NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
523150 |
2l5v   |
17286 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2l5v
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 174
_TA_constraint_stats_list.Viol_count 363
_TA_constraint_stats_list.Viol_total 12545.74
_TA_constraint_stats_list.Viol_max 8.48
_TA_constraint_stats_list.Viol_rms 0.72
_TA_constraint_stats_list.Viol_average_all_restraints 0.18
_TA_constraint_stats_list.Viol_average_violations_only 1.73
_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 LEU C 1 8 SER N 1 8 SER CA 1 8 SER C -130.42 -20.66 -79.13 -117.41 -52.03 . . 0 "[ . 1 . 2]"
2 . 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 ASP N -67.97 -0.01 -23.77 -61.99 6.04 6.05 8 2 "[ -. + 1 . 2]"
3 . 1 8 SER C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -88.66 -46.30 -70.05 -83.44 -50.75 . . 0 "[ . 1 . 2]"
4 . 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 LEU N -57.20 -19.52 -32.08 -51.17 -17.79 1.73 4 0 "[ . 1 . 2]"
5 . 1 9 ASP C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -101.30 -37.94 -78.78 -81.28 -83.51 1.43 4 0 "[ . 1 . 2]"
6 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 GLN N -90.07 29.89 -5.57 0.90 -1.62 . . 0 "[ . 1 . 2]"
7 . 1 10 LEU C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -89.77 -47.17 -76.80 -84.22 -86.06 1.75 1 0 "[ . 1 . 2]"
8 . 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 SER N -68.75 -0.87 -22.66 -27.34 -31.82 0.39 19 0 "[ . 1 . 2]"
9 . 1 11 GLN C 1 12 SER N 1 12 SER CA 1 12 SER C -95.23 -47.87 -70.02 -92.01 -56.58 . . 0 "[ . 1 . 2]"
10 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 ILE N -59.97 -2.89 -23.48 -19.85 -23.08 . . 0 "[ . 1 . 2]"
11 . 1 12 SER C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -84.54 -47.62 -74.52 -61.13 -65.38 3.48 15 0 "[ . 1 . 2]"
12 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 LEU N -80.81 13.47 -19.06 -36.04 5.43 . . 0 "[ . 1 . 2]"
13 . 1 13 ILE C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -127.88 -25.84 -88.92 -117.38 -74.11 . . 0 "[ . 1 . 2]"
14 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 ALA N -74.48 27.08 4.98 -33.51 22.25 . . 0 "[ . 1 . 2]"
15 . 1 14 LEU C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -108.81 -41.57 -77.29 -78.56 -89.04 0.87 18 0 "[ . 1 . 2]"
16 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 THR N -89.62 46.86 -23.47 -78.34 49.53 2.67 17 0 "[ . 1 . 2]"
17 . 1 18 ASN C 1 19 VAL N 1 19 VAL CA 1 19 VAL C -136.34 -61.06 -114.57 -131.52 -83.43 . . 0 "[ . 1 . 2]"
18 . 1 19 VAL N 1 19 VAL CA 1 19 VAL C 1 20 PRO N 87.89 -172.07 119.93 86.65 146.90 1.24 20 0 "[ . 1 . 2]"
19 . 1 19 VAL C 1 20 PRO N 1 20 PRO CA 1 20 PRO C -129.53 -20.65 -74.28 -66.13 -69.02 . . 0 "[ . 1 . 2]"
20 . 1 20 PRO N 1 20 PRO CA 1 20 PRO C 1 21 ALA N 129.37 165.85 145.37 122.61 169.61 6.76 16 1 "[ . 1 .+ 2]"
21 . 1 29 VAL C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -127.36 -47.56 -77.22 -65.13 -67.84 . . 0 "[ . 1 . 2]"
22 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 LEU N 75.88 171.88 107.30 113.68 110.30 . . 0 "[ . 1 . 2]"
23 . 1 30 ASP C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -68.27 -47.69 -68.14 -66.09 -67.62 5.90 3 1 "[ + . 1 . 2]"
24 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 ALA N -51.57 -6.81 -28.26 -32.91 -33.71 . . 0 "[ . 1 . 2]"
25 . 1 31 LEU C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -89.02 -51.26 -62.70 -71.27 -58.64 . . 0 "[ . 1 . 2]"
26 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 SER N -49.00 2.20 -16.62 -26.18 -6.67 . . 0 "[ . 1 . 2]"
27 . 1 32 ALA C 1 33 SER N 1 33 SER CA 1 33 SER C -102.66 -52.10 -71.19 -74.90 -79.11 . . 0 "[ . 1 . 2]"
28 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 VAL N -55.40 -12.08 -25.17 -55.50 -10.62 1.46 3 0 "[ . 1 . 2]"
29 . 1 36 THR C 1 37 PRO N 1 37 PRO CA 1 37 PRO C -69.99 -42.99 -49.47 -50.37 -53.06 2.99 13 0 "[ . 1 . 2]"
30 . 1 37 PRO N 1 37 PRO CA 1 37 PRO C 1 38 GLU N -63.48 -9.24 -40.92 -54.01 -22.85 . . 0 "[ . 1 . 2]"
31 . 1 37 PRO C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -71.17 -44.53 -65.89 -71.97 -59.23 0.80 16 0 "[ . 1 . 2]"
32 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ILE N -69.64 -10.18 -21.43 -25.90 -26.06 2.82 20 0 "[ . 1 . 2]"
33 . 1 38 GLU C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -96.72 -46.44 -94.77 -84.25 -88.28 2.77 16 0 "[ . 1 . 2]"
34 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 MET N -57.56 -10.76 -43.79 -44.90 -45.78 . . 0 "[ . 1 . 2]"
35 . 1 39 ILE C 1 40 MET N 1 40 MET CA 1 40 MET C -118.04 -59.96 -71.49 -70.50 -71.60 . . 0 "[ . 1 . 2]"
36 . 1 40 MET N 1 40 MET CA 1 40 MET C 1 41 ALA N -45.31 30.53 -35.30 -41.05 -24.41 . . 0 "[ . 1 . 2]"
37 . 1 40 MET C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -72.72 -38.48 -54.07 -47.99 -50.62 . . 0 "[ . 1 . 2]"
38 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 PRO N -68.92 -15.36 -55.47 -60.47 -51.58 . . 0 "[ . 1 . 2]"
39 . 1 41 ALA C 1 42 PRO N 1 42 PRO CA 1 42 PRO C -66.43 -50.31 -63.08 -67.89 -58.12 1.46 6 0 "[ . 1 . 2]"
40 . 1 42 PRO N 1 42 PRO CA 1 42 PRO C 1 43 ILE N -51.04 -11.92 -28.15 -38.67 -10.54 1.38 6 0 "[ . 1 . 2]"
41 . 1 42 PRO C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -103.06 -39.98 -78.94 -73.38 -77.43 . . 0 "[ . 1 . 2]"
42 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 LEU N -58.17 -23.21 -46.06 -46.00 -46.43 . . 0 "[ . 1 . 2]"
43 . 1 43 ILE C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -85.36 -40.72 -70.45 -70.94 -71.67 . . 0 "[ . 1 . 2]"
44 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 ALA N -45.18 -11.58 -19.53 -31.97 -8.85 2.73 4 0 "[ . 1 . 2]"
45 . 1 44 LEU C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -125.36 -62.72 -78.48 -82.23 -83.43 . . 0 "[ . 1 . 2]"
46 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 ASN N -53.51 35.29 -2.50 1.84 -1.22 . . 0 "[ . 1 . 2]"
47 . 1 45 ALA C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -98.54 -66.42 -81.88 -82.78 -86.47 3.26 9 0 "[ . 1 . 2]"
48 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 ALA N 75.15 141.27 128.24 116.89 138.29 . . 0 "[ . 1 . 2]"
49 . 1 46 ASN C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -64.44 -50.36 -61.73 -63.10 -64.87 1.54 14 0 "[ . 1 . 2]"
50 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 ASP N -63.11 -16.71 -27.14 -27.21 -28.31 . . 0 "[ . 1 . 2]"
51 . 1 47 ALA C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -79.74 -49.26 -60.57 -69.77 -53.88 . . 0 "[ . 1 . 2]"
52 . 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 VAL N -47.97 -30.89 -45.42 -52.04 -37.88 4.07 2 0 "[ . 1 . 2]"
53 . 1 48 ASP C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -91.01 -49.97 -80.88 -79.18 -79.99 0.43 9 0 "[ . 1 . 2]"
54 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 GLN N -59.28 -16.92 -30.56 -36.47 -24.34 . . 0 "[ . 1 . 2]"
55 . 1 49 VAL C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -73.36 -53.72 -59.88 -67.12 -54.24 . . 0 "[ . 1 . 2]"
56 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 GLU N -49.33 -29.33 -32.14 -38.72 -45.93 5.69 15 2 "[ . - 1 + 2]"
57 . 1 50 GLN C 1 51 GLU N 1 51 GLU CA 1 51 GLU C -80.49 -48.93 -58.54 -54.76 -54.86 . . 0 "[ . 1 . 2]"
58 . 1 51 GLU N 1 51 GLU CA 1 51 GLU C 1 52 ARG N -56.96 -18.60 -33.62 -33.33 -34.96 . . 0 "[ . 1 . 2]"
59 . 1 51 GLU C 1 52 ARG N 1 52 ARG CA 1 52 ARG C -101.34 -47.86 -88.71 -103.91 -75.54 2.57 11 0 "[ . 1 . 2]"
60 . 1 52 ARG N 1 52 ARG CA 1 52 ARG C 1 53 LEU N -57.15 5.13 -16.22 7.58 -4.14 2.45 2 0 "[ . 1 . 2]"
61 . 1 52 ARG C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -94.34 -62.86 -87.79 -95.82 -74.48 1.48 8 0 "[ . 1 . 2]"
62 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 LEU N -44.18 3.58 -10.68 -5.06 -7.11 . . 0 "[ . 1 . 2]"
63 . 1 53 LEU C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -75.37 -33.81 -57.61 -73.26 -50.78 . . 0 "[ . 1 . 2]"
64 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 PRO N -65.13 -17.25 -50.35 -54.51 -47.60 . . 0 "[ . 1 . 2]"
65 . 1 54 LEU C 1 55 PRO N 1 55 PRO CA 1 55 PRO C -78.05 -42.83 -74.22 -80.01 -61.61 1.96 17 0 "[ . 1 . 2]"
66 . 1 55 PRO N 1 55 PRO CA 1 55 PRO C 1 56 TYR N -47.47 -3.49 -4.95 0.73 -0.70 8.46 10 1 "[ . + . 2]"
67 . 1 56 TYR C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -112.51 -40.23 -64.45 -86.18 -49.06 . . 0 "[ . 1 . 2]"
68 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 PRO N 107.23 153.79 123.23 107.65 141.38 . . 0 "[ . 1 . 2]"
69 . 1 59 SER C 1 60 GLY N 1 60 GLY CA 1 60 GLY C 63.36 116.52 90.70 63.58 120.25 3.73 16 0 "[ . 1 . 2]"
70 . 1 60 GLY N 1 60 GLY CA 1 60 GLY C 1 61 GLU N -42.76 25.76 -9.13 5.72 -1.72 3.14 11 0 "[ . 1 . 2]"
71 . 1 61 GLU C 1 62 SER N 1 62 SER CA 1 62 SER C -162.69 -76.01 -136.31 -168.54 -75.08 5.85 13 3 "[ - . 1 + .* 2]"
72 . 1 62 SER N 1 62 SER CA 1 62 SER C 1 63 LEU N 111.45 -174.55 151.71 143.35 124.69 4.83 1 0 "[ . 1 . 2]"
73 . 1 62 SER C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -145.60 -61.12 -102.72 -143.27 -61.66 . . 0 "[ . 1 . 2]"
74 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 PRO N 72.78 168.30 150.54 118.72 168.22 . . 0 "[ . 1 . 2]"
75 . 1 66 THR C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -79.55 -42.71 -62.99 -66.23 -70.83 . . 0 "[ . 1 . 2]"
76 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 ASP N -52.39 -17.39 -30.79 -28.62 -29.95 . . 0 "[ . 1 . 2]"
77 . 1 67 ALA C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -75.53 -56.61 -59.24 -56.84 -57.65 1.06 16 0 "[ . 1 . 2]"
78 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 GLU N -51.55 -32.15 -43.90 -54.27 -30.67 2.72 20 0 "[ . 1 . 2]"
79 . 1 68 ASP C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -71.67 -59.39 -66.70 -74.11 -58.83 2.44 8 0 "[ . 1 . 2]"
80 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 ILE N -55.46 -22.02 -39.95 -43.33 -47.67 . . 0 "[ . 1 . 2]"
81 . 1 69 GLU C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -78.49 -53.01 -67.44 -67.82 -67.88 . . 0 "[ . 1 . 2]"
82 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 GLN N -58.82 -23.26 -39.43 -51.45 -27.70 . . 0 "[ . 1 . 2]"
83 . 1 70 ILE C 1 71 GLN N 1 71 GLN CA 1 71 GLN C -91.77 -46.41 -76.02 -82.44 -64.55 . . 0 "[ . 1 . 2]"
84 . 1 71 GLN N 1 71 GLN CA 1 71 GLN C 1 72 ASN N -60.18 -14.42 -22.97 -51.49 -10.66 3.76 18 0 "[ . 1 . 2]"
85 . 1 71 GLN C 1 72 ASN N 1 72 ASN CA 1 72 ASN C -117.72 -50.36 -82.93 -69.49 -74.32 . . 0 "[ . 1 . 2]"
86 . 1 72 ASN N 1 72 ASN CA 1 72 ASN C 1 73 THR N -73.91 14.49 -28.15 -48.07 13.46 . . 0 "[ . 1 . 2]"
87 . 1 72 ASN C 1 73 THR N 1 73 THR CA 1 73 THR C -114.85 -46.89 -79.21 -100.47 -60.12 . . 0 "[ . 1 . 2]"
88 . 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 LEU N -64.22 11.10 -25.35 -63.75 16.58 5.48 12 2 "[ -. 1 + . 2]"
89 . 1 77 PRO C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -73.38 -58.42 -61.52 -73.43 -55.88 2.54 7 0 "[ . 1 . 2]"
90 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 PHE N -49.87 -30.79 -34.47 -37.86 -46.85 5.96 9 1 "[ . +1 . 2]"
91 . 1 78 GLN C 1 79 PHE N 1 79 PHE CA 1 79 PHE C -72.18 -58.82 -64.84 -63.36 -63.92 0.25 11 0 "[ . 1 . 2]"
92 . 1 79 PHE N 1 79 PHE CA 1 79 PHE C 1 80 GLN N -52.94 -33.54 -49.21 -49.09 -49.96 2.61 10 0 "[ . 1 . 2]"
93 . 1 79 PHE C 1 80 GLN N 1 80 GLN CA 1 80 GLN C -70.50 -55.02 -65.10 -70.18 -59.07 . . 0 "[ . 1 . 2]"
94 . 1 80 GLN N 1 80 GLN CA 1 80 GLN C 1 81 GLN N -52.34 -29.98 -31.60 -25.67 -27.62 4.31 2 0 "[ . 1 . 2]"
95 . 1 80 GLN C 1 81 GLN N 1 81 GLN CA 1 81 GLN C -76.70 -52.78 -66.96 -69.89 -72.36 . . 0 "[ . 1 . 2]"
96 . 1 81 GLN N 1 81 GLN CA 1 81 GLN C 1 82 ALA N -58.90 -21.74 -46.30 -56.73 -37.72 . . 0 "[ . 1 . 2]"
97 . 1 81 GLN C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -82.62 -50.46 -64.11 -62.17 -63.20 . . 0 "[ . 1 . 2]"
98 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 LEU N -51.68 -31.92 -44.03 -49.98 -36.50 . . 0 "[ . 1 . 2]"
99 . 1 82 ALA C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -81.74 -54.82 -61.10 -67.00 -55.94 . . 0 "[ . 1 . 2]"
100 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 GLY N -48.62 -34.70 -47.91 -48.65 -48.78 2.79 3 0 "[ . 1 . 2]"
101 . 1 83 LEU C 1 84 GLY N 1 84 GLY CA 1 84 GLY C -73.27 -57.79 -62.26 -67.66 -58.16 . . 0 "[ . 1 . 2]"
102 . 1 84 GLY N 1 84 GLY CA 1 84 GLY C 1 85 MET N -47.53 -35.17 -44.63 -40.83 -43.69 1.24 7 0 "[ . 1 . 2]"
103 . 1 84 GLY C 1 85 MET N 1 85 MET CA 1 85 MET C -74.56 -52.60 -67.40 -74.49 -61.52 . . 0 "[ . 1 . 2]"
104 . 1 85 MET N 1 85 MET CA 1 85 MET C 1 86 PHE N -54.11 -33.43 -39.12 -42.63 -43.10 . . 0 "[ . 1 . 2]"
105 . 1 85 MET C 1 86 PHE N 1 86 PHE CA 1 86 PHE C -67.62 -50.90 -61.98 -66.50 -58.28 . . 0 "[ . 1 . 2]"
106 . 1 86 PHE N 1 86 PHE CA 1 86 PHE C 1 87 SER N -56.55 -29.31 -42.64 -41.57 -42.23 . . 0 "[ . 1 . 2]"
107 . 1 86 PHE C 1 87 SER N 1 87 SER CA 1 87 SER C -68.56 -52.20 -61.60 -66.05 -58.57 . . 0 "[ . 1 . 2]"
108 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 ALA N -55.16 -28.72 -42.59 -47.81 -32.47 . . 0 "[ . 1 . 2]"
109 . 1 87 SER C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -79.91 -48.95 -68.07 -66.45 -67.00 . . 0 "[ . 1 . 2]"
110 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 ALA N -54.46 -29.98 -41.15 -40.84 -42.19 . . 0 "[ . 1 . 2]"
111 . 1 88 ALA C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -76.48 -54.08 -62.67 -67.78 -58.45 . . 0 "[ . 1 . 2]"
112 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 LEU N -60.70 -24.30 -41.02 -43.43 -43.94 . . 0 "[ . 1 . 2]"
113 . 1 89 ALA C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -75.86 -55.66 -72.83 -77.37 -62.80 1.51 3 0 "[ . 1 . 2]"
114 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 ALA N -53.62 -28.94 -36.93 -53.26 -27.45 1.49 16 0 "[ . 1 . 2]"
115 . 1 90 LEU C 1 91 ALA N 1 91 ALA CA 1 91 ALA C -77.95 -55.19 -77.48 -81.11 -74.00 3.16 6 0 "[ . 1 . 2]"
116 . 1 91 ALA N 1 91 ALA CA 1 91 ALA C 1 92 SER N -66.00 8.88 -51.81 -68.43 -19.88 2.43 2 0 "[ . 1 . 2]"
117 . 1 91 ALA C 1 92 SER N 1 92 SER CA 1 92 SER C -116.62 -58.94 -85.33 -80.02 -81.50 . . 0 "[ . 1 . 2]"
118 . 1 92 SER N 1 92 SER CA 1 92 SER C 1 93 GLY N -52.41 30.07 -29.18 -33.82 -37.30 . . 0 "[ . 1 . 2]"
119 . 1 94 GLN C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -121.55 -64.79 -75.30 -95.58 -64.09 0.70 1 0 "[ . 1 . 2]"
120 . 1 95 LEU N 1 95 LEU CA 1 95 LEU C 1 96 GLY N -43.79 12.61 -31.58 -33.78 -40.99 4.81 8 0 "[ . 1 . 2]"
121 . 1 97 PRO C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -101.01 -50.69 -69.34 -61.54 -63.27 . . 0 "[ . 1 . 2]"
122 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 MET N -49.36 -7.60 -20.61 -30.89 -30.98 1.95 5 0 "[ . 1 . 2]"
123 . 1 98 LEU C 1 99 MET N 1 99 MET CA 1 99 MET C -101.85 -51.93 -77.27 -68.98 -69.25 . . 0 "[ . 1 . 2]"
124 . 1 99 MET N 1 99 MET CA 1 99 MET C 1 100 CYS N -61.55 11.61 -26.91 -54.41 -14.88 . . 0 "[ . 1 . 2]"
125 . 1 99 MET C 1 100 CYS N 1 100 CYS CA 1 100 CYS C -91.29 -52.13 -77.35 -78.23 -78.89 . . 0 "[ . 1 . 2]"
126 . 1 100 CYS N 1 100 CYS CA 1 100 CYS C 1 101 GLN N -59.74 4.66 -16.92 -11.21 -13.79 . . 0 "[ . 1 . 2]"
127 . 1 100 CYS C 1 101 GLN N 1 101 GLN CA 1 101 GLN C -96.12 -51.96 -70.39 -68.12 -68.67 . . 0 "[ . 1 . 2]"
128 . 1 101 GLN N 1 101 GLN CA 1 101 GLN C 1 102 PHE N -56.59 7.09 -29.17 -49.97 -13.25 . . 0 "[ . 1 . 2]"
129 . 1 104 LEU C 1 105 PRO N 1 105 PRO CA 1 105 PRO C -94.60 -43.04 -54.46 -49.68 -51.43 . . 0 "[ . 1 . 2]"
130 . 1 105 PRO N 1 105 PRO CA 1 105 PRO C 1 106 ALA N 114.06 162.38 154.04 150.55 145.25 4.83 7 0 "[ . 1 . 2]"
131 . 1 105 PRO C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -66.34 -48.94 -59.28 -60.91 -62.90 . . 0 "[ . 1 . 2]"
132 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 GLU N -59.90 -20.54 -32.71 -32.21 -32.66 0.60 8 0 "[ . 1 . 2]"
133 . 1 106 ALA C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -67.50 -49.42 -63.18 -71.51 -57.50 4.01 4 0 "[ . 1 . 2]"
134 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 ALA N -56.80 -27.92 -33.09 -38.83 -25.64 2.28 20 0 "[ . 1 . 2]"
135 . 1 107 GLU C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -78.03 -53.59 -75.45 -80.96 -69.26 2.93 20 0 "[ . 1 . 2]"
136 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 VAL N -52.55 -27.47 -41.11 -43.14 -44.42 . . 0 "[ . 1 . 2]"
137 . 1 108 ALA C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -71.27 -51.87 -69.24 -71.84 -66.14 0.57 7 0 "[ . 1 . 2]"
138 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 GLU N -51.63 -37.35 -37.70 -45.82 -33.76 3.59 19 0 "[ . 1 . 2]"
139 . 1 109 VAL C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -71.29 -49.97 -65.15 -71.84 -54.41 0.55 15 0 "[ . 1 . 2]"
140 . 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 ALA N -53.52 -29.32 -41.07 -40.48 -42.69 1.28 8 0 "[ . 1 . 2]"
141 . 1 110 GLU C 1 111 ALA N 1 111 ALA CA 1 111 ALA C -80.25 -47.65 -64.81 -70.17 -74.87 . . 0 "[ . 1 . 2]"
142 . 1 111 ALA N 1 111 ALA CA 1 111 ALA C 1 112 ALA N -54.73 -29.05 -46.24 -53.34 -38.66 . . 0 "[ . 1 . 2]"
143 . 1 111 ALA C 1 112 ALA N 1 112 ALA CA 1 112 ALA C -72.85 -57.29 -71.28 -74.97 -67.87 2.12 8 0 "[ . 1 . 2]"
144 . 1 112 ALA N 1 112 ALA CA 1 112 ALA C 1 113 ASN N -53.01 -23.21 -25.01 -34.06 -19.45 3.76 4 0 "[ . 1 . 2]"
145 . 1 112 ALA C 1 113 ASN N 1 113 ASN CA 1 113 ASN C -74.20 -52.06 -75.01 -78.03 -65.27 3.83 2 0 "[ . 1 . 2]"
146 . 1 113 ASN N 1 113 ASN CA 1 113 ASN C 1 114 LYS N -49.94 -9.02 -42.20 -39.01 -40.36 0.91 12 0 "[ . 1 . 2]"
147 . 1 113 ASN C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -113.01 -68.25 -80.93 -76.12 -76.79 . . 0 "[ . 1 . 2]"
148 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 GLY N -31.20 28.80 -26.77 -31.43 -32.14 1.81 17 0 "[ . 1 . 2]"
149 . 1 114 LYS C 1 115 GLY N 1 115 GLY CA 1 115 GLY C 59.00 102.04 88.00 68.41 103.23 1.19 20 0 "[ . 1 . 2]"
150 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 ASP N -12.73 49.31 34.87 32.60 31.49 . . 0 "[ . 1 . 2]"
151 . 1 115 GLY C 1 116 ASP N 1 116 ASP CA 1 116 ASP C -146.32 -53.72 -112.10 -136.16 -95.13 . . 0 "[ . 1 . 2]"
152 . 1 116 ASP N 1 116 ASP CA 1 116 ASP C 1 117 VAL N 70.82 -166.62 108.53 119.96 117.12 . . 0 "[ . 1 . 2]"
153 . 1 116 ASP C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -76.11 -37.35 -73.05 -74.82 -76.10 3.29 10 0 "[ . 1 . 2]"
154 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 GLU N -75.51 -11.11 -27.27 -34.77 -14.27 . . 0 "[ . 1 . 2]"
155 . 1 117 VAL C 1 118 GLU N 1 118 GLU CA 1 118 GLU C -70.12 -53.20 -67.40 -66.25 -66.88 2.30 18 0 "[ . 1 . 2]"
156 . 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 ALA N -53.70 -33.98 -42.64 -40.93 -41.83 2.49 19 0 "[ . 1 . 2]"
157 . 1 118 GLU C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -78.78 -50.74 -62.90 -60.16 -61.63 . . 0 "[ . 1 . 2]"
158 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 PHE N -48.18 -28.14 -35.73 -42.52 -30.57 . . 0 "[ . 1 . 2]"
159 . 1 119 ALA C 1 120 PHE N 1 120 PHE CA 1 120 PHE C -71.12 -55.40 -65.37 -64.15 -65.98 . . 0 "[ . 1 . 2]"
160 . 1 120 PHE N 1 120 PHE CA 1 120 PHE C 1 121 ALA N -54.56 -37.08 -44.23 -50.92 -39.00 . . 0 "[ . 1 . 2]"
161 . 1 120 PHE C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -67.64 -51.60 -66.29 -68.80 -59.42 1.16 6 0 "[ . 1 . 2]"
162 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 LYS N -55.72 -32.32 -47.55 -46.88 -47.58 . . 0 "[ . 1 . 2]"
163 . 1 121 ALA C 1 122 LYS N 1 122 LYS CA 1 122 LYS C -68.74 -47.78 -60.04 -64.30 -56.06 . . 0 "[ . 1 . 2]"
164 . 1 122 LYS N 1 122 LYS CA 1 122 LYS C 1 123 ALA N -58.87 -35.15 -39.18 -41.93 -44.73 2.44 11 0 "[ . 1 . 2]"
165 . 1 122 LYS C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -72.03 -51.75 -59.80 -59.61 -60.67 . . 0 "[ . 1 . 2]"
166 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 MET N -58.81 -37.73 -45.65 -43.48 -45.50 . . 0 "[ . 1 . 2]"
167 . 1 123 ALA C 1 124 MET N 1 124 MET CA 1 124 MET C -94.40 -53.84 -68.59 -77.46 -60.55 . . 0 "[ . 1 . 2]"
168 . 1 124 MET N 1 124 MET CA 1 124 MET C 1 125 GLN N -57.95 22.21 -36.51 -36.82 -38.22 . . 0 "[ . 1 . 2]"
169 . 1 128 ALA C 1 129 LYS N 1 129 LYS CA 1 129 LYS C -141.91 -38.71 -116.25 -147.75 -73.41 5.84 18 1 "[ . 1 . + 2]"
170 . 1 129 LYS N 1 129 LYS CA 1 129 LYS C 1 130 PRO N 93.69 -171.99 126.84 114.45 106.65 2.27 16 0 "[ . 1 . 2]"
171 . 1 144 GLU C 1 145 GLU N 1 145 GLU CA 1 145 GLU C -84.90 -47.78 -75.85 -90.31 -59.89 5.41 12 1 "[ . 1 + . 2]"
172 . 1 145 GLU N 1 145 GLU CA 1 145 GLU C 1 146 ASP N -56.37 -20.53 -26.01 -35.70 -41.15 8.48 17 3 "[ . -1 . +* 2]"
173 . 1 145 GLU C 1 146 ASP N 1 146 ASP CA 1 146 ASP C -92.69 -44.97 -69.11 -90.03 -47.46 . . 0 "[ . 1 . 2]"
174 . 1 146 ASP N 1 146 ASP CA 1 146 ASP C 1 147 MET N -44.53 -25.21 -36.24 -49.60 -18.23 6.98 5 2 "[ + 1 - 2]"
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