 -90.33 -90.38 0.68 9 0 "[ . 1 . 2 . 3 . 4 . ]"
21 . 1 21 ARG C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -90.00 -40.00 -74.40 -85.49 -51.91 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
22 . 1 23 LEU C 1 24 TRP N 1 24 TRP CA 1 24 TRP C -90.00 -40.00 -53.20 -58.24 -44.68 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
23 . 1 23 LEU C 1 24 TRP N 1 24 TRP CA 1 24 TRP C -102.00 -18.00 -53.20 -58.24 -44.68 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
24 . 1 25 GLY C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -144.00 -46.00 -77.16 -77.26 -78.10 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
25 . 1 26 ASP C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -90.00 -40.00 -51.58 -82.52 -42.06 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
26 . 1 27 PHE C 1 28 GLY N 1 28 GLY CA 1 28 GLY C -86.00 -36.00 -63.67 -73.37 -54.75 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
27 . 1 28 GLY C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -90.00 -40.00 -79.85 -87.11 -71.50 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
28 . 1 29 ARG C 1 30 MET N 1 30 MET CA 1 30 MET C -90.00 -40.00 -63.21 -79.15 -56.17 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
29 . 1 30 MET C 1 31 GLN N 1 31 GLN CA 1 31 GLN C -90.00 -40.00 -63.57 -71.27 -56.35 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
30 . 1 31 GLN C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -90.00 -40.00 -60.52 -59.45 -59.91 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
31 . 1 32 GLN C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -90.00 -40.00 -75.83 -75.53 -76.47 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
32 . 1 33 ALA C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -90.00 -40.00 -54.90 -58.06 -60.48 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
33 . 1 34 TYR C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -90.00 -40.00 -70.22 -80.35 -61.44 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
34 . 1 35 LYS C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -90.00 -40.00 -65.97 -76.42 -58.40 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
35 . 1 36 GLN C 1 37 GLN N 1 37 GLN CA 1 37 GLN C -90.00 -40.00 -84.85 -90.26 -60.13 0.26 41 0 "[ . 1 . 2 . 3 . 4 . ]"
36 . 1 37 GLN C 1 38 SER N 1 38 SER CA 1 38 SER C -90.00 -40.00 -70.31 -73.74 -75.27 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
37 . 1 38 SER C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -90.00 -40.00 -71.31 -75.62 -77.21 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
38 . 1 39 LEU C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -90.00 -40.00 -85.28 -86.22 -87.08 0.16 34 0 "[ . 1 . 2 . 3 . 4 . ]"
39 . 1 40 LEU C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -95.00 -35.00 -94.47 -95.72 -88.22 0.72 33 0 "[ . 1 . 2 . 3 . 4 . ]"
40 . 1 41 LEU C 1 42 HIS N 1 42 HIS CA 1 42 HIS C -90.00 -40.00 -80.06 -90.18 -56.60 0.18 34 0 "[ . 1 . 2 . 3 . 4 . ]"
41 . 1 42 HIS C 1 43 PRO N 1 43 PRO CA 1 43 PRO C -94.00 -34.00 -53.91 -43.59 -43.74 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
42 . 1 43 PRO C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -140.00 -18.00 -81.45 -64.70 -65.42 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
43 . 1 44 ASP C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -124.00 -58.00 -109.08 -111.81 -112.50 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
44 . 1 47 GLY C 1 48 SER N 1 48 SER CA 1 48 SER C -90.00 -40.00 -89.84 -90.54 -82.27 0.54 19 0 "[ . 1 . 2 . 3 . 4 . ]"
45 . 1 48 SER C 1 49 HIS N 1 49 HIS CA 1 49 HIS C -83.00 -33.00 -78.55 -80.56 -81.27 0.32 18 0 "[ . 1 . 2 . 3 . 4 . ]"
46 . 1 49 HIS C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -89.00 -39.00 -62.42 -58.68 -58.70 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
47 . 1 50 ALA C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -90.00 -40.00 -73.30 -82.68 -83.95 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
48 . 1 51 LEU C 1 52 MET N 1 52 MET CA 1 52 MET C -90.00 -40.00 -56.78 -56.68 -56.99 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
49 . 1 52 MET C 1 53 GLN N 1 53 GLN CA 1 53 GLN C -90.00 -40.00 -72.68 -70.00 -71.46 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
50 . 1 53 GLN C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -90.00 -40.00 -66.56 -66.93 -68.58 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
51 . 1 54 GLU C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -90.00 -40.00 -62.75 -70.11 -70.96 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
52 . 1 55 LEU C 1 56 ASN N 1 56 ASN CA 1 56 ASN C -90.00 -40.00 -61.19 -69.94 -55.55 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
53 . 1 56 ASN C 1 57 SER N 1 57 SER CA 1 57 SER C -90.00 -40.00 -72.87 -77.35 -78.04 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
54 . 1 57 SER C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -90.00 -40.00 -78.38 -89.84 -62.39 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
55 . 1 58 LEU C 1 59 TRP N 1 59 TRP CA 1 59 TRP C -90.00 -40.00 -88.90 -90.30 -90.40 0.87 34 0 "[ . 1 . 2 . 3 . 4 . ]"
56 . 1 59 TRP C 1 60 GLY N 1 60 GLY CA 1 60 GLY C -90.00 -40.00 -74.53 -85.58 -67.71 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
57 . 1 60 GLY C 1 61 THR N 1 61 THR CA 1 61 THR C -90.00 -40.00 -53.84 -58.54 -49.90 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
58 . 1 61 THR C 1 62 PHE N 1 62 PHE CA 1 62 PHE C -90.00 -40.00 -45.09 -49.88 -42.76 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
59 . 1 62 PHE C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -90.00 -40.00 -55.84 -52.08 -53.20 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
60 . 1 63 LYS C 1 64 THR N 1 64 THR CA 1 64 THR C -92.00 -42.00 -48.83 -54.46 -45.81 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
61 . 1 64 THR C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -85.00 -35.00 -85.20 -84.96 -85.12 0.73 27 0 "[ . 1 . 2 . 3 . 4 . ]"
62 . 1 65 GLU C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -89.00 -39.00 -55.69 -63.79 -49.02 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
63 . 1 66 VAL C 1 67 TYR N 1 67 TYR CA 1 67 TYR C -86.00 -36.00 -61.59 -69.90 -49.33 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
64 . 1 67 TYR C 1 68 ASN N 1 68 ASN CA 1 68 ASN C -90.00 -40.00 -90.28 -87.35 -88.83 1.16 36 0 "[ . 1 . 2 . 3 . 4 . ]"
65 . 1 68 ASN C 1 69 LEU N 1 69 LEU CA 1 69 LEU C -86.00 -36.00 -62.26 -72.81 -53.92 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
66 . 1 69 LEU C 1 70 ARG N 1 70 ARG CA 1 70 ARG C -99.00 -41.00 -77.20 -90.83 -68.51 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
67 . 1 70 ARG C 1 71 MET N 1 71 MET CA 1 71 MET C -129.00 -29.00 -112.02 -125.11 -96.95 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
68 . 1 71 MET C 1 72 ASN N 1 72 ASN CA 1 72 ASN C -119.00 -21.00 -77.89 -111.01 -56.86 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
69 . 1 72 ASN C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -142.00 -20.00 -108.18 -104.08 -108.53 0.97 34 0 "[ . 1 . 2 . 3 . 4 . ]"
70 . 1 75 GLY C 1 76 THR N 1 76 THR CA 1 76 THR C -124.00 -62.00 -78.10 -124.10 -62.28 0.10 25 0 "[ . 1 . 2 . 3 . 4 . ]"
71 . 1 77 GLY C 1 78 PHE N 1 78 PHE CA 1 78 PHE C -161.00 -13.00 -84.01 -157.92 -50.02 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
72 . 1 78 PHE C 1 79 GLN N 1 79 GLN CA 1 79 GLN C -158.00 -6.00 -100.74 -115.97 -123.26 0.09 25 0 "[ . 1 . 2 . 3 . 4 . ]"
73 . 1 3 ARG N 1 3 ARG CA 1 3 ARG C 1 4 VAL N 68.00 180.00 83.84 96.43 95.11 0.40 28 0 "[ . 1 . 2 . 3 . 4 . ]"
74 . 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1 5 LEU N 77.00 -175.00 125.08 117.89 137.76 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
75 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 ARG N 66.00 -130.00 -175.22 -171.57 -172.18 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
76 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 ALA N -61.00 -11.00 -35.98 -34.40 -34.83 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
77 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 ASP N -66.00 -16.00 -40.77 -34.37 -36.06 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
78 . 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 LYS N -67.00 -17.00 -54.44 -50.57 -51.44 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
79 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 GLU N -67.00 -17.00 -36.71 -28.46 -31.76 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
80 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 ARG N -65.00 -15.00 -33.81 -31.47 -31.97 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
81 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 LEU N -66.00 -16.00 -34.98 -48.13 -26.95 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
82 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 LEU N -65.00 -15.00 -34.40 -43.38 -27.50 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
83 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLU N -66.00 -16.00 -40.76 -40.80 -40.97 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
84 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 LEU N -67.00 -17.00 -43.07 -61.88 -21.97 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
85 . 1 16 LEU N 1 16 LEU CA 1 16 LEU C 1 17 LEU N -59.00 5.00 -17.84 -13.87 -14.44 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
86 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 PRO N 79.00 -165.00 110.70 111.41 111.26 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
87 . 1 20 PRO N 1 20 PRO CA 1 20 PRO C 1 21 ARG N 115.00 -177.00 169.14 164.43 -176.40 0.60 13 0 "[ . 1 . 2 . 3 . 4 . ]"
88 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 GLN N -56.00 -4.00 -8.15 -2.51 -2.80 1.49 2 0 "[ . 1 . 2 . 3 . 4 . ]"
89 . 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 LEU N -51.00 -1.00 -30.89 -26.67 -27.60 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
90 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 TRP N -59.00 45.00 12.13 10.47 10.05 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
91 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 GLY N -65.00 -15.00 -39.59 -41.73 -42.10 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
92 . 1 28 GLY N 1 28 GLY CA 1 28 GLY C 1 29 ARG N -65.00 -15.00 -35.28 -38.68 -39.72 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
93 . 1 29 ARG N 1 29 ARG CA 1 29 ARG C 1 30 MET N -64.00 -12.00 -44.85 -47.03 -48.05 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
94 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 GLN N -69.00 -19.00 -45.74 -53.47 -39.03 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
95 . 1 31 GLN N 1 31 GLN CA 1 31 GLN C 1 32 GLN N -66.00 -16.00 -38.50 -35.45 -35.92 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
96 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 ALA N -67.00 -17.00 -38.99 -50.09 -28.51 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
97 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 TYR N -67.00 -17.00 -39.54 -48.09 -28.77 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
98 . 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 LYS N -69.00 -19.00 -45.38 -55.50 -37.27 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
99 . 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 GLN N -65.00 -15.00 -36.45 -45.23 -52.63 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
100 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 GLN N -62.00 -12.00 -37.81 -55.36 -23.22 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
101 . 1 37 GLN N 1 37 GLN CA 1 37 GLN C 1 38 SER N -68.00 -18.00 -21.28 -23.49 -23.66 0.21 21 0 "[ . 1 . 2 . 3 . 4 . ]"
102 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 LEU N -65.00 -15.00 -30.25 -39.23 -22.07 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
103 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 LEU N -65.00 -15.00 -34.37 -50.35 -22.52 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
104 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LEU N -60.00 -4.00 -16.03 -28.70 -7.55 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
105 . 1 42 HIS N 1 42 HIS CA 1 42 HIS C 1 43 PRO N 46.00 -160.00 136.74 121.07 147.16 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
106 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 GLY N -23.00 31.00 30.06 30.99 30.93 0.36 8 0 "[ . 1 . 2 . 3 . 4 . ]"
107 . 1 49 HIS N 1 49 HIS CA 1 49 HIS C 1 50 ALA N -63.00 -13.00 -41.57 -63.91 -21.65 0.91 43 0 "[ . 1 . 2 . 3 . 4 . ]"
108 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 LEU N -68.00 -18.00 -28.96 -49.15 -18.72 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
109 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 MET N -64.00 -14.00 -51.17 -59.80 -48.38 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
110 . 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 GLN N -68.00 -18.00 -38.42 -52.92 -25.85 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
111 . 1 53 GLN N 1 53 GLN CA 1 53 GLN C 1 54 GLU N -67.00 -17.00 -32.51 -31.74 -32.19 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
112 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 LEU N -68.00 -18.00 -45.89 -57.23 -29.95 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
113 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 ASN N -69.00 -19.00 -42.87 -40.82 -41.56 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
114 . 1 56 ASN N 1 56 ASN CA 1 56 ASN C 1 57 SER N -68.00 -18.00 -35.36 -30.76 -31.08 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
115 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 LEU N -65.00 -15.00 -37.26 -39.13 -40.52 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
116 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 TRP N -62.00 -12.00 -27.18 -31.45 -22.24 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
117 . 1 59 TRP N 1 59 TRP CA 1 59 TRP C 1 60 GLY N -92.00 30.00 -20.51 -21.98 -23.43 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
118 . 1 60 GLY N 1 60 GLY CA 1 60 GLY C 1 61 THR N -69.00 -19.00 -62.91 -60.23 -60.74 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
119 . 1 61 THR N 1 61 THR CA 1 61 THR C 1 62 PHE N -69.00 -19.00 -49.88 -49.20 -49.37 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
120 . 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 LYS N -71.00 -21.00 -51.77 -57.47 -48.39 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
121 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 THR N -68.00 -18.00 -39.19 -46.06 -32.89 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
122 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 GLU N -67.00 -17.00 -37.81 -44.40 -35.28 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
123 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 VAL N -68.00 -18.00 -30.43 -24.45 -28.33 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
124 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 TYR N -69.00 -19.00 -43.60 -45.44 -46.69 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
125 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 ASN N -66.00 -16.00 -32.41 -40.10 -25.10 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
126 . 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 LEU N -61.00 -5.00 -19.43 -18.45 -19.51 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
127 . 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 ARG N -62.00 -12.00 -31.67 -40.42 -10.38 1.62 11 0 "[ . 1 . 2 . 3 . 4 . ]"
128 . 1 70 ARG N 1 70 ARG CA 1 70 ARG C 1 71 MET N -62.00 0.00 1.06 1.18 1.12 1.47 25 0 "[ . 1 . 2 . 3 . 4 . ]"
129 . 1 4 VAL N 1 4 VAL CA 1 4 VAL CB 1 4 VAL CG1 -92.00 -42.00 -67.09 -73.29 -63.40 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
130 . 1 5 LEU N 1 5 LEU CA 1 5 LEU CB 1 5 LEU CG 39.00 89.00 58.56 36.23 35.96 3.51 45 0 "[ . 1 . 2 . 3 . 4 . ]"
131 . 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG 39.00 89.00 62.55 55.30 53.21 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
132 . 1 9 ASP N 1 9 ASP CA 1 9 ASP CB 1 9 ASP CG -92.00 -42.00 -63.82 -47.96 -48.51 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
133 . 1 10 LYS N 1 10 LYS CA 1 10 LYS CB 1 10 LYS CG 39.00 89.00 54.48 69.54 67.04 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
134 . 1 12 ARG N 1 12 ARG CA 1 12 ARG CB 1 12 ARG CG 159.00 -151.00 -177.19 -175.97 -177.79 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
135 . 1 13 LEU N 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 159.00 -151.00 170.65 164.68 173.95 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
136 . 1 14 LEU N 1 14 LEU CA 1 14 LEU CB 1 14 LEU CG -92.00 -42.00 -83.94 -92.22 -68.85 0.22 40 0 "[ . 1 . 2 . 3 . 4 . ]"
137 . 1 16 LEU N 1 16 LEU CA 1 16 LEU CB 1 16 LEU CG -92.00 -42.00 -77.16 -85.50 -86.74 0.16 33 0 "[ . 1 . 2 . 3 . 4 . ]"
138 . 1 17 LEU N 1 17 LEU CA 1 17 LEU CB 1 17 LEU CG -92.00 -42.00 -92.64 -92.91 -92.98 1.20 26 0 "[ . 1 . 2 . 3 . 4 . ]"
139 . 1 18 LYS N 1 18 LYS CA 1 18 LYS CB 1 18 LYS CG -107.00 -27.00 -107.27 -107.76 -106.52 0.76 2 0 "[ . 1 . 2 . 3 . 4 . ]"
140 . 1 23 LEU N 1 23 LEU CA 1 23 LEU CB 1 23 LEU CG 39.00 89.00 70.98 72.69 72.63 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
141 . 1 24 TRP N 1 24 TRP CA 1 24 TRP CB 1 24 TRP CG 159.00 -151.00 172.23 171.61 171.51 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
142 . 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG 159.00 -151.00 -159.15 -170.49 -150.55 0.45 30 0 "[ . 1 . 2 . 3 . 4 . ]"
143 . 1 27 PHE N 1 27 PHE CA 1 27 PHE CB 1 27 PHE CG 159.00 -151.00 -171.06 179.89 -153.19 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
144 . 1 30 MET N 1 30 MET CA 1 30 MET CB 1 30 MET CG 39.00 89.00 52.27 49.82 48.70 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
145 . 1 31 GLN N 1 31 GLN CA 1 31 GLN CB 1 31 GLN CG 154.00 -146.00 -162.96 -179.18 -150.07 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
146 . 1 34 TYR N 1 34 TYR CA 1 34 TYR CB 1 34 TYR CG 159.00 -151.00 -179.77 -176.13 -176.86 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
147 . 1 39 LEU N 1 39 LEU CA 1 39 LEU CB 1 39 LEU CG -107.00 -27.00 -92.55 -106.33 -62.72 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
148 . 1 40 LEU N 1 40 LEU CA 1 40 LEU CB 1 40 LEU CG 34.00 94.00 59.08 58.06 55.82 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
149 . 1 41 LEU N 1 41 LEU CA 1 41 LEU CB 1 41 LEU CG -107.00 -27.00 -76.85 -92.19 -47.50 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
150 . 1 45 LYS N 1 45 LYS CA 1 45 LYS CB 1 45 LYS CG -97.00 -37.00 -59.47 -95.43 -37.70 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
151 . 1 48 SER N 1 48 SER CA 1 48 SER CB 1 48 SER OG -107.00 -27.00 -100.01 -103.66 -104.30 0.13 26 0 "[ . 1 . 2 . 3 . 4 . ]"
152 . 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG -97.00 -37.00 -94.53 -97.15 -88.44 0.15 3 0 "[ . 1 . 2 . 3 . 4 . ]"
153 . 1 51 LEU N 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG -97.00 -37.00 -94.53 -97.15 -88.44 0.15 3 0 "[ . 1 . 2 . 3 . 4 . ]"
154 . 1 55 LEU N 1 55 LEU CA 1 55 LEU CB 1 55 LEU CG 159.00 -151.00 -176.46 168.22 -150.66 0.34 45 0 "[ . 1 . 2 . 3 . 4 . ]"
155 . 1 58 LEU N 1 58 LEU CA 1 58 LEU CB 1 58 LEU CG -92.00 -42.00 -80.25 -71.58 -75.59 0.43 18 0 "[ . 1 . 2 . 3 . 4 . ]"
156 . 1 61 THR N 1 61 THR CA 1 61 THR CB 1 61 THR OG1 154.00 -146.00 -143.34 -142.26 -142.46 3.82 35 0 "[ . 1 . 2 . 3 . 4 . ]"
157 . 1 62 PHE N 1 62 PHE CA 1 62 PHE CB 1 62 PHE CG 159.00 -151.00 174.89 175.01 174.88 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
158 . 1 66 VAL N 1 66 VAL CA 1 66 VAL CB 1 66 VAL CG1 154.00 -146.00 171.98 159.09 177.70 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
159 . 1 69 LEU N 1 69 LEU CA 1 69 LEU CB 1 69 LEU CG 39.00 89.00 89.34 84.29 90.47 1.47 43 0 "[ . 1 . 2 . 3 . 4 . ]"
160 . 1 71 MET N 1 71 MET CA 1 71 MET CB 1 71 MET CG -97.00 -37.00 -72.65 -94.60 -43.94 . . 0 "[ . 1 . 2 . 3 . 4 . ]"
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