NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520715 |
2lfp   |
17768 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lfp
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 202
_TA_constraint_stats_list.Viol_count 1355
_TA_constraint_stats_list.Viol_total 30337.51
_TA_constraint_stats_list.Viol_max 9.62
_TA_constraint_stats_list.Viol_rms 0.91
_TA_constraint_stats_list.Viol_average_all_restraints 0.38
_TA_constraint_stats_list.Viol_average_violations_only 1.12
_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 LYS C 1 8 LEU N 1 8 LEU CA 1 8 LEU C -72.42 -58.08 -66.46 -72.94 -73.19 2.07 16 0 "[ . 1 . 2]"
2 . 1 8 LEU N 1 8 LEU CA 1 8 LEU C 1 9 ALA N -50.49 -24.39 -30.26 -25.50 -25.53 1.52 17 0 "[ . 1 . 2]"
3 . 1 8 LEU C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -68.37 -57.21 -64.06 -58.53 -60.95 1.12 16 0 "[ . 1 . 2]"
4 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 SER N -50.82 -34.08 -38.29 -37.89 -39.99 1.15 7 0 "[ . 1 . 2]"
5 . 1 9 ALA C 1 10 SER N 1 10 SER CA 1 10 SER C -75.46 -55.66 -59.80 -65.89 -55.41 0.25 16 0 "[ . 1 . 2]"
6 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 ARG N -45.84 -29.10 -47.36 -48.65 -46.36 2.81 20 0 "[ . 1 . 2]"
7 . 1 10 SER C 1 11 ARG N 1 11 ARG CA 1 11 ARG C -71.21 -52.63 -72.67 -75.42 -61.70 4.21 16 0 "[ . 1 . 2]"
8 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 ALA N -48.57 -40.41 -37.02 -38.75 -34.90 5.51 13 1 "[ . 1 + . 2]"
9 . 1 11 ARG C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -80.36 -52.58 -55.19 -54.85 -56.02 1.02 17 0 "[ . 1 . 2]"
10 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 LEU N -52.62 -24.42 -23.41 -27.00 -22.44 1.98 16 0 "[ . 1 . 2]"
11 . 1 12 ALA C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -72.37 -56.05 -60.48 -61.61 -62.77 0.98 16 0 "[ . 1 . 2]"
12 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 GLN N -50.06 -29.99 -32.52 -40.89 -28.36 1.62 15 0 "[ . 1 . 2]"
13 . 1 13 LEU C 1 14 GLN N 1 14 GLN CA 1 14 GLN C -69.07 -54.65 -68.62 -68.28 -69.32 1.53 12 0 "[ . 1 . 2]"
14 . 1 14 GLN N 1 14 GLN CA 1 14 GLN C 1 15 LYS N -53.40 -38.64 -38.61 -43.70 -36.86 1.78 5 0 "[ . 1 . 2]"
15 . 1 14 GLN C 1 15 LYS N 1 15 LYS CA 1 15 LYS C -67.06 -55.00 -65.56 -68.01 -61.86 0.95 18 0 "[ . 1 . 2]"
16 . 1 15 LYS N 1 15 LYS CA 1 15 LYS C 1 16 ALA N -46.18 -31.00 -32.26 -30.92 -32.49 1.33 14 0 "[ . 1 . 2]"
17 . 1 15 LYS C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -71.85 -59.73 -70.67 -72.53 -66.85 0.68 12 0 "[ . 1 . 2]"
18 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 THR N -54.34 -34.18 -35.42 -42.73 -32.50 1.68 8 0 "[ . 1 . 2]"
19 . 1 16 ALA C 1 17 THR N 1 17 THR CA 1 17 THR C -69.40 -55.15 -69.12 -71.30 -57.25 1.90 2 0 "[ . 1 . 2]"
20 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 VAL N -53.97 -28.26 -38.40 -35.09 -36.65 . . 0 "[ . 1 . 2]"
21 . 1 17 THR C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -78.63 -54.42 -67.28 -72.12 -61.70 . . 0 "[ . 1 . 2]"
22 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 GLU N -52.10 -31.79 -32.49 -39.02 -30.21 1.59 4 0 "[ . 1 . 2]"
23 . 1 18 VAL C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -69.82 -53.74 -70.02 -67.22 -68.10 1.60 20 0 "[ . 1 . 2]"
24 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 ASN N -53.65 -30.35 -32.80 -32.78 -34.12 1.29 10 0 "[ . 1 . 2]"
25 . 1 19 GLU C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -69.56 -59.39 -65.95 -66.53 -68.28 0.87 13 0 "[ . 1 . 2]"
26 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 LEU N -49.88 -34.31 -40.35 -49.92 -33.76 0.56 4 0 "[ . 1 . 2]"
27 . 1 20 ASN C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -65.28 -52.32 -61.70 -59.76 -60.52 0.91 5 0 "[ . 1 . 2]"
28 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 GLU N -55.67 -31.70 -38.44 -38.78 -40.38 0.49 5 0 "[ . 1 . 2]"
29 . 1 21 LEU C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -92.17 -50.92 -78.38 -90.18 -66.08 . . 0 "[ . 1 . 2]"
30 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 SER N -43.53 -3.79 -24.84 -16.57 -21.88 0.55 7 0 "[ . 1 . 2]"
31 . 1 22 GLU C 1 23 SER N 1 23 SER CA 1 23 SER C -115.29 -76.93 -81.99 -90.95 -76.08 0.84 18 0 "[ . 1 . 2]"
32 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 TYR N -49.92 13.35 -25.61 -35.42 -16.98 . . 0 "[ . 1 . 2]"
33 . 1 23 SER C 1 24 TYR N 1 24 TYR CA 1 24 TYR C -121.44 -68.56 -80.34 -84.58 -87.24 . . 0 "[ . 1 . 2]"
34 . 1 24 TYR N 1 24 TYR CA 1 24 TYR C 1 25 GLN N 95.30 161.90 97.24 102.86 99.53 3.13 7 0 "[ . 1 . 2]"
35 . 1 24 TYR C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -76.13 -41.06 -44.59 -46.22 -49.57 1.42 4 0 "[ . 1 . 2]"
36 . 1 25 GLN N 1 25 GLN CA 1 25 GLN C 1 26 PRO N -55.22 -38.10 -44.59 -55.56 -37.80 0.33 4 0 "[ . 1 . 2]"
37 . 1 25 GLN C 1 26 PRO N 1 26 PRO CA 1 26 PRO C -64.48 -50.44 -65.01 -64.94 -65.08 2.02 10 0 "[ . 1 . 2]"
38 . 1 26 PRO N 1 26 PRO CA 1 26 PRO C 1 27 LEU N -50.57 -20.51 -21.57 -28.34 -19.03 1.48 9 0 "[ . 1 . 2]"
39 . 1 26 PRO C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -93.89 -59.72 -76.06 -69.36 -71.45 0.02 5 0 "[ . 1 . 2]"
40 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 MET N -58.70 -16.61 -29.42 -37.76 -40.70 1.17 16 0 "[ . 1 . 2]"
41 . 1 27 LEU C 1 28 MET N 1 28 MET CA 1 28 MET C -76.97 -52.53 -63.42 -76.56 -56.07 . . 0 "[ . 1 . 2]"
42 . 1 28 MET N 1 28 MET CA 1 28 MET C 1 29 GLU N -47.56 -29.86 -28.22 -29.77 -25.97 3.89 1 0 "[ . 1 . 2]"
43 . 1 28 MET C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -94.45 -60.67 -87.53 -95.21 -74.79 0.76 2 0 "[ . 1 . 2]"
44 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 MET N -50.13 -9.30 -20.86 -39.77 -8.94 0.36 3 0 "[ . 1 . 2]"
45 . 1 29 GLU C 1 30 MET N 1 30 MET CA 1 30 MET C -102.08 -78.14 -95.52 -88.25 -92.68 0.71 20 0 "[ . 1 . 2]"
46 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 VAL N -58.15 9.73 -37.06 -56.51 -18.63 . . 0 "[ . 1 . 2]"
47 . 1 30 MET C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -148.23 -123.87 -124.14 -134.18 -120.83 3.04 4 0 "[ . 1 . 2]"
48 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 ASN N 149.23 -179.24 145.03 140.91 148.84 8.32 12 6 "[ . * 1 + *. -* *]"
49 . 1 31 VAL C 1 32 ASN N 1 32 ASN CA 1 32 ASN C -99.32 -57.04 -101.89 -104.39 -99.33 5.07 19 2 "[ . 1 - . +2]"
50 . 1 32 ASN N 1 32 ASN CA 1 32 ASN C 1 33 GLN N -43.15 -8.83 -26.96 -44.46 -8.52 1.31 7 0 "[ . 1 . 2]"
51 . 1 32 ASN C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -136.29 -98.71 -115.11 -120.74 -122.88 2.74 11 0 "[ . 1 . 2]"
52 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 VAL N -27.25 32.31 39.91 37.06 41.92 9.62 11 19 [**********+**-*****2]
53 . 1 33 GLN C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -137.77 -89.35 -86.85 -91.62 -84.47 4.88 7 0 "[ . 1 . 2]"
54 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 THR N 110.40 138.66 108.79 110.05 109.46 3.88 20 0 "[ . 1 . 2]"
55 . 1 34 VAL C 1 35 THR N 1 35 THR CA 1 35 THR C -145.72 -94.00 -142.60 -147.40 -131.55 1.68 10 0 "[ . 1 . 2]"
56 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 GLU N 103.46 168.48 162.10 144.60 170.91 2.43 13 0 "[ . 1 . 2]"
57 . 1 37 SER C 1 38 PRO N 1 38 PRO CA 1 38 PRO C -72.29 -52.79 -70.90 -70.51 -71.28 1.41 6 0 "[ . 1 . 2]"
58 . 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 GLY N 138.38 164.02 144.44 148.14 141.38 2.12 19 0 "[ . 1 . 2]"
59 . 1 39 GLY C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -83.78 -48.80 -70.37 -74.69 -78.21 3.13 18 0 "[ . 1 . 2]"
60 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 ASP N -48.90 -1.28 -18.32 -20.30 -21.58 1.25 17 0 "[ . 1 . 2]"
61 . 1 40 LYS C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -105.89 -81.41 -101.52 -107.11 -91.49 1.22 16 0 "[ . 1 . 2]"
62 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 ASP N -15.20 15.24 12.29 -2.74 16.65 1.41 5 0 "[ . 1 . 2]"
63 . 1 41 ASP C 1 42 ASP N 1 42 ASP CA 1 42 ASP C -125.36 -31.34 -91.48 -119.50 -45.34 . . 0 "[ . 1 . 2]"
64 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 PRO N 65.21 -167.77 161.77 168.30 167.10 . . 0 "[ . 1 . 2]"
65 . 1 42 ASP C 1 43 PRO N 1 43 PRO CA 1 43 PRO C -101.05 -57.61 -70.77 -57.58 -64.21 0.19 16 0 "[ . 1 . 2]"
66 . 1 43 PRO N 1 43 PRO CA 1 43 PRO C 1 44 TYR N 117.05 162.47 147.42 116.77 163.09 0.62 19 0 "[ . 1 . 2]"
67 . 1 43 PRO C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -142.91 -58.49 -79.69 -104.26 -61.62 . . 0 "[ . 1 . 2]"
68 . 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 PRO N 80.56 174.30 143.16 137.80 137.41 . . 0 "[ . 1 . 2]"
69 . 1 44 TYR C 1 45 PRO N 1 45 PRO CA 1 45 PRO C -120.69 -37.87 -80.48 -74.20 -75.83 . . 0 "[ . 1 . 2]"
70 . 1 45 PRO N 1 45 PRO CA 1 45 PRO C 1 46 TYR N 148.73 175.27 149.02 148.53 148.28 1.88 14 0 "[ . 1 . 2]"
71 . 1 45 PRO C 1 46 TYR N 1 46 TYR CA 1 46 TYR C 179.43 -133.15 -167.70 -179.54 -154.63 . . 0 "[ . 1 . 2]"
72 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 VAL N 148.51 165.55 167.78 166.69 166.14 3.87 11 0 "[ . 1 . 2]"
73 . 1 46 TYR C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -137.35 -116.39 -136.21 -138.87 -138.97 1.62 1 0 "[ . 1 . 2]"
74 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 VAL N 115.43 149.05 132.42 135.23 135.05 . . 0 "[ . 1 . 2]"
75 . 1 47 VAL C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -147.31 -113.11 -117.54 -114.09 -115.15 0.35 18 0 "[ . 1 . 2]"
76 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 ILE N 109.02 -166.62 144.30 130.77 163.77 . . 0 "[ . 1 . 2]"
77 . 1 48 VAL C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -126.62 -74.48 -90.33 -88.98 -92.19 0.07 19 0 "[ . 1 . 2]"
78 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 GLY N 102.60 139.62 136.91 124.93 140.64 1.02 19 0 "[ . 1 . 2]"
79 . 1 50 GLY C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -144.95 -39.11 -145.28 -146.86 -140.39 1.91 20 0 "[ . 1 . 2]"
80 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 GLN N 121.54 178.10 143.33 120.68 162.71 0.86 18 0 "[ . 1 . 2]"
81 . 1 51 ASP C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -129.96 -65.38 -102.51 -105.23 -110.66 0.89 3 0 "[ . 1 . 2]"
82 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 SER N 120.95 170.63 144.73 143.13 142.04 0.17 3 0 "[ . 1 . 2]"
83 . 1 55 THR C 1 56 PRO N 1 56 PRO CA 1 56 PRO C -147.48 -50.64 -79.17 -80.34 -81.16 . . 0 "[ . 1 . 2]"
84 . 1 56 PRO N 1 56 PRO CA 1 56 PRO C 1 57 PHE N 114.54 159.93 127.42 114.09 113.93 1.00 10 0 "[ . 1 . 2]"
85 . 1 56 PRO C 1 57 PHE N 1 57 PHE CA 1 57 PHE C -135.52 -101.98 -127.44 -136.35 -103.29 0.83 17 0 "[ . 1 . 2]"
86 . 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1 58 GLU N 103.16 150.02 134.88 101.95 150.92 1.21 10 0 "[ . 1 . 2]"
87 . 1 58 GLU C 1 59 THR N 1 59 THR CA 1 59 THR C -165.32 -122.93 -142.71 -123.51 -131.33 0.56 2 0 "[ . 1 . 2]"
88 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 LYS N 109.72 -177.76 144.41 108.68 -177.47 1.05 2 0 "[ . 1 . 2]"
89 . 1 65 GLU C 1 66 ASN N 1 66 ASN CA 1 66 ASN C 178.59 -112.08 -134.16 -140.57 -151.62 0.57 17 0 "[ . 1 . 2]"
90 . 1 66 ASN N 1 66 ASN CA 1 66 ASN C 1 67 ILE N 127.81 177.79 153.26 152.02 150.60 1.07 6 0 "[ . 1 . 2]"
91 . 1 66 ASN C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -151.55 -107.87 -119.78 -122.06 -123.25 1.63 17 0 "[ . 1 . 2]"
92 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 THR N 122.54 147.41 126.84 121.15 135.52 1.40 6 0 "[ . 1 . 2]"
93 . 1 67 ILE C 1 68 THR N 1 68 THR CA 1 68 THR C -131.14 -85.24 -125.07 -130.41 -131.04 1.32 8 0 "[ . 1 . 2]"
94 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 MET N 118.36 135.90 124.24 116.71 136.43 1.64 16 0 "[ . 1 . 2]"
95 . 1 68 THR C 1 69 MET N 1 69 MET CA 1 69 MET C -153.77 -98.72 -144.42 -139.14 -142.48 1.42 16 0 "[ . 1 . 2]"
96 . 1 69 MET N 1 69 MET CA 1 69 MET C 1 70 ASP N 118.72 160.82 150.31 139.53 133.18 1.45 12 0 "[ . 1 . 2]"
97 . 1 69 MET C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -151.47 -92.49 -131.02 -147.80 -116.73 . . 0 "[ . 1 . 2]"
98 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 PHE N 109.32 163.10 155.18 163.16 158.42 1.29 16 0 "[ . 1 . 2]"
99 . 1 70 ASP C 1 71 PHE N 1 71 PHE CA 1 71 PHE C -153.43 -111.81 -128.44 -142.51 -111.19 0.63 13 0 "[ . 1 . 2]"
100 . 1 71 PHE N 1 71 PHE CA 1 71 PHE C 1 72 HIS N 130.86 162.42 136.93 137.80 136.75 1.46 13 0 "[ . 1 . 2]"
101 . 1 71 PHE C 1 72 HIS N 1 72 HIS CA 1 72 HIS C -154.46 -113.63 -116.02 -121.89 -126.21 1.93 14 0 "[ . 1 . 2]"
102 . 1 72 HIS N 1 72 HIS CA 1 72 HIS C 1 73 VAL N 119.56 146.98 119.79 117.79 127.54 1.77 14 0 "[ . 1 . 2]"
103 . 1 72 HIS C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -135.00 -97.14 -121.85 -127.68 -115.15 . . 0 "[ . 1 . 2]"
104 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 TRP N 112.04 134.45 123.66 129.35 128.65 1.08 5 0 "[ . 1 . 2]"
105 . 1 73 VAL C 1 74 TRP N 1 74 TRP CA 1 74 TRP C -134.85 -90.87 -129.15 -135.12 -116.09 0.27 17 0 "[ . 1 . 2]"
106 . 1 74 TRP N 1 74 TRP CA 1 74 TRP C 1 75 GLY N 106.75 138.10 129.46 114.72 106.63 1.46 10 0 "[ . 1 . 2]"
107 . 1 77 THR C 1 78 THR N 1 78 THR CA 1 78 THR C -163.11 -98.25 -142.26 -164.11 -100.90 1.00 18 0 "[ . 1 . 2]"
108 . 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 ARG N 141.40 174.04 157.86 172.76 170.46 0.02 7 0 "[ . 1 . 2]"
109 . 1 78 THR C 1 79 ARG N 1 79 ARG CA 1 79 ARG C -66.25 -52.49 -57.85 -67.07 -51.05 1.44 1 0 "[ . 1 . 2]"
110 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 ALA N -56.60 -36.40 -37.10 -34.82 -35.11 2.16 10 0 "[ . 1 . 2]"
111 . 1 79 ARG C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -73.36 -54.56 -64.52 -74.04 -53.76 0.80 13 0 "[ . 1 . 2]"
112 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 GLU N -49.13 -36.47 -35.53 -36.28 -33.34 3.13 3 0 "[ . 1 . 2]"
113 . 1 80 ALA C 1 81 GLU N 1 81 GLU CA 1 81 GLU C -71.70 -57.36 -63.58 -71.54 -56.62 0.74 3 0 "[ . 1 . 2]"
114 . 1 81 GLU N 1 81 GLU CA 1 81 GLU C 1 82 ALA N -52.67 -33.89 -34.36 -39.27 -32.24 1.65 13 0 "[ . 1 . 2]"
115 . 1 81 GLU C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -68.67 -56.28 -66.06 -69.49 -61.18 0.83 8 0 "[ . 1 . 2]"
116 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 GLN N -51.49 -30.91 -36.99 -45.79 -29.97 0.94 19 0 "[ . 1 . 2]"
117 . 1 82 ALA C 1 83 GLN N 1 83 GLN CA 1 83 GLN C -77.09 -56.09 -74.79 -70.52 -73.63 0.72 9 0 "[ . 1 . 2]"
118 . 1 83 GLN N 1 83 GLN CA 1 83 GLN C 1 84 ASP N -55.77 -29.37 -37.77 -43.01 -30.86 . . 0 "[ . 1 . 2]"
119 . 1 83 GLN C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -66.41 -59.03 -65.24 -62.56 -64.28 1.19 8 0 "[ . 1 . 2]"
120 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 ILE N -50.38 -36.22 -47.99 -51.94 -42.17 1.56 8 0 "[ . 1 . 2]"
121 . 1 84 ASP C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -72.76 -58.69 -64.30 -62.11 -62.75 0.39 14 0 "[ . 1 . 2]"
122 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 SER N -51.18 -38.58 -39.01 -40.93 -42.76 1.56 20 0 "[ . 1 . 2]"
123 . 1 85 ILE C 1 86 SER N 1 86 SER CA 1 86 SER C -68.03 -52.81 -65.73 -66.19 -67.65 0.72 3 0 "[ . 1 . 2]"
124 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 SER N -49.17 -33.97 -45.41 -50.72 -36.84 1.55 20 0 "[ . 1 . 2]"
125 . 1 86 SER C 1 87 SER N 1 87 SER CA 1 87 SER C -79.54 -55.26 -64.42 -75.43 -57.53 . . 0 "[ . 1 . 2]"
126 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 ARG N -55.19 -20.97 -41.04 -49.38 -27.85 . . 0 "[ . 1 . 2]"
127 . 1 87 SER C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -75.40 -51.94 -68.87 -76.17 -59.56 0.77 14 0 "[ . 1 . 2]"
128 . 1 88 ARG N 1 88 ARG CA 1 88 ARG C 1 89 VAL N -46.15 -29.50 -37.60 -38.83 -42.00 0.77 20 0 "[ . 1 . 2]"
129 . 1 88 ARG C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -69.70 -56.86 -66.57 -70.35 -61.49 0.65 5 0 "[ . 1 . 2]"
130 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 LEU N -49.19 -36.05 -45.98 -50.52 -38.46 1.33 11 0 "[ . 1 . 2]"
131 . 1 89 VAL C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -71.44 -49.72 -66.08 -67.60 -68.80 0.49 3 0 "[ . 1 . 2]"
132 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 GLU N -50.78 -30.59 -40.42 -50.03 -32.05 . . 0 "[ . 1 . 2]"
133 . 1 90 LEU C 1 91 GLU N 1 91 GLU CA 1 91 GLU C -73.57 -57.45 -62.26 -66.64 -57.57 . . 0 "[ . 1 . 2]"
134 . 1 91 GLU N 1 91 GLU CA 1 91 GLU C 1 92 ALA N -51.74 -34.42 -38.56 -47.96 -33.43 0.99 7 0 "[ . 1 . 2]"
135 . 1 91 GLU C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -88.57 -54.65 -64.13 -62.75 -65.23 0.19 20 0 "[ . 1 . 2]"
136 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 LEU N -53.28 -18.15 -48.80 -50.39 -50.83 0.74 10 0 "[ . 1 . 2]"
137 . 1 92 ALA C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -93.40 -45.85 -50.11 -49.45 -49.76 0.40 7 0 "[ . 1 . 2]"
138 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 THR N -50.92 -26.11 -39.62 -50.27 -26.04 0.08 3 0 "[ . 1 . 2]"
139 . 1 93 LEU C 1 94 THR N 1 94 THR CA 1 94 THR C -130.26 -85.44 -107.84 -111.45 -114.17 . . 0 "[ . 1 . 2]"
140 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 TYR N -47.94 7.72 10.32 9.17 12.91 5.19 12 1 "[ . 1 + . 2]"
141 . 1 95 TYR C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -165.29 -105.29 -115.95 -113.16 -115.52 1.03 18 0 "[ . 1 . 2]"
142 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 PRO N 74.07 -155.99 121.87 139.31 137.49 . . 0 "[ . 1 . 2]"
143 . 1 96 LYS C 1 97 PRO N 1 97 PRO CA 1 97 PRO C -136.99 -32.63 -71.39 -80.65 -55.15 . . 0 "[ . 1 . 2]"
144 . 1 97 PRO N 1 97 PRO CA 1 97 PRO C 1 98 LEU N 120.07 162.76 150.82 125.68 163.39 0.64 15 0 "[ . 1 . 2]"
145 . 1 97 PRO C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -147.39 -61.41 -79.65 -74.98 -80.37 . . 0 "[ . 1 . 2]"
146 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 MET N 109.55 153.53 107.46 106.46 109.03 3.09 4 0 "[ . 1 . 2]"
147 . 1 98 LEU C 1 99 MET N 1 99 MET CA 1 99 MET C -143.02 -97.28 -144.27 -145.34 -143.14 2.31 18 0 "[ . 1 . 2]"
148 . 1 99 MET N 1 99 MET CA 1 99 MET C 1 100 PHE N 121.97 162.23 143.14 131.06 162.14 . . 0 "[ . 1 . 2]"
149 . 1 99 MET C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -163.45 -110.25 -135.25 -151.41 -123.40 . . 0 "[ . 1 . 2]"
150 . 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 GLU N 108.64 142.10 111.84 107.04 145.83 3.74 1 0 "[ . 1 . 2]"
151 . 1 102 GLY C 1 103 PHE N 1 103 PHE CA 1 103 PHE C -150.60 -62.78 -107.29 -109.36 -121.28 . . 0 "[ . 1 . 2]"
152 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 THR N 125.30 168.92 125.86 123.57 134.90 1.73 9 0 "[ . 1 . 2]"
153 . 1 103 PHE C 1 104 THR N 1 104 THR CA 1 104 THR C -140.76 -93.75 -108.41 -103.23 -107.32 0.31 19 0 "[ . 1 . 2]"
154 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 PHE N 121.04 155.00 139.50 144.09 144.02 1.34 11 0 "[ . 1 . 2]"
155 . 1 104 THR C 1 105 PHE N 1 105 PHE CA 1 105 PHE C -147.40 -96.76 -131.22 -140.72 -144.35 0.82 1 0 "[ . 1 . 2]"
156 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 VAL N 117.35 170.66 139.93 115.62 159.10 1.73 13 0 "[ . 1 . 2]"
157 . 1 105 PHE C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -152.70 -107.46 -107.12 -109.85 -114.99 1.90 11 0 "[ . 1 . 2]"
158 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 ALA N 116.00 149.26 128.56 115.88 146.25 0.11 19 0 "[ . 1 . 2]"
159 . 1 106 VAL C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -135.00 -82.14 -81.70 -85.21 -80.33 1.81 15 0 "[ . 1 . 2]"
160 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 LYS N 101.82 137.43 131.51 123.07 115.72 1.43 6 0 "[ . 1 . 2]"
161 . 1 107 ALA C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -141.45 -62.88 -117.17 -114.08 -117.69 1.54 9 0 "[ . 1 . 2]"
162 . 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 LYS N 95.06 145.90 114.63 104.30 98.18 0.86 20 0 "[ . 1 . 2]"
163 . 1 114 GLN C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -127.25 -93.65 -111.60 -100.11 -100.20 1.06 13 0 "[ . 1 . 2]"
164 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 ILE N 116.06 138.68 128.90 122.54 120.56 1.60 4 0 "[ . 1 . 2]"
165 . 1 115 VAL C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -150.53 -106.61 -120.49 -136.70 -141.15 0.93 4 0 "[ . 1 . 2]"
166 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 THR N 117.36 166.14 144.13 116.41 167.13 0.99 20 0 "[ . 1 . 2]"
167 . 1 116 ILE C 1 117 THR N 1 117 THR CA 1 117 THR C -119.88 -71.70 -94.13 -96.38 -104.07 1.71 13 0 "[ . 1 . 2]"
168 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 ASP N 111.45 141.81 129.01 109.53 143.87 2.06 3 0 "[ . 1 . 2]"
169 . 1 117 THR C 1 118 ASP N 1 118 ASP CA 1 118 ASP C -136.74 -57.75 -103.52 -105.35 -108.90 1.28 13 0 "[ . 1 . 2]"
170 . 1 118 ASP N 1 118 ASP CA 1 118 ASP C 1 119 THR N 119.02 -176.45 136.76 116.86 171.61 2.16 4 0 "[ . 1 . 2]"
171 . 1 118 ASP C 1 119 THR N 1 119 THR CA 1 119 THR C -71.51 -47.24 -63.63 -73.45 -46.81 1.94 4 0 "[ . 1 . 2]"
172 . 1 119 THR N 1 119 THR CA 1 119 THR C 1 120 ASP N -49.21 -21.49 -24.92 -51.15 -19.93 1.94 7 0 "[ . 1 . 2]"
173 . 1 119 THR C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -89.84 -76.76 -87.72 -90.98 -76.45 1.14 7 0 "[ . 1 . 2]"
174 . 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 GLY N -32.63 23.19 -10.96 -9.73 -10.70 . . 0 "[ . 1 . 2]"
175 . 1 120 ASP C 1 121 GLY N 1 121 GLY CA 1 121 GLY C 53.06 87.24 86.42 78.58 87.76 0.53 7 0 "[ . 1 . 2]"
176 . 1 121 GLY N 1 121 GLY CA 1 121 GLY C 1 122 VAL N -3.79 46.69 26.98 -6.33 48.08 2.54 13 0 "[ . 1 . 2]"
177 . 1 121 GLY C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -127.36 -65.44 -92.46 -129.38 -65.04 2.02 13 0 "[ . 1 . 2]"
178 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 THR N 102.48 148.20 137.55 99.64 151.68 3.48 8 0 "[ . 1 . 2]"
179 . 1 122 VAL C 1 123 THR N 1 123 THR CA 1 123 THR C -90.07 -49.60 -69.75 -94.32 -47.95 4.24 13 0 "[ . 1 . 2]"
180 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 LYS N 119.28 151.08 133.34 151.30 151.27 0.97 11 0 "[ . 1 . 2]"
181 . 1 123 THR C 1 124 LYS N 1 124 LYS CA 1 124 LYS C -126.11 -94.29 -102.23 -126.28 -92.76 1.52 17 0 "[ . 1 . 2]"
182 . 1 124 LYS N 1 124 LYS CA 1 124 LYS C 1 125 HIS N 115.84 140.77 130.30 134.24 130.03 5.46 9 1 "[ . +1 . 2]"
183 . 1 124 LYS C 1 125 HIS N 1 125 HIS CA 1 125 HIS C -133.82 -94.10 -119.23 -109.66 -116.63 4.13 9 0 "[ . 1 . 2]"
184 . 1 125 HIS N 1 125 HIS CA 1 125 HIS C 1 126 GLY N 111.57 148.05 138.94 116.30 150.38 2.33 19 0 "[ . 1 . 2]"
185 . 1 125 HIS C 1 126 GLY N 1 126 GLY CA 1 126 GLY C -131.15 -103.69 -124.86 -132.55 -103.39 1.40 2 0 "[ . 1 . 2]"
186 . 1 126 GLY N 1 126 GLY CA 1 126 GLY C 1 127 ILE N 112.57 171.82 139.70 137.36 134.97 . . 0 "[ . 1 . 2]"
187 . 1 126 GLY C 1 127 ILE N 1 127 ILE CA 1 127 ILE C -140.57 -105.01 -117.00 -127.00 -105.04 . . 0 "[ . 1 . 2]"
188 . 1 127 ILE N 1 127 ILE CA 1 127 ILE C 1 128 ILE N 113.46 146.43 121.39 140.18 132.59 1.10 13 0 "[ . 1 . 2]"
189 . 1 127 ILE C 1 128 ILE N 1 128 ILE CA 1 128 ILE C -144.39 -105.21 -118.07 -140.54 -104.99 0.22 18 0 "[ . 1 . 2]"
190 . 1 128 ILE N 1 128 ILE CA 1 128 ILE C 1 129 LYS N 113.76 146.94 120.45 138.28 131.15 0.98 16 0 "[ . 1 . 2]"
191 . 1 128 ILE C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -142.02 -92.40 -113.78 -119.58 -123.49 . . 0 "[ . 1 . 2]"
192 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 VAL N 120.42 139.50 134.08 138.77 136.76 1.52 2 0 "[ . 1 . 2]"
193 . 1 129 LYS C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -152.49 -110.97 -131.78 -123.55 -125.47 . . 0 "[ . 1 . 2]"
194 . 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 ARG N 110.24 157.01 143.21 142.01 141.61 0.56 19 0 "[ . 1 . 2]"
195 . 1 130 VAL C 1 131 ARG N 1 131 ARG CA 1 131 ARG C -132.46 -101.98 -120.31 -126.55 -132.54 2.65 15 0 "[ . 1 . 2]"
196 . 1 131 ARG N 1 131 ARG CA 1 131 ARG C 1 132 PHE N 115.06 138.76 136.00 140.31 140.25 2.83 19 0 "[ . 1 . 2]"
197 . 1 131 ARG C 1 132 PHE N 1 132 PHE CA 1 132 PHE C -136.57 -97.61 -127.62 -137.33 -100.98 0.76 11 0 "[ . 1 . 2]"
198 . 1 132 PHE N 1 132 PHE CA 1 132 PHE C 1 133 THR N 121.46 152.76 142.47 141.36 140.48 0.66 4 0 "[ . 1 . 2]"
199 . 1 132 PHE C 1 133 THR N 1 133 THR CA 1 133 THR C -143.07 -80.85 -126.90 -115.61 -120.62 . . 0 "[ . 1 . 2]"
200 . 1 133 THR N 1 133 THR CA 1 133 THR C 1 134 ILE N 125.66 142.78 141.44 142.17 141.04 2.29 2 0 "[ . 1 . 2]"
201 . 1 133 THR C 1 134 ILE N 1 134 ILE CA 1 134 ILE C -136.93 -79.63 -114.14 -85.78 -97.02 . . 0 "[ . 1 . 2]"
202 . 1 134 ILE N 1 134 ILE CA 1 134 ILE C 1 135 ASN N 111.92 143.51 129.90 136.29 127.52 0.58 2 0 "[ . 1 . 2]"
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