NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
649585 |
6taz   |
34443 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6taz
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 210
_TA_constraint_stats_list.Viol_count 117
_TA_constraint_stats_list.Viol_total 21559.62
_TA_constraint_stats_list.Viol_max 23.38
_TA_constraint_stats_list.Viol_rms 1.91
_TA_constraint_stats_list.Viol_average_all_restraints 0.26
_TA_constraint_stats_list.Viol_average_violations_only 9.21
_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 PRO C 1 8 THR N 1 8 THR CA 1 8 THR C -132.28 -59.46 -90.84 -105.97 -127.77 4.25 1 0 "[ . 1 . 2]"
2 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 TRP N 97.33 157.33 130.66 114.77 96.75 4.98 1 0 "[ . 1 . 2]"
3 . 1 8 THR C 1 9 TRP N 1 9 TRP CA 1 9 TRP C -136.20 -45.64 -78.27 -96.96 -133.83 1.30 1 0 "[ . 1 . 2]"
4 . 1 9 TRP N 1 9 TRP CA 1 9 TRP C 1 10 SER N 90.82 165.68 134.10 101.44 166.39 0.71 1 0 "[ . 1 . 2]"
5 . 1 9 TRP C 1 10 SER N 1 10 SER CA 1 10 SER C -146.85 -33.71 -94.28 -96.66 -123.34 . . 0 "[ . 1 . 2]"
6 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 PRO N 77.86 -170.84 155.73 148.22 167.07 . . 0 "[ . 1 . 2]"
7 . 1 10 SER C 1 11 PRO N 1 11 PRO CA 1 11 PRO C -82.30 -22.30 -49.56 -47.73 -49.42 . . 0 "[ . 1 . 2]"
8 . 1 11 PRO N 1 11 PRO CA 1 11 PRO C 1 12 GLU N -64.98 -4.98 -40.14 -55.72 -20.90 . . 0 "[ . 1 . 2]"
9 . 1 11 PRO C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -96.49 -36.49 -67.93 -70.04 -73.51 . . 0 "[ . 1 . 2]"
10 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 GLU N -64.81 -4.81 -36.37 -39.99 -41.89 . . 0 "[ . 1 . 2]"
11 . 1 12 GLU C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -94.51 -34.51 -73.13 -84.85 -59.09 . . 0 "[ . 1 . 2]"
12 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 GLU N -73.53 -13.53 -37.75 -35.99 -37.28 . . 0 "[ . 1 . 2]"
13 . 1 13 GLU C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -95.73 -35.73 -69.37 -75.37 -76.72 . . 0 "[ . 1 . 2]"
14 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 ALA N -69.48 -9.48 -32.68 -44.34 -21.91 . . 0 "[ . 1 . 2]"
15 . 1 14 GLU C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -95.40 -35.40 -68.11 -69.44 -69.88 . . 0 "[ . 1 . 2]"
16 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 HIS N -70.26 -10.26 -33.17 -45.14 -22.20 . . 0 "[ . 1 . 2]"
17 . 1 15 ALA C 1 16 HIS N 1 16 HIS CA 1 16 HIS C -103.50 -31.96 -73.94 -74.70 -76.24 . . 0 "[ . 1 . 2]"
18 . 1 16 HIS N 1 16 HIS CA 1 16 HIS C 1 17 LEU N -71.06 -11.06 -27.89 -31.94 -20.10 . . 0 "[ . 1 . 2]"
19 . 1 16 HIS C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -93.33 -33.33 -65.49 -68.63 -73.69 . . 0 "[ . 1 . 2]"
20 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 ARG N -72.52 -12.52 -48.89 -61.09 -41.77 . . 0 "[ . 1 . 2]"
21 . 1 17 LEU C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -91.53 -31.53 -72.45 -78.06 -65.84 . . 0 "[ . 1 . 2]"
22 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 GLU N -72.67 -12.67 -30.89 -31.18 -32.34 . . 0 "[ . 1 . 2]"
23 . 1 18 ARG C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -89.11 -29.11 -51.01 -49.19 -49.87 . . 0 "[ . 1 . 2]"
24 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 LEU N -73.73 -13.73 -52.50 -53.48 -55.16 . . 0 "[ . 1 . 2]"
25 . 1 19 GLU C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -95.47 -35.47 -70.37 -76.22 -60.98 . . 0 "[ . 1 . 2]"
26 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 TYR N -67.35 -7.35 -32.08 -43.14 -26.17 . . 0 "[ . 1 . 2]"
27 . 1 20 LEU C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -91.12 -31.12 -69.95 -73.37 -67.60 . . 0 "[ . 1 . 2]"
28 . 1 21 TYR N 1 21 TYR CA 1 21 TYR C 1 22 LEU N -74.65 -14.65 -49.60 -47.60 -49.23 . . 0 "[ . 1 . 2]"
29 . 1 21 TYR C 1 22 LEU N 1 22 LEU CA 1 22 LEU C -92.74 -32.74 -62.11 -61.19 -62.17 . . 0 "[ . 1 . 2]"
30 . 1 22 LEU N 1 22 LEU CA 1 22 LEU C 1 23 ALA N -68.08 -8.08 -25.63 -31.23 -31.41 . . 0 "[ . 1 . 2]"
31 . 1 22 LEU C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -100.36 -40.36 -78.65 -89.20 -70.17 . . 0 "[ . 1 . 2]"
32 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 ASN N -66.61 -6.61 -43.08 -57.04 -23.73 . . 0 "[ . 1 . 2]"
33 . 1 23 ALA C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -147.41 -48.49 -104.51 -107.18 -107.67 . . 0 "[ . 1 . 2]"
34 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 LYS N -51.86 37.18 8.39 17.85 16.91 . . 0 "[ . 1 . 2]"
35 . 1 24 ASN C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -94.30 -34.30 -74.77 -82.73 -84.86 . . 0 "[ . 1 . 2]"
36 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 ASP N -63.93 -3.93 -19.16 -35.92 -12.41 . . 0 "[ . 1 . 2]"
37 . 1 25 LYS C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -128.50 -62.16 -95.21 -118.38 -73.34 . . 0 "[ . 1 . 2]"
38 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 VAL N -32.42 27.58 2.25 -22.61 -32.87 0.45 1 0 "[ . 1 . 2]"
39 . 1 26 ASP C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -112.59 -46.03 -94.83 -113.36 -75.48 0.77 7 0 "[ . 1 . 2]"
40 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 GLU N 98.49 158.49 114.21 106.43 141.21 . . 0 "[ . 1 . 2]"
41 . 1 27 VAL C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -121.23 -18.41 -92.81 -95.97 -99.10 . . 0 "[ . 1 . 2]"
42 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 GLY N 108.29 177.65 143.10 148.04 143.36 . . 0 "[ . 1 . 2]"
43 . 1 28 GLU C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 42.68 102.68 88.30 80.88 73.86 . . 0 "[ . 1 . 2]"
44 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 GLN N -33.69 54.77 3.51 -33.80 27.45 0.11 6 0 "[ . 1 . 2]"
45 . 1 29 GLY C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -160.86 -48.38 -122.04 -147.04 -79.02 . . 0 "[ . 1 . 2]"
46 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 ASP N 113.48 173.48 147.76 125.22 163.20 . . 0 "[ . 1 . 2]"
47 . 1 30 GLN C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -109.78 -49.78 -76.74 -95.41 -61.94 . . 0 "[ . 1 . 2]"
48 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 VAL N 85.74 145.74 107.70 100.15 95.72 . . 0 "[ . 1 . 2]"
49 . 1 31 ASP C 1 32 VAL N 1 32 VAL CA 1 32 VAL C -88.45 -28.45 -64.44 -63.44 -65.96 . . 0 "[ . 1 . 2]"
50 . 1 32 VAL N 1 32 VAL CA 1 32 VAL C 1 33 VAL N -64.58 -3.84 -35.83 -45.33 -26.55 . . 0 "[ . 1 . 2]"
51 . 1 32 VAL C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -90.37 -30.37 -62.55 -77.09 -53.51 . . 0 "[ . 1 . 2]"
52 . 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 GLU N -69.15 -9.15 -50.71 -51.83 -53.60 . . 0 "[ . 1 . 2]"
53 . 1 33 VAL C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -93.91 -33.91 -63.79 -72.46 -53.25 . . 0 "[ . 1 . 2]"
54 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 ALA N -71.07 -11.07 -34.27 -32.50 -33.65 . . 0 "[ . 1 . 2]"
55 . 1 34 GLU C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -93.78 -33.78 -58.08 -68.86 -48.55 . . 0 "[ . 1 . 2]"
56 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 ILE N -68.25 -8.25 -46.89 -47.81 -49.50 . . 0 "[ . 1 . 2]"
57 . 1 35 ALA C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -94.39 -34.39 -68.62 -67.08 -67.15 . . 0 "[ . 1 . 2]"
58 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 LEU N -73.46 -13.46 -60.42 -64.96 -53.75 . . 0 "[ . 1 . 2]"
59 . 1 36 ILE C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -91.72 -31.72 -55.80 -66.34 -41.40 . . 0 "[ . 1 . 2]"
60 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 ALA N -69.67 -9.67 -31.37 -29.98 -40.14 . . 0 "[ . 1 . 2]"
61 . 1 37 LEU C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -98.48 -38.48 -86.17 -90.00 -68.63 . . 0 "[ . 1 . 2]"
62 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 HIS N -62.19 -2.19 -36.67 -52.64 -22.90 . . 0 "[ . 1 . 2]"
63 . 1 38 ALA C 1 39 HIS N 1 39 HIS CA 1 39 HIS C -126.00 -66.00 -79.87 -80.79 -83.09 . . 0 "[ . 1 . 2]"
64 . 1 39 HIS N 1 39 HIS CA 1 39 HIS C 1 40 LEU N -39.02 20.98 -26.35 -29.92 -30.05 . . 0 "[ . 1 . 2]"
65 . 1 41 ASN C 1 42 THR N 1 42 THR CA 1 42 THR C -115.51 -55.51 -96.05 -82.31 -88.56 . . 0 "[ . 1 . 2]"
66 . 1 42 THR N 1 42 THR CA 1 42 THR C 1 43 VAL N -56.35 8.99 -21.11 -25.20 -28.54 . . 0 "[ . 1 . 2]"
67 . 1 42 THR C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -156.30 -94.58 -134.02 -133.18 -134.77 0.92 3 0 "[ . 1 . 2]"
68 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 PRO N 44.67 -178.69 119.67 100.45 145.20 . . 0 "[ . 1 . 2]"
69 . 1 43 VAL C 1 44 PRO N 1 44 PRO CA 1 44 PRO C -94.28 -34.28 -75.45 -85.78 -65.88 . . 0 "[ . 1 . 2]"
70 . 1 44 PRO N 1 44 PRO CA 1 44 PRO C 1 45 ARG N 111.54 171.54 97.92 99.98 97.75 23.38 5 18 "[****+ ****- ********]"
71 . 1 44 PRO C 1 45 ARG N 1 45 ARG CA 1 45 ARG C -156.13 -86.37 -139.94 -140.80 -145.76 0.47 6 0 "[ . 1 . 2]"
72 . 1 45 ARG N 1 45 ARG CA 1 45 ARG C 1 46 THR N 125.49 -174.51 169.80 173.71 171.02 . . 0 "[ . 1 . 2]"
73 . 1 45 ARG C 1 46 THR N 1 46 THR CA 1 46 THR C -127.47 -60.11 -85.29 -109.00 -65.88 . . 0 "[ . 1 . 2]"
74 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 ARG N 136.66 -163.34 166.18 147.38 -172.45 . . 0 "[ . 1 . 2]"
75 . 1 46 THR C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -90.36 -30.36 -64.96 -74.18 -54.95 . . 0 "[ . 1 . 2]"
76 . 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 LYS N -71.77 -11.77 -35.07 -31.99 -35.51 . . 0 "[ . 1 . 2]"
77 . 1 47 ARG C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -91.18 -31.18 -56.40 -58.10 -59.48 . . 0 "[ . 1 . 2]"
78 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 GLN N -69.68 -9.68 -35.52 -50.58 -25.64 . . 0 "[ . 1 . 2]"
79 . 1 48 LYS C 1 49 GLN N 1 49 GLN CA 1 49 GLN C -95.35 -35.35 -63.20 -69.34 -74.82 . . 0 "[ . 1 . 2]"
80 . 1 49 GLN N 1 49 GLN CA 1 49 GLN C 1 50 ILE N -71.47 -11.47 -47.67 -62.35 -33.83 . . 0 "[ . 1 . 2]"
81 . 1 49 GLN C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -90.56 -30.56 -61.26 -61.87 -63.32 . . 0 "[ . 1 . 2]"
82 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 ILE N -77.44 -17.44 -50.20 -59.10 -42.48 . . 0 "[ . 1 . 2]"
83 . 1 50 ILE C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -87.41 -27.41 -55.36 -57.60 -58.81 . . 0 "[ . 1 . 2]"
84 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 HIS N -78.26 -18.26 -46.66 -51.91 -41.97 . . 0 "[ . 1 . 2]"
85 . 1 51 ILE C 1 52 HIS N 1 52 HIS CA 1 52 HIS C -89.44 -29.44 -61.44 -74.10 -52.49 . . 0 "[ . 1 . 2]"
86 . 1 52 HIS N 1 52 HIS CA 1 52 HIS C 1 53 HIS N -70.65 -10.65 -49.21 -54.86 -61.24 . . 0 "[ . 1 . 2]"
87 . 1 52 HIS C 1 53 HIS N 1 53 HIS CA 1 53 HIS C -94.55 -34.55 -65.16 -62.57 -65.58 . . 0 "[ . 1 . 2]"
88 . 1 53 HIS N 1 53 HIS CA 1 53 HIS C 1 54 LEU N -73.34 -13.34 -28.09 -24.55 -24.64 . . 0 "[ . 1 . 2]"
89 . 1 53 HIS C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -93.35 -33.35 -74.27 -83.99 -64.33 . . 0 "[ . 1 . 2]"
90 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 VAL N -70.71 -10.71 -48.36 -52.64 -43.33 . . 0 "[ . 1 . 2]"
91 . 1 54 LEU C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -97.56 -37.56 -72.91 -70.93 -72.14 . . 0 "[ . 1 . 2]"
92 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 GLN N -68.39 -8.39 -25.88 -35.04 -19.73 . . 0 "[ . 1 . 2]"
93 . 1 55 VAL C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -95.98 -35.98 -76.29 -74.22 -75.78 . . 0 "[ . 1 . 2]"
94 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 MET N -68.94 -8.94 -23.72 -26.54 -28.96 . . 0 "[ . 1 . 2]"
95 . 1 56 GLN C 1 57 MET N 1 57 MET CA 1 57 MET C -118.41 -58.41 -85.45 -80.24 -82.23 . . 0 "[ . 1 . 2]"
96 . 1 57 MET N 1 57 MET CA 1 57 MET C 1 58 GLY N -34.96 25.04 -0.54 -11.02 11.05 . . 0 "[ . 1 . 2]"
97 . 1 57 MET C 1 58 GLY N 1 58 GLY CA 1 58 GLY C 58.13 118.13 76.85 73.40 69.63 . . 0 "[ . 1 . 2]"
98 . 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 LEU N -12.29 47.71 6.07 -2.91 21.63 . . 0 "[ . 1 . 2]"
99 . 1 59 LEU C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -169.60 -56.20 -121.89 -137.14 -108.69 . . 0 "[ . 1 . 2]"
100 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 ASP N 119.85 179.85 161.93 167.41 166.20 . . 0 "[ . 1 . 2]"
101 . 1 60 ALA C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -112.98 -49.98 -77.44 -80.31 -81.35 . . 0 "[ . 1 . 2]"
102 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 SER N -55.84 4.16 -65.93 -69.62 -56.57 13.78 16 18 "[** ********-***+* **]"
103 . 1 62 SER C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -86.71 -26.71 -62.00 -58.02 -60.39 . . 0 "[ . 1 . 2]"
104 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 LYS N -65.20 -5.20 -27.74 -30.65 -32.06 . . 0 "[ . 1 . 2]"
105 . 1 63 VAL C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -92.47 -32.47 -58.90 -71.18 -44.05 . . 0 "[ . 1 . 2]"
106 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 ASP N -60.09 -0.09 -31.24 -21.76 -24.49 . . 0 "[ . 1 . 2]"
107 . 1 64 LYS C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -98.36 -38.36 -75.57 -90.02 -63.57 . . 0 "[ . 1 . 2]"
108 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 PHE N -58.17 1.83 -21.46 -36.93 -6.59 . . 0 "[ . 1 . 2]"
109 . 1 65 ASP C 1 66 PHE N 1 66 PHE CA 1 66 PHE C -131.23 -71.23 -98.20 -113.75 -79.49 . . 0 "[ . 1 . 2]"
110 . 1 66 PHE N 1 66 PHE CA 1 66 PHE C 1 67 GLN N -31.63 28.37 -48.40 -48.93 -50.20 21.00 1 20 [+******************-]
111 . 1 74 VAL C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -141.09 -60.19 -51.02 -61.17 -47.66 12.53 7 17 "[* **-*+*** ***.*****]"
112 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 TRP N 92.40 152.40 96.91 80.29 137.51 12.11 2 1 "[ + . 1 . 2]"
113 . 1 75 LEU C 1 76 TRP N 1 76 TRP CA 1 76 TRP C -140.01 -77.89 -92.88 -85.55 -86.39 . . 0 "[ . 1 . 2]"
114 . 1 76 TRP N 1 76 TRP CA 1 76 TRP C 1 77 THR N 100.31 160.31 111.58 108.11 142.98 . . 0 "[ . 1 . 2]"
115 . 1 76 TRP C 1 77 THR N 1 77 THR CA 1 77 THR C -158.55 -54.83 -109.07 -104.85 -106.90 . . 0 "[ . 1 . 2]"
116 . 1 77 THR N 1 77 THR CA 1 77 THR C 1 78 GLY N 135.50 -164.50 170.23 172.34 168.09 . . 0 "[ . 1 . 2]"
117 . 1 77 THR C 1 78 GLY N 1 78 GLY CA 1 78 GLY C -90.55 -30.55 -57.03 -54.01 -54.83 . . 0 "[ . 1 . 2]"
118 . 1 78 GLY N 1 78 GLY CA 1 78 GLY C 1 79 ASP N -68.04 -8.04 -37.80 -38.51 -40.05 . . 0 "[ . 1 . 2]"
119 . 1 78 GLY C 1 79 ASP N 1 79 ASP CA 1 79 ASP C -93.87 -33.87 -68.45 -80.88 -58.84 . . 0 "[ . 1 . 2]"
120 . 1 79 ASP N 1 79 ASP CA 1 79 ASP C 1 80 GLN N -71.56 -11.56 -47.76 -61.67 -29.79 . . 0 "[ . 1 . 2]"
121 . 1 79 ASP C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -96.50 -36.50 -65.81 -66.85 -67.70 . . 0 "[ . 1 . 2]"
122 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 GLU N -69.00 -9.00 -35.08 -39.40 -39.72 . . 0 "[ . 1 . 2]"
123 . 1 80 GLN C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -95.31 -35.31 -64.69 -78.40 -59.35 . . 0 "[ . 1 . 2]"
124 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 LEU N -69.98 -9.98 -41.30 -51.71 -34.06 . . 0 "[ . 1 . 2]"
125 . 1 81 GLU C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -94.00 -34.00 -67.03 -83.80 -60.73 . . 0 "[ . 1 . 2]"
126 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 GLU N -70.95 -10.95 -38.29 -43.52 -24.02 . . 0 "[ . 1 . 2]"
127 . 1 82 LEU C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -93.19 -33.19 -58.12 -53.64 -54.37 . . 0 "[ . 1 . 2]"
128 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 LEU N -68.87 -8.87 -47.62 -60.40 -27.56 . . 0 "[ . 1 . 2]"
129 . 1 83 GLU C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -95.78 -35.78 -66.96 -81.47 -57.36 . . 0 "[ . 1 . 2]"
130 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 GLN N -69.36 -9.36 -41.01 -32.69 -35.98 . . 0 "[ . 1 . 2]"
131 . 1 84 LEU C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -92.36 -32.36 -56.40 -57.12 -57.77 . . 0 "[ . 1 . 2]"
132 . 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 ARG N -71.37 -11.37 -54.13 -52.42 -53.19 . . 0 "[ . 1 . 2]"
133 . 1 85 GLN C 1 86 ARG N 1 86 ARG CA 1 86 ARG C -92.66 -32.66 -63.05 -77.11 -55.56 . . 0 "[ . 1 . 2]"
134 . 1 86 ARG N 1 86 ARG CA 1 86 ARG C 1 87 LEU N -73.50 -13.50 -47.02 -50.23 -51.49 . . 0 "[ . 1 . 2]"
135 . 1 86 ARG C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -93.99 -33.99 -61.87 -73.13 -51.68 . . 0 "[ . 1 . 2]"
136 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 PHE N -73.26 -13.26 -42.04 -39.46 -40.34 . . 0 "[ . 1 . 2]"
137 . 1 87 LEU C 1 88 PHE N 1 88 PHE CA 1 88 PHE C -87.99 -27.99 -55.77 -62.58 -45.92 . . 0 "[ . 1 . 2]"
138 . 1 88 PHE N 1 88 PHE CA 1 88 PHE C 1 89 GLU N -77.08 -17.08 -47.75 -45.03 -46.59 . . 0 "[ . 1 . 2]"
139 . 1 88 PHE C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -89.76 -29.76 -68.52 -72.72 -76.99 . . 0 "[ . 1 . 2]"
140 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 GLU N -66.82 -6.82 -36.70 -47.65 -16.46 . . 0 "[ . 1 . 2]"
141 . 1 89 GLU C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -99.35 -39.35 -72.30 -77.21 -79.21 . . 0 "[ . 1 . 2]"
142 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 PHE N -70.41 -10.41 -32.93 -52.73 -19.58 . . 0 "[ . 1 . 2]"
143 . 1 90 GLU C 1 91 PHE N 1 91 PHE CA 1 91 PHE C -129.72 -44.84 -107.50 -113.18 -118.82 . . 0 "[ . 1 . 2]"
144 . 1 91 PHE N 1 91 PHE CA 1 91 PHE C 1 92 ARG N -52.37 28.79 11.48 -8.41 19.76 . . 0 "[ . 1 . 2]"
145 . 1 91 PHE C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -91.31 -31.31 -70.54 -68.10 -68.69 . . 0 "[ . 1 . 2]"
146 . 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 ASP N -63.28 -3.28 -20.00 -33.52 -9.25 . . 0 "[ . 1 . 2]"
147 . 1 92 ARG C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -134.28 -59.12 -79.16 -95.65 -58.95 0.17 6 0 "[ . 1 . 2]"
148 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 SER N -47.23 44.01 3.77 -27.09 37.33 . . 0 "[ . 1 . 2]"
149 . 1 94 SER C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -110.06 -27.00 -70.95 -84.01 -59.84 . . 0 "[ . 1 . 2]"
150 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 ASP N -58.25 1.75 -33.45 -50.57 -5.87 . . 0 "[ . 1 . 2]"
151 . 1 96 ASP C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -86.60 -26.60 -69.38 -88.54 -56.58 1.94 13 0 "[ . 1 . 2]"
152 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 LEU N -62.97 0.13 -41.44 -65.55 -31.24 2.58 13 0 "[ . 1 . 2]"
153 . 1 97 VAL C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -92.54 -32.54 -67.82 -76.93 -58.87 . . 0 "[ . 1 . 2]"
154 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 GLY N -70.74 -10.74 -36.63 -33.25 -34.07 . . 0 "[ . 1 . 2]"
155 . 1 98 LEU C 1 99 GLY N 1 99 GLY CA 1 99 GLY C -92.79 -32.79 -60.50 -69.00 -53.37 . . 0 "[ . 1 . 2]"
156 . 1 99 GLY N 1 99 GLY CA 1 99 GLY C 1 100 HIS N -72.17 -12.17 -39.33 -34.52 -38.86 . . 0 "[ . 1 . 2]"
157 . 1 99 GLY C 1 100 HIS N 1 100 HIS CA 1 100 HIS C -97.22 -37.22 -76.54 -84.78 -68.77 . . 0 "[ . 1 . 2]"
158 . 1 100 HIS N 1 100 HIS CA 1 100 HIS C 1 101 ILE N -68.58 -8.58 -29.48 -31.44 -33.72 . . 0 "[ . 1 . 2]"
159 . 1 100 HIS C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -93.51 -33.51 -59.24 -69.91 -50.73 . . 0 "[ . 1 . 2]"
160 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 MET N -74.05 -14.05 -58.13 -65.31 -37.22 . . 0 "[ . 1 . 2]"
161 . 1 101 ILE C 1 102 MET N 1 102 MET CA 1 102 MET C -93.60 -33.60 -61.26 -68.21 -82.57 . . 0 "[ . 1 . 2]"
162 . 1 102 MET N 1 102 MET CA 1 102 MET C 1 103 LYS N -65.34 -5.34 -33.60 -50.30 -14.36 . . 0 "[ . 1 . 2]"
163 . 1 102 MET C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -102.57 -42.57 -78.74 -74.71 -75.38 . . 0 "[ . 1 . 2]"
164 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 ASN N -60.85 -0.85 -30.47 -27.10 -33.27 . . 0 "[ . 1 . 2]"
165 . 1 103 LYS C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -127.22 -67.22 -103.87 -117.85 -88.74 . . 0 "[ . 1 . 2]"
166 . 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 ILE N -44.27 18.31 -5.40 -27.60 18.88 0.57 1 0 "[ . 1 . 2]"
167 . 1 105 ILE C 1 106 THR N 1 106 THR CA 1 106 THR C -106.94 -35.86 -72.38 -81.71 -87.09 . . 0 "[ . 1 . 2]"
168 . 1 106 THR N 1 106 THR CA 1 106 THR C 1 107 ALA N -53.46 6.54 -30.67 -37.57 -43.78 . . 0 "[ . 1 . 2]"
169 . 1 108 LYS C 1 109 ARG N 1 109 ARG CA 1 109 ARG C -157.06 -73.72 -113.62 -137.95 -97.11 . . 0 "[ . 1 . 2]"
170 . 1 109 ARG N 1 109 ARG CA 1 109 ARG C 1 110 SER N 121.65 -178.35 150.07 118.59 -177.79 3.06 19 0 "[ . 1 . 2]"
171 . 1 109 ARG C 1 110 SER N 1 110 SER CA 1 110 SER C -106.68 -46.68 -86.99 -75.28 -84.91 . . 0 "[ . 1 . 2]"
172 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 ARG N 127.84 -172.16 158.69 148.24 168.63 . . 0 "[ . 1 . 2]"
173 . 1 110 SER C 1 111 ARG N 1 111 ARG CA 1 111 ARG C -86.93 -26.93 -60.57 -71.84 -54.05 . . 0 "[ . 1 . 2]"
174 . 1 111 ARG N 1 111 ARG CA 1 111 ARG C 1 112 ALA N -73.06 -13.06 -45.10 -45.06 -46.97 . . 0 "[ . 1 . 2]"
175 . 1 111 ARG C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -88.52 -28.52 -59.89 -64.82 -54.38 . . 0 "[ . 1 . 2]"
176 . 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 ARG N -69.89 -9.89 -31.30 -30.50 -33.97 . . 0 "[ . 1 . 2]"
177 . 1 112 ALA C 1 113 ARG N 1 113 ARG CA 1 113 ARG C -96.36 -36.36 -80.38 -87.11 -70.44 . . 0 "[ . 1 . 2]"
178 . 1 113 ARG N 1 113 ARG CA 1 113 ARG C 1 114 ILE N -70.16 -10.16 -33.48 -50.03 -19.25 . . 0 "[ . 1 . 2]"
179 . 1 113 ARG C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -92.90 -32.90 -72.15 -60.77 -69.17 . . 0 "[ . 1 . 2]"
180 . 1 114 ILE N 1 114 ILE CA 1 114 ILE C 1 115 VAL N -75.27 -15.27 -48.72 -58.16 -42.61 . . 0 "[ . 1 . 2]"
181 . 1 114 ILE C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -91.00 -31.00 -61.70 -62.36 -63.24 . . 0 "[ . 1 . 2]"
182 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 ASP N -73.66 -13.66 -40.37 -35.10 -36.16 . . 0 "[ . 1 . 2]"
183 . 1 115 VAL C 1 116 ASP N 1 116 ASP CA 1 116 ASP C -93.28 -33.28 -64.08 -74.24 -55.70 . . 0 "[ . 1 . 2]"
184 . 1 116 ASP N 1 116 ASP CA 1 116 ASP C 1 117 LYS N -66.21 -6.21 -37.30 -37.30 -38.80 . . 0 "[ . 1 . 2]"
185 . 1 116 ASP C 1 117 LYS N 1 117 LYS CA 1 117 LYS C -97.23 -37.23 -72.03 -72.09 -72.78 . . 0 "[ . 1 . 2]"
186 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 LEU N -66.68 -6.68 -34.78 -40.98 -26.52 . . 0 "[ . 1 . 2]"
187 . 1 117 LYS C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -90.80 -30.80 -60.13 -59.64 -60.33 . . 0 "[ . 1 . 2]"
188 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 LEU N -73.91 -13.91 -46.28 -46.52 -47.31 . . 0 "[ . 1 . 2]"
189 . 1 118 LEU C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -95.76 -35.76 -63.71 -71.80 -56.55 . . 0 "[ . 1 . 2]"
190 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 ALA N -68.88 -8.88 -29.74 -33.11 -34.91 . . 0 "[ . 1 . 2]"
191 . 1 119 LEU C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -93.51 -33.51 -77.10 -84.29 -70.00 . . 0 "[ . 1 . 2]"
192 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 LEU N -64.09 -4.09 -38.76 -35.34 -36.45 . . 0 "[ . 1 . 2]"
193 . 1 120 ALA C 1 121 LEU N 1 121 LEU CA 1 121 LEU C -113.39 -53.39 -72.60 -92.76 -63.37 . . 0 "[ . 1 . 2]"
194 . 1 121 LEU N 1 121 LEU CA 1 121 LEU C 1 122 GLY N -33.92 26.08 -24.34 -24.98 -25.22 . . 0 "[ . 1 . 2]"
195 . 1 121 LEU C 1 122 GLY N 1 122 GLY CA 1 122 GLY C 53.92 113.92 78.69 68.78 84.42 . . 0 "[ . 1 . 2]"
196 . 1 122 GLY N 1 122 GLY CA 1 122 GLY C 1 123 LEU N -15.76 44.24 33.10 32.80 31.65 . . 0 "[ . 1 . 2]"
197 . 1 122 GLY C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -115.03 -54.81 -77.44 -84.79 -68.75 . . 0 "[ . 1 . 2]"
198 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 VAL N -52.22 19.68 -24.83 -30.89 -17.75 . . 0 "[ . 1 . 2]"
199 . 1 124 VAL C 1 125 ALA N 1 125 ALA CA 1 125 ALA C -126.18 -66.18 -109.03 -110.05 -112.77 . . 0 "[ . 1 . 2]"
200 . 1 125 ALA N 1 125 ALA CA 1 125 ALA C 1 126 GLU N -57.82 2.18 -12.12 -8.07 -9.38 . . 0 "[ . 1 . 2]"
201 . 1 125 ALA C 1 126 GLU N 1 126 GLU CA 1 126 GLU C 170.71 -88.29 -162.56 -162.73 -164.94 . . 0 "[ . 1 . 2]"
202 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C 1 127 ARG N 129.71 -170.29 169.95 147.90 -179.63 . . 0 "[ . 1 . 2]"
203 . 1 126 GLU C 1 127 ARG N 1 127 ARG CA 1 127 ARG C -87.63 -27.63 -76.93 -76.08 -77.79 . . 0 "[ . 1 . 2]"
204 . 1 127 ARG N 1 127 ARG CA 1 127 ARG C 1 128 ARG N -72.82 -12.82 -22.72 -30.14 -19.96 . . 0 "[ . 1 . 2]"
205 . 1 127 ARG C 1 128 ARG N 1 128 ARG CA 1 128 ARG C -95.72 -35.72 -58.99 -65.10 -71.29 . . 0 "[ . 1 . 2]"
206 . 1 128 ARG N 1 128 ARG CA 1 128 ARG C 1 129 GLU N -62.83 20.15 -34.24 -49.39 -6.94 . . 0 "[ . 1 . 2]"
207 . 1 128 ARG C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -99.36 -39.36 -72.91 -90.37 -60.30 . . 0 "[ . 1 . 2]"
208 . 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 LEU N -58.31 1.69 -18.28 -17.41 -23.74 . . 0 "[ . 1 . 2]"
209 . 1 129 GLU C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -120.13 -60.13 -94.03 -111.42 -82.16 . . 0 "[ . 1 . 2]"
210 . 1 130 LEU N 1 130 LEU CA 1 130 LEU C 1 131 TYR N -38.97 22.69 3.44 8.08 4.53 1.52 17 0 "[ . 1 . 2]"
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