NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607489 |
5i8n   |
30017 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5i8n
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 213
_TA_constraint_stats_list.Viol_count 919
_TA_constraint_stats_list.Viol_total 68932.09
_TA_constraint_stats_list.Viol_max 158.81
_TA_constraint_stats_list.Viol_rms 14.71
_TA_constraint_stats_list.Viol_average_all_restraints 3.24
_TA_constraint_stats_list.Viol_average_violations_only 7.50
_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 4 LYS C 1 5 MET N 1 5 MET CA 1 5 MET C -156.20 -24.20 -51.46 -152.77 -23.10 1.10 6 0 "[ . 1]"
2 . 1 5 MET N 1 5 MET CA 1 5 MET C 1 6 SER N 113.60 153.20 132.61 116.64 150.33 . . 0 "[ . 1]"
3 . 1 5 MET C 1 6 SER N 1 6 SER CA 1 6 SER C -119.40 -76.20 -86.86 -87.38 -110.17 0.81 5 0 "[ . 1]"
4 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 GLN N 156.80 175.40 177.06 174.01 179.80 4.40 10 0 "[ . 1]"
5 . 1 6 SER C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -64.60 -58.40 -58.30 -59.96 -64.50 2.62 5 0 "[ . 1]"
6 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 LEU N -44.40 -31.40 -45.89 -47.28 -48.01 3.98 6 0 "[ . 1]"
7 . 1 7 GLN C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -70.90 -57.30 -66.08 -65.81 -67.38 0.10 10 0 "[ . 1]"
8 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 GLU N -44.90 -38.90 -44.46 -49.66 -38.67 4.76 10 0 "[ . 1]"
9 . 1 8 LEU C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -67.80 -56.60 -62.40 -61.61 -63.19 2.21 10 0 "[ . 1]"
10 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 ARG N -49.60 -40.00 -48.84 -48.13 -49.70 1.88 9 0 "[ . 1]"
11 . 1 9 GLU C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -68.40 -55.60 -60.72 -68.77 -55.95 0.37 7 0 "[ . 1]"
12 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 ASN N -45.20 -35.00 -36.84 -38.52 -42.64 0.80 9 0 "[ . 1]"
13 . 1 10 ARG C 1 11 ASN N 1 11 ASN CA 1 11 ASN C -68.90 -57.70 -67.13 -69.64 -62.04 0.74 5 0 "[ . 1]"
14 . 1 11 ASN N 1 11 ASN CA 1 11 ASN C 1 12 ILE N -49.70 -37.70 -40.90 -50.15 -35.70 2.00 7 0 "[ . 1]"
15 . 1 11 ASN C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -67.60 -60.40 -62.73 -64.94 -67.88 0.46 9 0 "[ . 1]"
16 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 GLU N -47.00 -36.00 -47.02 -49.51 -40.39 2.51 6 0 "[ . 1]"
17 . 1 12 ILE C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -65.40 -56.00 -61.02 -65.97 -58.34 0.57 7 0 "[ . 1]"
18 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 THR N -44.00 -36.60 -37.95 -42.42 -44.11 4.12 8 0 "[ . 1]"
19 . 1 13 GLU C 1 14 THR N 1 14 THR CA 1 14 THR C -67.60 -59.00 -62.87 -68.60 -57.92 1.08 7 0 "[ . 1]"
20 . 1 14 THR N 1 14 THR CA 1 14 THR C 1 15 ILE N -49.30 -36.90 -40.69 -37.74 -39.01 . . 0 "[ . 1]"
21 . 1 14 THR C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -78.40 -57.60 -65.25 -70.13 -62.49 . . 0 "[ . 1]"
22 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 ILE N -51.30 -30.30 -47.77 -44.55 -46.29 0.77 7 0 "[ . 1]"
23 . 1 15 ILE C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -67.60 -52.80 -59.04 -62.71 -54.41 . . 0 "[ . 1]"
24 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 ASN N -52.00 -38.80 -42.56 -42.77 -52.11 1.86 5 0 "[ . 1]"
25 . 1 16 ILE C 1 17 ASN N 1 17 ASN CA 1 17 ASN C -69.20 -58.20 -66.76 -67.85 -69.39 1.33 1 0 "[ . 1]"
26 . 1 17 ASN N 1 17 ASN CA 1 17 ASN C 1 18 THR N -50.70 -28.90 -37.59 -45.96 -26.99 1.91 6 0 "[ . 1]"
27 . 1 17 ASN C 1 18 THR N 1 18 THR CA 1 18 THR C -75.40 -57.00 -66.91 -63.73 -68.35 0.45 1 0 "[ . 1]"
28 . 1 18 THR N 1 18 THR CA 1 18 THR C 1 19 PHE N -49.50 -35.10 -49.28 -51.59 -44.47 2.09 6 0 "[ . 1]"
29 . 1 18 THR C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -67.80 -54.20 -56.66 -64.07 -53.48 0.72 1 0 "[ . 1]"
30 . 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 HIS N -50.70 -30.90 -43.31 -34.08 -39.83 1.84 4 0 "[ . 1]"
31 . 1 19 PHE C 1 20 HIS N 1 20 HIS CA 1 20 HIS C -69.40 -56.00 -62.16 -58.65 -69.39 1.67 4 0 "[ . 1]"
32 . 1 20 HIS N 1 20 HIS CA 1 20 HIS C 1 21 GLN N -50.70 -24.10 -39.08 -51.22 -20.92 3.18 4 0 "[ . 1]"
33 . 1 20 HIS C 1 21 GLN N 1 21 GLN CA 1 21 GLN C -77.50 -62.30 -67.57 -64.24 -66.49 0.63 5 0 "[ . 1]"
34 . 1 21 GLN N 1 21 GLN CA 1 21 GLN C 1 22 TYR N -47.90 -33.70 -33.60 -37.56 -31.57 2.13 1 0 "[ . 1]"
35 . 1 21 GLN C 1 22 TYR N 1 22 TYR CA 1 22 TYR C -77.90 -57.50 -78.71 -80.21 -76.18 2.31 2 0 "[ . 1]"
36 . 1 22 TYR N 1 22 TYR CA 1 22 TYR C 1 23 SER N -42.20 -28.00 -33.76 -38.74 -30.83 . . 0 "[ . 1]"
37 . 1 22 TYR C 1 23 SER N 1 23 SER CA 1 23 SER C -78.90 -63.70 -76.40 -79.63 -66.63 0.73 7 0 "[ . 1]"
38 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 VAL N -49.10 -30.30 -33.92 -41.62 -28.55 1.75 8 0 "[ . 1]"
39 . 1 23 SER C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -107.70 -58.70 -72.30 -72.11 -73.69 . . 0 "[ . 1]"
40 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 LYS N -44.30 -4.70 -4.40 -7.00 -2.67 2.03 8 0 "[ . 1]"
41 . 1 24 VAL C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -79.20 -55.00 -62.40 -64.86 -58.92 . . 0 "[ . 1]"
42 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 LEU N -51.70 -24.30 -26.17 -30.81 -22.60 1.70 5 0 "[ . 1]"
43 . 1 25 LYS C 1 26 LEU N 1 26 LEU CA 1 26 LEU C -121.10 -90.50 -89.79 -95.68 -86.73 3.77 9 0 "[ . 1]"
44 . 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 GLY N -24.10 12.30 2.43 12.51 -5.60 1.32 7 0 "[ . 1]"
45 . 1 28 HIS C 1 29 PRO N 1 29 PRO CA 1 29 PRO C -69.50 -53.50 -71.69 -77.99 -52.46 8.49 7 8 "[***** +- *]"
46 . 1 29 PRO N 1 29 PRO CA 1 29 PRO C 1 30 ASP N 132.20 154.60 58.26 31.55 166.37 100.65 5 9 "[****+-** *]"
47 . 1 29 PRO C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -120.10 -84.50 -78.53 -72.16 -72.59 14.11 4 8 "[-**+* ** *]"
48 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 THR N -31.30 5.50 1.34 5.81 4.27 7.84 9 1 "[ . +1]"
49 . 1 30 ASP C 1 31 THR N 1 31 THR CA 1 31 THR C -140.20 -110.20 -150.25 -156.74 -157.31 17.62 1 8 "[+*-** ** *]"
50 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 LEU N 135.80 171.00 157.84 139.82 173.10 2.10 1 0 "[ . 1]"
51 . 1 31 THR C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -120.60 -93.00 -101.04 -107.65 -120.37 2.35 9 0 "[ . 1]"
52 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 ASN N 121.90 152.70 120.15 120.89 120.04 4.68 4 0 "[ . 1]"
53 . 1 32 LEU C 1 33 ASN N 1 33 ASN CA 1 33 ASN C -99.40 -83.20 -81.89 -81.77 -82.74 3.56 7 0 "[ . 1]"
54 . 1 33 ASN N 1 33 ASN CA 1 33 ASN C 1 34 GLN N 166.10 -172.10 173.66 163.99 -176.81 2.11 3 0 "[ . 1]"
55 . 1 33 ASN C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -63.10 -50.50 -51.25 -54.78 -48.92 1.58 9 0 "[ . 1]"
56 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 GLY N -46.50 -23.90 -42.20 -40.56 -42.41 . . 0 "[ . 1]"
57 . 1 34 GLN C 1 35 GLY N 1 35 GLY CA 1 35 GLY C -72.60 -57.80 -72.71 -74.05 -68.86 1.45 4 0 "[ . 1]"
58 . 1 35 GLY N 1 35 GLY CA 1 35 GLY C 1 36 GLU N -47.10 -35.10 -40.83 -39.00 -40.20 . . 0 "[ . 1]"
59 . 1 35 GLY C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -69.30 -63.30 -67.16 -65.79 -67.33 0.66 9 0 "[ . 1]"
60 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 PHE N -48.50 -37.50 -40.43 -44.41 -36.10 1.40 9 0 "[ . 1]"
61 . 1 36 GLU C 1 37 PHE N 1 37 PHE CA 1 37 PHE C -64.80 -52.80 -64.04 -65.52 -65.87 1.69 3 0 "[ . 1]"
62 . 1 37 PHE N 1 37 PHE CA 1 37 PHE C 1 38 LYS N -52.60 -41.20 -48.62 -53.36 -43.75 0.76 7 0 "[ . 1]"
63 . 1 37 PHE C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -73.00 -54.20 -56.62 -55.90 -56.84 0.84 4 0 "[ . 1]"
64 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 GLU N -48.00 -33.20 -44.04 -48.43 -33.53 0.43 2 0 "[ . 1]"
65 . 1 38 LYS C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -69.10 -58.10 -64.72 -69.81 -60.82 0.71 5 0 "[ . 1]"
66 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 LEU N -45.00 -35.00 -44.90 -42.90 -44.69 1.82 6 0 "[ . 1]"
67 . 1 39 GLU C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -67.50 -50.90 -57.99 -63.21 -51.72 . . 0 "[ . 1]"
68 . 1 39 GLU C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -67.50 -50.90 -57.99 -63.21 -51.72 . . 0 "[ . 1]"
69 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 VAL N -53.60 -39.40 -50.51 -53.62 -53.64 0.45 9 0 "[ . 1]"
70 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 VAL N -53.80 -39.60 -50.51 -53.62 -53.64 0.25 9 0 "[ . 1]"
71 . 1 40 LEU C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -76.60 -56.20 -60.19 -59.93 -64.40 0.29 6 0 "[ . 1]"
72 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 ARG N -51.80 -38.80 -37.36 -38.48 -36.28 2.52 9 0 "[ . 1]"
73 . 1 41 VAL C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -80.20 -57.20 -69.26 -67.83 -67.89 . . 0 "[ . 1]"
74 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 LYS N -50.00 -33.20 -30.53 -33.54 -28.30 4.90 5 0 "[ . 1]"
75 . 1 43 LYS C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -106.80 -67.80 -100.22 -108.23 -82.94 1.43 9 0 "[ . 1]"
76 . 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 LEU N -40.80 -6.40 -37.10 -34.26 -41.19 2.87 5 0 "[ . 1]"
77 . 1 44 ASP C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -98.10 -57.10 -93.28 -101.98 -78.78 3.88 9 0 "[ . 1]"
78 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 GLN N -45.50 -4.50 3.82 5.02 3.52 10.30 7 10 [*****-+***]
79 . 1 45 LEU C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -76.60 -55.00 -51.53 -51.04 -51.60 5.20 7 1 "[ . + 1]"
80 . 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 ASN N -44.70 -27.10 -22.62 -24.38 -21.22 5.88 6 3 "[* -.+ 1]"
81 . 1 46 GLN C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -114.20 -80.60 -100.05 -97.55 -97.56 . . 0 "[ . 1]"
82 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 PHE N -48.50 -34.90 -45.66 -49.05 -49.68 2.15 8 0 "[ . 1]"
83 . 1 47 ASN C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -88.40 -63.00 -69.83 -65.49 -68.66 0.20 2 0 "[ . 1]"
84 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 LEU N -33.80 -11.80 -35.28 -36.42 -32.33 2.62 2 0 "[ . 1]"
85 . 1 48 PHE C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -111.60 -62.00 -108.17 -112.21 -99.23 0.61 2 0 "[ . 1]"
86 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 LYS N -36.10 20.50 23.85 21.48 26.54 6.04 5 2 "[ +- 1]"
87 . 1 49 LEU C 1 50 LYS N 1 50 LYS CA 1 50 LYS C -67.70 -48.90 -46.96 -47.50 -48.49 4.78 5 0 "[ . 1]"
88 . 1 50 LYS N 1 50 LYS CA 1 50 LYS C 1 51 LYS N -58.70 -40.70 -49.05 -59.50 -39.69 1.01 3 0 "[ . 1]"
89 . 1 50 LYS C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -68.70 -58.50 -62.52 -61.05 -61.63 0.74 10 0 "[ . 1]"
90 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 GLU N -45.40 -31.80 -36.99 -47.48 -30.79 2.08 2 0 "[ . 1]"
91 . 1 51 LYS C 1 52 GLU N 1 52 GLU CA 1 52 GLU C -72.90 -60.70 -73.51 -74.55 -75.19 3.52 4 0 "[ . 1]"
92 . 1 52 GLU N 1 52 GLU CA 1 52 GLU C 1 53 ASN N -45.90 -33.90 -33.92 -31.74 -32.70 2.16 2 0 "[ . 1]"
93 . 1 52 GLU C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -84.90 -58.30 -67.59 -72.78 -62.18 . . 0 "[ . 1]"
94 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 LYS N -41.50 -17.70 -17.19 -21.46 -14.64 3.06 6 0 "[ . 1]"
95 . 1 53 ASN C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -113.30 -84.10 -82.33 -84.36 -80.86 3.24 1 0 "[ . 1]"
96 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 ASN N -17.30 16.50 -8.48 -9.06 -13.99 . . 0 "[ . 1]"
97 . 1 54 LYS C 1 55 ASN N 1 55 ASN CA 1 55 ASN C -146.40 -72.80 -128.72 -139.39 -122.14 . . 0 "[ . 1]"
98 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 GLU N 147.40 169.40 148.09 146.33 145.90 4.12 3 0 "[ . 1]"
99 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 LYS N -51.10 -24.50 -42.35 -51.60 -29.33 0.50 7 0 "[ . 1]"
100 . 1 56 GLU C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -70.50 -54.70 -64.30 -64.62 -65.85 . . 0 "[ . 1]"
101 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 VAL N -55.80 -22.20 -29.07 -29.27 -30.04 . . 0 "[ . 1]"
102 . 1 57 LYS C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -72.40 -63.80 -68.79 -72.85 -64.17 0.45 4 0 "[ . 1]"
103 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ILE N -45.20 -26.00 -39.75 -40.75 -41.42 . . 0 "[ . 1]"
104 . 1 58 VAL C 1 59 ILE N 1 59 ILE CA 1 59 ILE C -70.40 -56.20 -67.16 -64.75 -66.95 0.53 10 0 "[ . 1]"
105 . 1 59 ILE N 1 59 ILE CA 1 59 ILE C 1 60 GLU N -47.40 -36.00 -36.76 -37.43 -37.81 1.54 8 0 "[ . 1]"
106 . 1 59 ILE C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -65.00 -57.20 -61.64 -65.84 -57.44 0.84 2 0 "[ . 1]"
107 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 HIS N -46.30 -37.10 -35.98 -35.18 -35.40 2.55 8 0 "[ . 1]"
108 . 1 60 GLU C 1 61 HIS N 1 61 HIS CA 1 61 HIS C -69.40 -59.60 -64.73 -68.42 -59.61 . . 0 "[ . 1]"
109 . 1 61 HIS N 1 61 HIS CA 1 61 HIS C 1 62 ILE N -48.40 -35.00 -49.05 -48.50 -48.84 2.87 4 0 "[ . 1]"
110 . 1 61 HIS C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -68.80 -58.60 -62.98 -58.65 -62.06 0.52 4 0 "[ . 1]"
111 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 MET N -48.10 -35.30 -34.91 -39.21 -33.15 2.15 4 0 "[ . 1]"
112 . 1 62 ILE C 1 63 MET N 1 63 MET CA 1 63 MET C -66.20 -52.00 -58.45 -62.08 -52.88 . . 0 "[ . 1]"
113 . 1 63 MET N 1 63 MET CA 1 63 MET C 1 64 GLU N -52.30 -39.10 -47.37 -50.35 -50.87 1.24 10 0 "[ . 1]"
114 . 1 62 ILE C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -65.90 -54.10 -34.50 -33.41 -34.04 21.57 2 10 [*+-*******]
115 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 ASP N -48.90 -39.10 -28.72 -28.26 -28.54 12.25 9 10 [********+-]
116 . 1 64 GLU C 1 65 ASP N 1 65 ASP CA 1 65 ASP C -80.30 -59.10 -56.82 -57.88 -58.87 3.48 6 0 "[ . 1]"
117 . 1 65 ASP N 1 65 ASP CA 1 65 ASP C 1 66 LEU N -48.00 -34.40 -36.09 -38.86 -39.40 1.24 3 0 "[ . 1]"
118 . 1 65 ASP C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -96.00 -72.40 -83.21 -95.16 -72.23 0.17 7 0 "[ . 1]"
119 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 ASP N -45.30 -13.70 -21.40 -34.41 -11.80 1.90 6 0 "[ . 1]"
120 . 1 66 LEU C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -110.00 -64.40 -65.03 -66.50 -68.50 4.90 3 0 "[ . 1]"
121 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 THR N 70.30 94.30 83.93 78.93 78.37 0.42 6 0 "[ . 1]"
122 . 1 67 ASP C 1 68 THR N 1 68 THR CA 1 68 THR C -68.70 -49.30 -64.81 -68.80 -69.06 2.86 4 0 "[ . 1]"
123 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 ASN N -44.10 -22.70 -27.31 -25.22 -26.30 1.54 6 0 "[ . 1]"
124 . 1 68 THR C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -104.60 -88.80 -88.80 -96.71 -85.23 3.57 4 0 "[ . 1]"
125 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 ALA N 1.20 20.20 -3.32 -6.31 -0.31 7.51 10 5 "[ ** * - +]"
126 . 1 69 ASN C 1 70 ALA N 1 70 ALA CA 1 70 ALA C 43.00 67.80 53.18 48.69 56.61 . . 0 "[ . 1]"
127 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 ASP N 26.40 49.40 29.95 23.92 41.72 2.48 8 0 "[ . 1]"
128 . 1 70 ALA C 1 71 ASP N 1 71 ASP CA 1 71 ASP C -115.20 -75.40 -118.16 -120.70 -116.30 5.50 4 1 "[ +. 1]"
129 . 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 LYS N -0.10 22.50 17.27 14.82 10.79 0.37 8 0 "[ . 1]"
130 . 1 71 ASP C 1 72 LYS N 1 72 LYS CA 1 72 LYS C 55.90 64.50 65.02 64.04 63.63 1.82 8 0 "[ . 1]"
131 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 GLN N 26.20 53.60 40.49 39.68 38.90 . . 0 "[ . 1]"
132 . 1 72 LYS C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -142.60 -112.80 -142.51 -138.50 -141.06 2.07 8 0 "[ . 1]"
133 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 LEU N 143.80 173.80 143.21 138.31 166.57 5.49 3 1 "[ + . 1]"
134 . 1 73 GLN C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -127.90 -98.50 -114.74 -122.06 -129.67 1.77 1 0 "[ . 1]"
135 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 SER N 116.60 156.40 115.14 114.25 113.36 3.78 4 0 "[ . 1]"
136 . 1 74 LEU C 1 75 SER N 1 75 SER CA 1 75 SER C -99.30 -67.70 -77.53 -76.14 -76.16 . . 0 "[ . 1]"
137 . 1 75 SER N 1 75 SER CA 1 75 SER C 1 76 PHE N 130.70 -171.50 163.93 171.15 170.42 . . 0 "[ . 1]"
138 . 1 75 SER C 1 76 PHE N 1 76 PHE CA 1 76 PHE C -65.30 -51.10 -50.77 -53.84 -45.60 5.50 8 1 "[ . + 1]"
139 . 1 76 PHE N 1 76 PHE CA 1 76 PHE C 1 77 GLU N -49.60 -40.60 -39.37 -40.79 -44.65 6.32 8 1 "[ . + 1]"
140 . 1 76 PHE C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -76.30 -58.70 -65.80 -75.05 -56.58 2.12 8 0 "[ . 1]"
141 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 GLU N -49.00 -21.40 -34.56 -32.52 -33.67 . . 0 "[ . 1]"
142 . 1 77 GLU C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -85.90 -49.70 -73.85 -74.39 -76.15 0.15 6 0 "[ . 1]"
143 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 PHE N -48.60 -37.40 -44.90 -46.22 -47.49 2.16 3 0 "[ . 1]"
144 . 1 78 GLU C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -74.90 -58.30 -70.82 -76.76 -57.63 1.86 7 0 "[ . 1]"
145 . 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 ILE N -49.00 -28.60 -30.04 -26.34 -26.76 3.19 10 0 "[ . 1]"
146 . 1 79 PHE C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -75.10 -53.90 -67.12 -69.84 -64.93 . . 0 "[ . 1]"
147 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 MET N -53.30 -30.90 -39.74 -38.19 -40.09 0.08 7 0 "[ . 1]"
148 . 1 80 ILE C 1 81 MET N 1 81 MET CA 1 81 MET C -88.30 -53.50 -56.34 -58.67 -63.92 1.04 8 0 "[ . 1]"
149 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 LEU N -43.90 -17.50 -34.05 -38.12 -26.23 . . 0 "[ . 1]"
150 . 1 81 MET C 1 82 LEU N 1 82 LEU CA 1 82 LEU C -72.40 -58.40 -62.16 -69.91 -57.86 0.54 1 0 "[ . 1]"
151 . 1 82 LEU N 1 82 LEU CA 1 82 LEU C 1 83 MET N -44.90 -27.90 -39.72 -40.31 -41.80 . . 0 "[ . 1]"
152 . 1 82 LEU C 1 83 MET N 1 83 MET CA 1 83 MET C -81.20 -56.80 -61.20 -60.23 -61.51 . . 0 "[ . 1]"
153 . 1 83 MET N 1 83 MET CA 1 83 MET C 1 84 ALA N -40.30 -17.70 -28.23 -34.54 -20.95 . . 0 "[ . 1]"
154 . 1 83 MET C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -97.50 -51.30 -75.48 -74.74 -75.59 . . 0 "[ . 1]"
155 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 ARG N -43.40 -17.80 -38.03 -38.02 -38.25 1.13 3 0 "[ . 1]"
156 . 1 84 ALA C 1 85 ARG N 1 85 ARG CA 1 85 ARG C -91.10 -51.70 -62.84 -68.12 -59.05 . . 0 "[ . 1]"
157 . 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 LEU N -44.60 -31.20 -37.78 -40.18 -42.79 . . 0 "[ . 1]"
158 . 1 85 ARG C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -100.90 -60.50 -71.21 -70.86 -72.29 . . 0 "[ . 1]"
159 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 THR N -41.60 -3.40 -30.18 -34.24 -25.05 . . 0 "[ . 1]"
160 . 1 86 LEU C 1 87 THR N 1 87 THR CA 1 87 THR C -116.30 -66.10 -66.62 -70.86 -63.97 2.13 3 0 "[ . 1]"
161 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 TRP N -42.70 10.90 -35.94 -48.16 -26.36 5.46 3 1 "[ + . 1]"
162 . 1 87 THR C 1 88 TRP N 1 88 TRP CA 1 88 TRP C -119.00 -67.00 -67.96 -65.45 -66.06 1.92 6 0 "[ . 1]"
163 . 1 88 TRP N 1 88 TRP CA 1 88 TRP C 1 89 ALA N -35.30 12.10 -36.95 -36.23 -36.76 3.76 9 0 "[ . 1]"
164 . 1 88 TRP C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -96.40 -55.60 -66.98 -60.26 -63.48 . . 0 "[ . 1]"
165 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 SER N -44.90 -1.50 -39.04 -38.53 -41.04 6.23 3 1 "[ + . 1]"
166 . 1 89 ALA C 1 90 SER N 1 90 SER CA 1 90 SER C -98.10 -69.90 -74.89 -69.95 -72.18 1.89 9 0 "[ . 1]"
167 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 HIS N -36.00 2.80 -24.63 -44.35 -1.54 8.35 3 1 "[ + . 1]"
168 . 1 90 SER C 1 91 HIS N 1 91 HIS CA 1 91 HIS C -173.50 -41.30 -71.37 -62.81 -64.55 . . 0 "[ . 1]"
169 . 1 91 HIS N 1 91 HIS CA 1 91 HIS C 1 92 GLU N 107.10 -162.30 -34.87 -43.01 -16.90 129.82 6 10 [**-**+****]
170 . 1 91 HIS C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -95.10 -55.70 -79.07 -98.71 -67.74 3.61 3 0 "[ . 1]"
171 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 LYS N -40.70 -14.50 -30.00 -26.28 -29.54 . . 0 "[ . 1]"
172 . 1 92 GLU C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -110.70 -82.50 -87.55 -117.63 -80.52 6.93 3 1 "[ + . 1]"
173 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 MET N -19.40 12.40 -13.73 -17.00 -20.52 4.40 3 0 "[ . 1]"
174 . 1 93 LYS C 1 94 MET N 1 94 MET CA 1 94 MET C -116.00 -64.20 -77.18 -63.23 -64.15 3.27 5 0 "[ . 1]"
175 . 1 94 MET N 1 94 MET CA 1 94 MET C 1 95 HIS N 121.00 161.20 -11.19 -20.66 -24.76 158.81 3 10 [**+*****-*]
176 . 1 94 MET C 1 95 HIS N 1 95 HIS CA 1 95 HIS C -102.00 -68.00 -83.50 -78.89 -79.18 7.29 3 1 "[ + . 1]"
177 . 1 95 HIS N 1 95 HIS CA 1 95 HIS C 1 96 GLU N -31.10 7.70 82.17 77.08 71.03 102.82 7 10 [**-***+***]
178 . 1 95 HIS C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -110.80 -50.20 -77.45 -59.20 -60.96 4.05 3 0 "[ . 1]"
179 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 GLY N 104.20 156.40 148.30 144.03 124.78 9.65 8 2 "[ . + -]"
180 . 1 96 GLU C 1 97 GLY N 1 97 GLY CA 1 97 GLY C -81.50 -53.50 -58.07 -52.62 -56.15 8.44 10 1 "[ . +]"
181 . 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 ASP N -42.00 -15.80 -26.89 -57.92 -4.04 15.92 9 6 "[ ***. *-+1]"
182 . 1 97 GLY C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -106.30 -72.10 -89.63 -127.67 -64.00 21.37 9 7 "[ ***. *-+*]"
183 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 GLU N -29.10 -2.70 -27.08 -43.83 -0.15 14.73 7 3 "[ . + -*]"
184 . 1 98 ASP C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -115.50 -70.70 -96.31 -125.43 -66.97 9.93 10 2 "[ . - +]"
185 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 GLY N -32.40 18.40 -8.02 -8.53 -20.74 6.27 10 1 "[ . +]"
186 . 1 99 GLU C 1 100 GLY N 1 100 GLY CA 1 100 GLY C 168.30 -64.30 -156.82 -80.59 -137.23 2.85 10 0 "[ . 1]"
187 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C 1 101 PRO N 82.00 -164.80 141.09 116.57 88.17 11.41 4 3 "[ *+. - 1]"
188 . 1 100 GLY C 1 101 PRO N 1 101 PRO CA 1 101 PRO C -72.50 -59.50 -66.44 -64.54 -72.34 9.88 3 2 "[ +-. 1]"
189 . 1 101 PRO N 1 101 PRO CA 1 101 PRO C 1 102 GLY N 138.30 157.30 150.82 154.78 137.12 6.98 4 2 "[ +- 1]"
190 . 1 101 PRO C 1 102 GLY N 1 102 GLY CA 1 102 GLY C -108.70 -82.50 -90.77 -90.05 -100.45 7.95 4 4 "[ * +* - 1]"
191 . 1 102 GLY N 1 102 GLY CA 1 102 GLY C 1 103 HIS N -56.60 -10.20 -21.42 -23.58 -36.02 3.27 8 0 "[ . 1]"
192 . 1 102 GLY C 1 103 HIS N 1 103 HIS CA 1 103 HIS C -169.50 -142.70 -142.24 -142.49 -148.70 4.78 5 0 "[ . 1]"
193 . 1 103 HIS N 1 103 HIS CA 1 103 HIS C 1 104 HIS N 134.00 161.80 131.62 121.08 144.90 12.92 2 4 "[ +-** 1]"
194 . 1 103 HIS C 1 104 HIS N 1 104 HIS CA 1 104 HIS C -144.20 -96.00 -120.35 -157.71 -93.81 13.51 2 3 "[ + *- 1]"
195 . 1 104 HIS N 1 104 HIS CA 1 104 HIS C 1 105 HIS N 97.10 156.50 140.56 146.77 135.36 10.68 5 2 "[ + -]"
196 . 1 104 HIS C 1 105 HIS N 1 105 HIS CA 1 105 HIS C -146.10 -101.10 -116.98 -100.44 -100.62 10.39 5 1 "[ + 1]"
197 . 1 105 HIS N 1 105 HIS CA 1 105 HIS C 1 106 LYS N 129.30 158.10 145.54 127.43 163.75 5.65 9 1 "[ . +1]"
198 . 1 105 HIS C 1 106 LYS N 1 106 LYS CA 1 106 LYS C -136.50 -70.30 -96.74 -136.95 -67.07 3.23 6 0 "[ . 1]"
199 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C 1 107 PRO N 105.40 154.60 122.78 103.85 144.24 1.55 8 0 "[ . 1]"
200 . 1 106 LYS C 1 107 PRO N 1 107 PRO CA 1 107 PRO C -64.80 -53.60 -62.35 -73.76 -48.05 8.96 10 6 "[-** .* * +]"
201 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 GLY N 140.00 155.40 155.25 155.78 151.77 9.45 5 4 "[ -* + * 1]"
202 . 1 107 PRO C 1 108 GLY N 1 108 GLY CA 1 108 GLY C 53.70 89.30 80.32 90.14 51.31 8.91 5 2 "[- + 1]"
203 . 1 108 GLY N 1 108 GLY CA 1 108 GLY C 1 109 LEU N -6.50 41.50 12.92 28.40 -6.62 39.33 1 5 "[+ - ** *1]"
204 . 1 108 GLY C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -114.30 -80.30 -105.57 -114.83 -141.36 31.18 1 4 "[+ -* *1]"
205 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 GLY N -39.20 22.20 -42.93 -46.35 -49.74 19.36 6 4 "[* .+ -*1]"
206 . 1 109 LEU C 1 110 GLY N 1 110 GLY CA 1 110 GLY C -118.10 -94.70 -125.72 -124.38 -132.16 16.54 6 6 "[* -+***1]"
207 . 1 110 GLY N 1 110 GLY CA 1 110 GLY C 1 111 GLU N -14.30 31.10 -2.89 -16.90 42.51 11.41 7 1 "[ . + 1]"
208 . 1 110 GLY C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -109.70 -54.10 -77.10 -110.06 -45.07 9.03 7 1 "[ . + 1]"
209 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 GLY N 123.70 150.50 150.98 154.78 152.77 6.62 3 3 "[ + - *]"
210 . 1 111 GLU C 1 112 GLY N 1 112 GLY CA 1 112 GLY C -133.90 -90.70 -118.55 -103.80 -111.25 2.39 7 0 "[ . 1]"
211 . 1 112 GLY N 1 112 GLY CA 1 112 GLY C 1 113 THR N 112.50 167.10 114.34 104.87 172.47 7.63 2 4 "[ +* * - 1]"
212 . 1 112 GLY C 1 113 THR N 1 113 THR CA 1 113 THR C -150.80 -99.40 -127.44 -152.75 -98.87 1.95 2 0 "[ . 1]"
213 . 1 113 THR N 1 113 THR CA 1 113 THR C 1 114 PRO N 115.80 173.40 130.23 113.77 157.24 2.03 9 0 "[ . 1]"
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