NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624991 |
5z9c   |
36163 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5z9c
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 218
_TA_constraint_stats_list.Viol_count 185
_TA_constraint_stats_list.Viol_total 7095.52
_TA_constraint_stats_list.Viol_max 7.48
_TA_constraint_stats_list.Viol_rms 0.53
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 1.92
_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 ASN C 1 3 LYS N 1 3 LYS CA 1 3 LYS C -146.00 -26.00 -100.24 -138.69 -69.24 . . 0 "[ . 1 . 2]"
2 . 1 3 LYS N 1 3 LYS CA 1 3 LYS C 1 4 PRO N 81.00 -167.00 122.70 99.39 145.97 . . 0 "[ . 1 . 2]"
3 . 1 3 LYS C 1 4 PRO N 1 4 PRO CA 1 4 PRO C -96.00 -36.00 -62.83 -80.41 -52.02 . . 0 "[ . 1 . 2]"
4 . 1 4 PRO N 1 4 PRO CA 1 4 PRO C 1 5 LYS N 119.00 179.00 129.14 116.78 160.29 2.22 4 0 "[ . 1 . 2]"
5 . 1 4 PRO C 1 5 LYS N 1 5 LYS CA 1 5 LYS C -165.00 -33.00 -91.12 -91.13 -98.14 . . 0 "[ . 1 . 2]"
6 . 1 5 LYS N 1 5 LYS CA 1 5 LYS C 1 6 ARG N 103.00 171.00 128.09 98.96 161.04 4.04 20 0 "[ . 1 . 2]"
7 . 1 5 LYS C 1 6 ARG N 1 6 ARG CA 1 6 ARG C -152.00 -36.00 -89.54 -153.83 -55.83 1.83 20 0 "[ . 1 . 2]"
8 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 GLN N 103.00 171.00 110.68 106.02 102.79 1.55 1 0 "[ . 1 . 2]"
9 . 1 6 ARG C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -118.00 -50.00 -70.09 -79.37 -62.07 . . 0 "[ . 1 . 2]"
10 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 THR N 72.00 -168.00 80.70 70.14 90.15 1.86 2 0 "[ . 1 . 2]"
11 . 1 7 GLN C 1 8 THR N 1 8 THR CA 1 8 THR C -91.00 -31.00 -79.04 -78.27 -82.00 . . 0 "[ . 1 . 2]"
12 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 ASN N -65.00 -5.00 -24.30 -32.70 -10.86 . . 0 "[ . 1 . 2]"
13 . 1 8 THR C 1 9 ASN N 1 9 ASN CA 1 9 ASN C -94.00 -34.00 -76.29 -78.85 -82.71 . . 0 "[ . 1 . 2]"
14 . 1 9 ASN N 1 9 ASN CA 1 9 ASN C 1 10 GLN N -71.00 -11.00 -39.27 -36.00 -36.83 . . 0 "[ . 1 . 2]"
15 . 1 9 ASN C 1 10 GLN N 1 10 GLN CA 1 10 GLN C -97.00 -37.00 -68.19 -74.62 -63.88 . . 0 "[ . 1 . 2]"
16 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 LEU N -71.00 -11.00 -44.25 -39.83 -41.83 . . 0 "[ . 1 . 2]"
17 . 1 10 GLN C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -93.00 -33.00 -63.31 -63.90 -64.36 . . 0 "[ . 1 . 2]"
18 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 GLN N -71.00 -11.00 -39.45 -41.99 -35.93 . . 0 "[ . 1 . 2]"
19 . 1 11 LEU C 1 12 GLN N 1 12 GLN CA 1 12 GLN C -94.00 -34.00 -53.12 -52.54 -52.96 . . 0 "[ . 1 . 2]"
20 . 1 12 GLN N 1 12 GLN CA 1 12 GLN C 1 13 TYR N -72.00 -12.00 -60.76 -64.74 -54.76 . . 0 "[ . 1 . 2]"
21 . 1 12 GLN C 1 13 TYR N 1 13 TYR CA 1 13 TYR C -95.00 -35.00 -49.08 -50.66 -47.12 . . 0 "[ . 1 . 2]"
22 . 1 13 TYR N 1 13 TYR CA 1 13 TYR C 1 14 LEU N -70.00 -10.00 -55.53 -55.82 -55.93 . . 0 "[ . 1 . 2]"
23 . 1 13 TYR C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -94.00 -34.00 -50.64 -50.64 -50.67 . . 0 "[ . 1 . 2]"
24 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 LEU N -74.00 -14.00 -31.72 -30.17 -30.69 . . 0 "[ . 1 . 2]"
25 . 1 14 LEU C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -94.00 -34.00 -87.11 -89.25 -84.10 . . 0 "[ . 1 . 2]"
26 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 ARG N -76.00 -16.00 -53.21 -55.67 -51.19 . . 0 "[ . 1 . 2]"
27 . 1 15 LEU C 1 16 ARG N 1 16 ARG CA 1 16 ARG C -94.00 -34.00 -63.67 -60.37 -61.15 . . 0 "[ . 1 . 2]"
28 . 1 16 ARG N 1 16 ARG CA 1 16 ARG C 1 17 VAL N -70.00 -10.00 -64.99 -64.43 -64.79 . . 0 "[ . 1 . 2]"
29 . 1 16 ARG C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -105.00 -45.00 -85.19 -88.44 -82.81 . . 0 "[ . 1 . 2]"
30 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 VAL N -66.00 -6.00 -66.63 -66.99 -67.22 1.40 4 0 "[ . 1 . 2]"
31 . 1 17 VAL C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -92.00 -32.00 -49.92 -50.29 -50.32 . . 0 "[ . 1 . 2]"
32 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 LEU N -75.00 -15.00 -65.55 -66.99 -63.39 . . 0 "[ . 1 . 2]"
33 . 1 18 VAL C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -86.80 -26.80 -47.68 -47.81 -48.20 . . 0 "[ . 1 . 2]"
34 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 LYS N -74.00 -14.00 -55.29 -61.35 -51.43 . . 0 "[ . 1 . 2]"
35 . 1 19 LEU C 1 20 LYS N 1 20 LYS CA 1 20 LYS C -91.60 -31.60 -66.08 -68.77 -69.67 . . 0 "[ . 1 . 2]"
36 . 1 20 LYS N 1 20 LYS CA 1 20 LYS C 1 21 THR N -72.50 -12.50 -39.10 -50.66 -33.37 . . 0 "[ . 1 . 2]"
37 . 1 20 LYS C 1 21 THR N 1 21 THR CA 1 21 THR C -94.20 -34.20 -64.62 -64.08 -64.22 . . 0 "[ . 1 . 2]"
38 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 LEU N -73.90 -13.90 -43.87 -46.97 -41.00 . . 0 "[ . 1 . 2]"
39 . 1 21 THR C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -95.60 -35.60 -66.48 -66.31 -66.66 . . 0 "[ . 1 . 2]"
40 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 TRP N -75.50 -15.50 -54.01 -53.44 -53.72 . . 0 "[ . 1 . 2]"
41 . 1 22 LEU C 1 23 TRP N 1 23 TRP CA 1 23 TRP C -93.00 -33.00 -42.38 -45.89 -39.66 . . 0 "[ . 1 . 2]"
42 . 1 23 TRP N 1 23 TRP CA 1 23 TRP C 1 24 LYS N -67.00 -7.00 -37.28 -35.31 -36.33 . . 0 "[ . 1 . 2]"
43 . 1 23 TRP C 1 24 LYS N 1 24 LYS CA 1 24 LYS C -138.00 -70.00 -94.95 -103.05 -88.46 . . 0 "[ . 1 . 2]"
44 . 1 24 LYS N 1 24 LYS CA 1 24 LYS C 1 25 HIS N -24.00 36.00 1.81 2.51 -1.04 . . 0 "[ . 1 . 2]"
45 . 1 24 LYS C 1 25 HIS N 1 25 HIS CA 1 25 HIS C -147.00 17.00 -72.49 -87.01 -63.76 . . 0 "[ . 1 . 2]"
46 . 1 25 HIS N 1 25 HIS CA 1 25 HIS C 1 26 GLN N 37.00 -155.00 153.27 152.83 152.60 . . 0 "[ . 1 . 2]"
47 . 1 25 HIS C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -116.00 -40.00 -53.68 -56.26 -45.47 . . 0 "[ . 1 . 2]"
48 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 PHE N -45.00 15.00 -30.00 -26.88 -27.58 . . 0 "[ . 1 . 2]"
49 . 1 26 GLN C 1 27 PHE N 1 27 PHE CA 1 27 PHE C -106.00 -30.00 -103.71 -105.14 -105.14 4.07 14 0 "[ . 1 . 2]"
50 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 ALA N -72.00 12.00 -4.21 -6.78 -1.73 . . 0 "[ . 1 . 2]"
51 . 1 27 PHE C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -90.00 -30.00 -73.63 -74.54 -75.38 . . 0 "[ . 1 . 2]"
52 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 TRP N -66.00 2.00 -10.14 -10.65 -10.93 . . 0 "[ . 1 . 2]"
53 . 1 28 ALA C 1 29 TRP N 1 29 TRP CA 1 29 TRP C -80.00 -20.00 -52.79 -51.96 -52.56 . . 0 "[ . 1 . 2]"
54 . 1 29 TRP N 1 29 TRP CA 1 29 TRP C 1 30 PRO N -81.00 -21.00 -40.22 -41.89 -38.59 . . 0 "[ . 1 . 2]"
55 . 1 29 TRP C 1 30 PRO N 1 30 PRO CA 1 30 PRO C -89.00 -29.00 -88.40 -88.74 -88.90 0.74 14 0 "[ . 1 . 2]"
56 . 1 30 PRO N 1 30 PRO CA 1 30 PRO C 1 31 PHE N -54.00 6.00 -1.98 -7.66 6.28 0.28 17 0 "[ . 1 . 2]"
57 . 1 30 PRO C 1 31 PHE N 1 31 PHE CA 1 31 PHE C -127.00 -59.00 -108.08 -110.47 -111.83 . . 0 "[ . 1 . 2]"
58 . 1 31 PHE N 1 31 PHE CA 1 31 PHE C 1 32 GLN N -56.00 28.00 -38.38 -39.20 -41.08 . . 0 "[ . 1 . 2]"
59 . 1 31 PHE C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -107.00 -47.00 -50.53 -58.00 -46.92 0.08 1 0 "[ . 1 . 2]"
60 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 GLN N -72.00 36.00 -40.48 -46.20 -52.72 . . 0 "[ . 1 . 2]"
61 . 1 32 GLN C 1 33 GLN N 1 33 GLN CA 1 33 GLN C 170.00 -50.00 -120.39 -135.06 -103.08 . . 0 "[ . 1 . 2]"
62 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 PRO N 46.00 -150.00 151.75 142.34 160.07 . . 0 "[ . 1 . 2]"
63 . 1 33 GLN C 1 34 PRO N 1 34 PRO CA 1 34 PRO C -88.00 -28.00 -78.10 -78.32 -79.62 . . 0 "[ . 1 . 2]"
64 . 1 34 PRO N 1 34 PRO CA 1 34 PRO C 1 35 VAL N 83.00 -125.00 127.38 113.13 137.03 . . 0 "[ . 1 . 2]"
65 . 1 35 VAL C 1 36 ASP N 1 36 ASP CA 1 36 ASP C 160.00 -48.00 -79.66 -84.08 -73.68 . . 0 "[ . 1 . 2]"
66 . 1 36 ASP N 1 36 ASP CA 1 36 ASP C 1 37 ALA N 101.00 -163.00 105.66 111.44 110.02 0.99 12 0 "[ . 1 . 2]"
67 . 1 36 ASP C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -91.00 -31.00 -65.53 -69.10 -59.27 . . 0 "[ . 1 . 2]"
68 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 VAL N -68.00 -8.00 -13.53 -9.49 -11.04 0.11 6 0 "[ . 1 . 2]"
69 . 1 37 ALA C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -94.00 -34.00 -85.66 -92.33 -75.08 . . 0 "[ . 1 . 2]"
70 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 LYS N -73.00 -13.00 -27.11 -24.20 -25.62 . . 0 "[ . 1 . 2]"
71 . 1 38 VAL C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -99.00 -39.00 -76.34 -78.94 -80.98 . . 0 "[ . 1 . 2]"
72 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 LEU N -69.00 -9.00 -50.32 -58.50 -41.57 . . 0 "[ . 1 . 2]"
73 . 1 39 LYS C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -121.00 -61.00 -77.96 -76.92 -77.56 . . 0 "[ . 1 . 2]"
74 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 ASN N -33.00 27.00 2.81 2.07 0.21 . . 0 "[ . 1 . 2]"
75 . 1 40 LEU C 1 41 ASN N 1 41 ASN CA 1 41 ASN C 30.00 90.00 59.87 62.61 61.39 . . 0 "[ . 1 . 2]"
76 . 1 41 ASN N 1 41 ASN CA 1 41 ASN C 1 42 LEU N 0.00 84.00 69.59 64.34 75.41 . . 0 "[ . 1 . 2]"
77 . 1 41 ASN C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -159.00 -95.00 -121.69 -124.65 -126.41 . . 0 "[ . 1 . 2]"
78 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 PRO N 14.00 -178.00 83.21 81.25 81.01 . . 0 "[ . 1 . 2]"
79 . 1 42 LEU C 1 43 PRO N 1 43 PRO CA 1 43 PRO C -89.00 -29.00 -67.56 -66.38 -67.38 . . 0 "[ . 1 . 2]"
80 . 1 43 PRO N 1 43 PRO CA 1 43 PRO C 1 44 ASP N -52.00 8.00 -23.80 -28.94 -12.99 . . 0 "[ . 1 . 2]"
81 . 1 43 PRO C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -123.00 -39.00 -122.44 -121.50 -122.77 2.02 11 0 "[ . 1 . 2]"
82 . 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 TYR N -75.00 29.00 18.10 17.71 16.60 . . 0 "[ . 1 . 2]"
83 . 1 44 ASP C 1 45 TYR N 1 45 TYR CA 1 45 TYR C -90.00 -30.00 -63.29 -63.94 -65.37 . . 0 "[ . 1 . 2]"
84 . 1 45 TYR N 1 45 TYR CA 1 45 TYR C 1 46 TYR N -68.00 -8.00 -55.72 -60.33 -51.54 . . 0 "[ . 1 . 2]"
85 . 1 45 TYR C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -96.00 -36.00 -78.89 -78.75 -79.53 . . 0 "[ . 1 . 2]"
86 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 LYS N -54.00 10.00 6.56 4.96 8.02 . . 0 "[ . 1 . 2]"
87 . 1 46 TYR C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -95.00 -35.00 -96.37 -97.37 -95.11 2.37 11 0 "[ . 1 . 2]"
88 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ILE N -69.00 -9.00 -57.73 -56.02 -57.77 . . 0 "[ . 1 . 2]"
89 . 1 47 LYS C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -112.00 -52.00 -69.40 -73.22 -73.75 . . 0 "[ . 1 . 2]"
90 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 ILE N -66.00 6.00 -49.30 -46.60 -47.25 . . 0 "[ . 1 . 2]"
91 . 1 48 ILE C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -162.00 -50.00 -67.62 -71.36 -59.87 . . 0 "[ . 1 . 2]"
92 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 LYS N 20.00 -160.00 121.41 118.11 125.00 . . 0 "[ . 1 . 2]"
93 . 1 49 ILE C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -103.00 -43.00 -47.33 -51.58 -42.97 0.03 12 0 "[ . 1 . 2]"
94 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 THR N -61.00 -1.00 -54.36 -54.08 -54.84 . . 0 "[ . 1 . 2]"
95 . 1 50 LYS C 1 51 THR N 1 51 THR CA 1 51 THR C -157.00 -65.00 -160.46 -159.44 -159.86 5.06 5 1 "[ + 1 . 2]"
96 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 PRO N 68.00 -168.00 91.30 99.01 92.76 . . 0 "[ . 1 . 2]"
97 . 1 51 THR C 1 52 PRO N 1 52 PRO CA 1 52 PRO C -97.00 -37.00 -52.09 -59.58 -48.07 . . 0 "[ . 1 . 2]"
98 . 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 MET N 124.00 -176.00 118.19 116.52 119.75 7.48 3 17 "[**+*** **1-******* *]"
99 . 1 52 PRO C 1 53 MET N 1 53 MET CA 1 53 MET C -137.00 -45.00 -128.69 -138.19 -123.49 1.19 16 0 "[ . 1 . 2]"
100 . 1 53 MET N 1 53 MET CA 1 53 MET C 1 54 ASP N 98.00 -174.00 140.70 131.11 143.36 . . 0 "[ . 1 . 2]"
101 . 1 53 MET C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -130.00 -50.00 -132.45 -132.69 -132.82 3.20 4 0 "[ . 1 . 2]"
102 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 MET N 132.00 -168.00 152.51 152.04 151.75 . . 0 "[ . 1 . 2]"
103 . 1 54 ASP C 1 55 MET N 1 55 MET CA 1 55 MET C -113.00 -41.00 -47.24 -50.20 -45.49 . . 0 "[ . 1 . 2]"
104 . 1 55 MET N 1 55 MET CA 1 55 MET C 1 56 GLY N -85.00 19.00 -30.53 -33.83 -26.47 . . 0 "[ . 1 . 2]"
105 . 1 56 GLY C 1 57 THR N 1 57 THR CA 1 57 THR C -92.00 -32.00 -62.35 -72.20 -50.89 . . 0 "[ . 1 . 2]"
106 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 ILE N -73.00 -13.00 -35.49 -36.27 -36.62 . . 0 "[ . 1 . 2]"
107 . 1 57 THR C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -93.00 -33.00 -70.28 -68.94 -69.98 . . 0 "[ . 1 . 2]"
108 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 LYS N -74.00 -14.00 -42.41 -40.71 -41.28 . . 0 "[ . 1 . 2]"
109 . 1 58 ILE C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -91.00 -31.00 -64.19 -68.61 -59.89 . . 0 "[ . 1 . 2]"
110 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 LYS N -73.00 -13.00 -27.85 -27.39 -28.29 . . 0 "[ . 1 . 2]"
111 . 1 59 LYS C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -91.00 -31.00 -59.88 -63.04 -54.30 . . 0 "[ . 1 . 2]"
112 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 ARG N -71.00 -11.00 -63.35 -67.50 -56.76 . . 0 "[ . 1 . 2]"
113 . 1 60 LYS C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -94.00 -34.00 -67.41 -74.51 -60.37 . . 0 "[ . 1 . 2]"
114 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 LEU N -74.00 -14.00 -23.78 -39.21 -16.33 . . 0 "[ . 1 . 2]"
115 . 1 61 ARG C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -93.00 -33.00 -68.36 -67.07 -67.52 . . 0 "[ . 1 . 2]"
116 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 GLU N -72.00 -12.00 -60.53 -60.32 -62.30 . . 0 "[ . 1 . 2]"
117 . 1 62 LEU C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -96.00 -36.00 -73.57 -79.46 -64.37 . . 0 "[ . 1 . 2]"
118 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 ASN N -64.00 -4.00 -18.00 -10.52 -11.79 0.39 16 0 "[ . 1 . 2]"
119 . 1 63 GLU C 1 64 ASN N 1 64 ASN CA 1 64 ASN C -120.00 -60.00 -96.16 -98.95 -100.49 . . 0 "[ . 1 . 2]"
120 . 1 64 ASN N 1 64 ASN CA 1 64 ASN C 1 65 ASN N -25.00 35.00 14.84 2.72 22.42 . . 0 "[ . 1 . 2]"
121 . 1 64 ASN C 1 65 ASN N 1 65 ASN CA 1 65 ASN C 30.00 94.00 44.59 40.14 48.52 . . 0 "[ . 1 . 2]"
122 . 1 65 ASN N 1 65 ASN CA 1 65 ASN C 1 66 TYR N -2.00 66.00 36.94 34.86 30.61 . . 0 "[ . 1 . 2]"
123 . 1 65 ASN C 1 66 TYR N 1 66 TYR CA 1 66 TYR C -103.00 -43.00 -78.68 -89.18 -64.98 . . 0 "[ . 1 . 2]"
124 . 1 66 TYR N 1 66 TYR CA 1 66 TYR C 1 67 TYR N -68.00 -8.00 -39.62 -41.77 -43.55 . . 0 "[ . 1 . 2]"
125 . 1 67 TYR C 1 68 TRP N 1 68 TRP CA 1 68 TRP C -116.00 -52.00 -88.82 -88.17 -88.80 . . 0 "[ . 1 . 2]"
126 . 1 68 TRP N 1 68 TRP CA 1 68 TRP C 1 69 ASN N -50.00 30.00 -22.04 -27.79 -29.66 . . 0 "[ . 1 . 2]"
127 . 1 68 TRP C 1 69 ASN N 1 69 ASN CA 1 69 ASN C 169.00 -111.00 -149.74 -160.64 -131.49 . . 0 "[ . 1 . 2]"
128 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 ALA N 132.00 -168.00 154.05 157.21 156.34 . . 0 "[ . 1 . 2]"
129 . 1 69 ASN C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -90.00 -30.00 -56.28 -63.08 -50.65 . . 0 "[ . 1 . 2]"
130 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 GLN N -69.00 -9.00 -41.65 -44.47 -35.97 . . 0 "[ . 1 . 2]"
131 . 1 70 ALA C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -96.00 -36.00 -52.74 -54.72 -55.03 . . 0 "[ . 1 . 2]"
132 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 GLU N -69.00 -9.00 -30.20 -29.07 -29.98 . . 0 "[ . 1 . 2]"
133 . 1 71 GLN C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -93.00 -33.00 -68.85 -68.15 -68.71 . . 0 "[ . 1 . 2]"
134 . 1 72 GLU N 1 72 GLU CA 1 72 GLU C 1 73 CYS N -71.00 -11.00 -44.17 -48.34 -37.76 . . 0 "[ . 1 . 2]"
135 . 1 72 GLU C 1 73 CYS N 1 73 CYS CA 1 73 CYS C -94.70 -34.70 -64.31 -66.52 -67.74 . . 0 "[ . 1 . 2]"
136 . 1 73 CYS N 1 73 CYS CA 1 73 CYS C 1 74 ILE N -70.40 -10.40 -37.93 -35.95 -36.24 . . 0 "[ . 1 . 2]"
137 . 1 73 CYS C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -94.10 -34.10 -62.48 -63.74 -65.01 . . 0 "[ . 1 . 2]"
138 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 GLN N -75.40 -15.40 -51.52 -51.20 -51.37 . . 0 "[ . 1 . 2]"
139 . 1 74 ILE C 1 75 GLN N 1 75 GLN CA 1 75 GLN C -90.30 -30.30 -54.36 -55.57 -61.22 . . 0 "[ . 1 . 2]"
140 . 1 75 GLN N 1 75 GLN CA 1 75 GLN C 1 76 ASP N -73.60 -13.60 -31.65 -35.29 -24.95 . . 0 "[ . 1 . 2]"
141 . 1 75 GLN C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -92.30 -32.30 -76.86 -76.07 -76.89 . . 0 "[ . 1 . 2]"
142 . 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 PHE N -73.80 -13.80 -37.46 -40.07 -32.36 . . 0 "[ . 1 . 2]"
143 . 1 76 ASP C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -91.30 -31.30 -63.89 -66.81 -69.49 . . 0 "[ . 1 . 2]"
144 . 1 77 PHE N 1 77 PHE CA 1 77 PHE C 1 78 ASN N -72.60 -12.60 -43.88 -43.06 -43.63 . . 0 "[ . 1 . 2]"
145 . 1 77 PHE C 1 78 ASN N 1 78 ASN CA 1 78 ASN C -93.60 -33.60 -59.94 -65.05 -56.99 . . 0 "[ . 1 . 2]"
146 . 1 78 ASN N 1 78 ASN CA 1 78 ASN C 1 79 THR N -67.70 -7.70 -48.11 -55.07 -37.32 . . 0 "[ . 1 . 2]"
147 . 1 78 ASN C 1 79 THR N 1 79 THR CA 1 79 THR C -96.00 -36.00 -53.14 -64.60 -46.65 . . 0 "[ . 1 . 2]"
148 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 MET N -73.00 -13.00 -47.86 -44.96 -47.13 . . 0 "[ . 1 . 2]"
149 . 1 79 THR C 1 80 MET N 1 80 MET CA 1 80 MET C -89.00 -29.00 -54.39 -60.23 -49.92 . . 0 "[ . 1 . 2]"
150 . 1 80 MET N 1 80 MET CA 1 80 MET C 1 81 PHE N -78.00 -18.00 -55.34 -59.69 -52.96 . . 0 "[ . 1 . 2]"
151 . 1 80 MET C 1 81 PHE N 1 81 PHE CA 1 81 PHE C -90.70 -30.70 -66.30 -66.23 -66.45 . . 0 "[ . 1 . 2]"
152 . 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 THR N -76.20 -16.20 -35.73 -34.66 -34.98 . . 0 "[ . 1 . 2]"
153 . 1 81 PHE C 1 82 THR N 1 82 THR CA 1 82 THR C -93.30 -33.30 -75.16 -76.92 -71.87 . . 0 "[ . 1 . 2]"
154 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 ASN N -73.00 -13.00 -35.43 -37.58 -39.08 . . 0 "[ . 1 . 2]"
155 . 1 82 THR C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -93.30 -33.30 -57.46 -63.59 -54.68 . . 0 "[ . 1 . 2]"
156 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 CYS N -74.80 -14.80 -40.80 -35.48 -41.59 . . 0 "[ . 1 . 2]"
157 . 1 83 ASN C 1 84 CYS N 1 84 CYS CA 1 84 CYS C -91.50 -31.50 -63.01 -74.54 -56.79 . . 0 "[ . 1 . 2]"
158 . 1 84 CYS N 1 84 CYS CA 1 84 CYS C 1 85 TYR N -66.40 -6.40 -26.92 -43.00 -23.32 . . 0 "[ . 1 . 2]"
159 . 1 84 CYS C 1 85 TYR N 1 85 TYR CA 1 85 TYR C -112.90 -37.90 -87.88 -86.64 -87.50 . . 0 "[ . 1 . 2]"
160 . 1 85 TYR N 1 85 TYR CA 1 85 TYR C 1 86 ILE N -61.90 35.10 -31.40 -40.64 -23.99 . . 0 "[ . 1 . 2]"
161 . 1 85 TYR C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -94.10 -34.10 -63.56 -60.15 -62.14 . . 0 "[ . 1 . 2]"
162 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 TYR N -71.90 -11.90 -51.61 -51.22 -51.69 . . 0 "[ . 1 . 2]"
163 . 1 86 ILE C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -100.00 -40.00 -80.21 -83.29 -77.85 . . 0 "[ . 1 . 2]"
164 . 1 87 TYR N 1 87 TYR CA 1 87 TYR C 1 88 ASN N -65.00 -5.00 -55.30 -59.81 -60.83 0.23 16 0 "[ . 1 . 2]"
165 . 1 88 ASN C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -169.00 -45.00 -58.01 -64.31 -53.10 . . 0 "[ . 1 . 2]"
166 . 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 PRO N 43.00 -173.00 138.06 135.08 132.63 . . 0 "[ . 1 . 2]"
167 . 1 89 LYS C 1 90 PRO N 1 90 PRO CA 1 90 PRO C -89.00 -29.00 -47.07 -41.91 -43.75 . . 0 "[ . 1 . 2]"
168 . 1 90 PRO N 1 90 PRO CA 1 90 PRO C 1 91 GLY N 110.00 170.00 110.44 109.05 113.77 0.95 11 0 "[ . 1 . 2]"
169 . 1 90 PRO C 1 91 GLY N 1 91 GLY CA 1 91 GLY C 61.00 121.00 122.12 121.54 123.01 2.01 12 0 "[ . 1 . 2]"
170 . 1 91 GLY N 1 91 GLY CA 1 91 GLY C 1 92 ASP N -42.00 18.00 0.80 -0.41 -2.30 . . 0 "[ . 1 . 2]"
171 . 1 91 GLY C 1 92 ASP N 1 92 ASP CA 1 92 ASP C -114.00 -46.00 -83.68 -89.23 -79.02 . . 0 "[ . 1 . 2]"
172 . 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 ASP N 98.00 166.00 148.13 145.51 150.44 . . 0 "[ . 1 . 2]"
173 . 1 92 ASP C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -82.00 -22.00 -46.96 -49.17 -44.34 . . 0 "[ . 1 . 2]"
174 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 ILE N -68.00 -8.00 -50.18 -49.58 -50.24 . . 0 "[ . 1 . 2]"
175 . 1 93 ASP C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -104.00 -44.00 -61.05 -64.24 -56.69 . . 0 "[ . 1 . 2]"
176 . 1 94 ILE N 1 94 ILE CA 1 94 ILE C 1 95 VAL N -64.00 4.00 -40.07 -42.08 -37.35 . . 0 "[ . 1 . 2]"
177 . 1 94 ILE C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -92.00 -32.00 -66.85 -66.32 -67.09 . . 0 "[ . 1 . 2]"
178 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 LEU N -74.00 -14.00 -43.60 -44.28 -44.34 . . 0 "[ . 1 . 2]"
179 . 1 95 VAL C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -89.00 -29.00 -56.94 -57.08 -57.25 . . 0 "[ . 1 . 2]"
180 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 MET N -72.00 -12.00 -37.91 -41.25 -29.91 . . 0 "[ . 1 . 2]"
181 . 1 96 LEU C 1 97 MET N 1 97 MET CA 1 97 MET C -93.00 -33.00 -70.63 -76.30 -63.71 . . 0 "[ . 1 . 2]"
182 . 1 97 MET N 1 97 MET CA 1 97 MET C 1 98 ALA N -73.00 -13.00 -45.97 -45.60 -48.89 . . 0 "[ . 1 . 2]"
183 . 1 97 MET C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -94.30 -34.30 -60.53 -62.98 -57.76 . . 0 "[ . 1 . 2]"
184 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 GLU N -71.00 -11.00 -37.89 -38.12 -38.41 . . 0 "[ . 1 . 2]"
185 . 1 98 ALA C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -93.40 -33.40 -64.70 -68.74 -60.73 . . 0 "[ . 1 . 2]"
186 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 ALA N -71.90 -11.90 -36.29 -35.90 -36.03 . . 0 "[ . 1 . 2]"
187 . 1 99 GLU C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -101.00 -41.00 -75.51 -75.98 -76.40 . . 0 "[ . 1 . 2]"
188 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 LEU N -67.00 -7.00 -26.92 -25.98 -26.38 . . 0 "[ . 1 . 2]"
189 . 1 100 ALA C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -93.60 -33.60 -79.48 -81.54 -76.64 . . 0 "[ . 1 . 2]"
190 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 GLU N -69.20 -9.20 -27.12 -26.78 -26.87 . . 0 "[ . 1 . 2]"
191 . 1 101 LEU C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -93.50 -33.50 -65.03 -64.45 -64.65 . . 0 "[ . 1 . 2]"
192 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 LYS N -73.00 -13.00 -55.28 -58.12 -52.04 . . 0 "[ . 1 . 2]"
193 . 1 102 GLU C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -93.80 -33.80 -61.74 -60.20 -60.71 . . 0 "[ . 1 . 2]"
194 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 LEU N -71.40 -11.40 -22.04 -25.33 -16.75 . . 0 "[ . 1 . 2]"
195 . 1 103 LYS C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -94.80 -34.80 -84.42 -82.36 -82.95 . . 0 "[ . 1 . 2]"
196 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 PHE N -69.10 -9.10 -49.45 -48.95 -49.44 . . 0 "[ . 1 . 2]"
197 . 1 104 LEU C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -94.00 -34.00 -59.52 -61.01 -58.28 . . 0 "[ . 1 . 2]"
198 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 LEU N -74.70 -14.70 -52.81 -53.95 -51.71 . . 0 "[ . 1 . 2]"
199 . 1 105 PHE C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -90.60 -30.60 -66.74 -66.45 -66.67 . . 0 "[ . 1 . 2]"
200 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 GLN N -70.70 -10.70 -21.04 -23.64 -18.53 . . 0 "[ . 1 . 2]"
201 . 1 106 LEU C 1 107 GLN N 1 107 GLN CA 1 107 GLN C -93.80 -33.80 -56.20 -55.49 -55.98 . . 0 "[ . 1 . 2]"
202 . 1 107 GLN N 1 107 GLN CA 1 107 GLN C 1 108 LYS N -61.20 -1.20 -52.34 -55.99 -50.43 . . 0 "[ . 1 . 2]"
203 . 1 107 GLN C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -106.00 -46.00 -63.54 -61.64 -62.12 . . 0 "[ . 1 . 2]"
204 . 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 ILE N -62.00 38.00 -43.74 -44.64 -42.76 . . 0 "[ . 1 . 2]"
205 . 1 108 LYS C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -118.00 -30.00 -72.92 -72.42 -72.90 . . 0 "[ . 1 . 2]"
206 . 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 ASN N -66.00 -6.00 -25.95 -27.49 -23.42 . . 0 "[ . 1 . 2]"
207 . 1 109 ILE C 1 110 ASN N 1 110 ASN CA 1 110 ASN C -102.00 -42.00 -60.39 -59.88 -60.86 . . 0 "[ . 1 . 2]"
208 . 1 110 ASN N 1 110 ASN CA 1 110 ASN C 1 111 GLU N -55.00 5.00 -21.07 -24.58 -16.22 . . 0 "[ . 1 . 2]"
209 . 1 110 ASN C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -128.00 -68.00 -117.52 -116.79 -117.46 . . 0 "[ . 1 . 2]"
210 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 LEU N -27.00 33.00 10.60 4.89 17.02 . . 0 "[ . 1 . 2]"
211 . 1 111 GLU C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -143.00 -35.00 -58.89 -58.71 -60.62 . . 0 "[ . 1 . 2]"
212 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 PRO N 60.00 180.00 121.36 121.06 120.62 . . 0 "[ . 1 . 2]"
213 . 1 112 LEU C 1 113 PRO N 1 113 PRO CA 1 113 PRO C -97.00 -37.00 -48.09 -51.02 -41.13 . . 0 "[ . 1 . 2]"
214 . 1 113 PRO N 1 113 PRO CA 1 113 PRO C 1 114 THR N 122.00 -178.00 168.27 174.42 172.49 . . 0 "[ . 1 . 2]"
215 . 1 113 PRO C 1 114 THR N 1 114 THR CA 1 114 THR C 179.00 -45.00 -116.01 -124.44 -126.65 . . 0 "[ . 1 . 2]"
216 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 GLU N 93.00 173.00 139.99 156.94 151.66 . . 0 "[ . 1 . 2]"
217 . 1 114 THR C 1 115 GLU N 1 115 GLU CA 1 115 GLU C -134.00 -30.00 -61.63 -52.95 -56.45 . . 0 "[ . 1 . 2]"
218 . 1 115 GLU N 1 115 GLU CA 1 115 GLU C 1 116 GLU N 96.00 156.00 129.74 94.41 157.85 1.85 17 0 "[ . 1 . 2]"
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