NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653790 |
7d2o   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_7d2o
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 183
_TA_constraint_stats_list.Viol_count 1306
_TA_constraint_stats_list.Viol_total 25939.54
_TA_constraint_stats_list.Viol_max 9.63
_TA_constraint_stats_list.Viol_rms 0.83
_TA_constraint_stats_list.Viol_average_all_restraints 0.39
_TA_constraint_stats_list.Viol_average_violations_only 1.05
_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 PHI 1 10 ASP C 1 11 PHE N 1 11 PHE CA 1 11 PHE C -157.49 -113.44 -156.16 -154.00 -157.37 0.88 10 0 "[ . 1 . ]"
2 PSI 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 ASN N 133.25 168.71 168.70 169.10 169.02 0.69 4 0 "[ . 1 . ]"
3 PHI 1 11 PHE C 1 12 ASN N 1 12 ASN CA 1 12 ASN C -121.46 -61.84 -109.35 -111.93 -113.08 0.18 5 0 "[ . 1 . ]"
4 PSI 1 12 ASN N 1 12 ASN CA 1 12 ASN C 1 13 ILE N 111.94 140.61 121.55 127.06 121.17 0.72 19 0 "[ . 1 . ]"
5 PHI 1 12 ASN C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -101.77 -50.24 -96.77 -102.30 -102.90 2.96 6 0 "[ . 1 . ]"
6 PSI 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 VAL N -39.87 7.98 -30.71 -34.78 -28.41 . . 0 "[ . 1 . ]"
7 PHI 1 13 ILE C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -69.77 -49.77 -61.42 -71.48 -47.79 1.98 6 0 "[ . 1 . ]"
8 PSI 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 ALA N -49.42 -29.42 -42.21 -49.99 -52.08 2.66 1 0 "[ . 1 . ]"
9 PHI 1 14 VAL C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -74.67 -54.67 -70.87 -68.77 -72.17 2.39 6 0 "[ . 1 . ]"
10 PSI 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 VAL N -51.67 -31.67 -45.67 -37.63 -40.17 1.11 9 0 "[ . 1 . ]"
11 PHI 1 15 ALA C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -72.01 -52.01 -58.54 -71.07 -50.51 1.50 1 0 "[ . 1 . ]"
12 PSI 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 ALA N -54.49 -34.49 -48.75 -55.13 -55.19 1.23 11 0 "[ . 1 . ]"
13 PHI 1 16 VAL C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -70.34 -50.34 -61.16 -51.34 -55.77 0.48 13 0 "[ . 1 . ]"
14 PSI 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 SER N -52.10 -32.10 -38.86 -48.82 -34.27 . . 0 "[ . 1 . ]"
15 PHI 1 17 ALA C 1 18 SER N 1 18 SER CA 1 18 SER C -76.42 -56.42 -65.49 -76.98 -56.11 0.56 19 0 "[ . 1 . ]"
16 PSI 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 ASN N -46.61 -13.90 -36.98 -37.67 -40.07 0.12 1 0 "[ . 1 . ]"
17 PHI 1 18 SER C 1 19 ASN N 1 19 ASN CA 1 19 ASN C -79.56 -59.56 -65.31 -59.59 -63.74 0.55 13 0 "[ . 1 . ]"
18 PSI 1 19 ASN N 1 19 ASN CA 1 19 ASN C 1 20 PHE N -42.48 -12.73 -32.52 -28.21 -32.47 . . 0 "[ . 1 . ]"
19 PHI 1 19 ASN C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -109.81 -71.14 -72.15 -70.62 -70.90 1.69 4 0 "[ . 1 . ]"
20 PSI 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 ALA N -29.52 1.37 -29.94 -30.71 -28.71 1.19 8 0 "[ . 1 . ]"
21 PHI 1 21 ALA C 1 22 THR N 1 22 THR CA 1 22 THR C -119.06 -92.64 -99.09 -119.23 -91.96 0.68 1 0 "[ . 1 . ]"
22 PSI 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 THR N -28.78 8.52 -26.57 -29.72 9.75 1.23 8 0 "[ . 1 . ]"
23 PHI 1 24 ASP C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -73.02 -53.02 -59.60 -65.53 -70.27 2.79 1 0 "[ . 1 . ]"
24 PSI 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 ASP N -44.22 -20.13 -29.46 -44.02 -15.76 4.37 7 0 "[ . 1 . ]"
25 PHI 1 25 LEU C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -74.93 -54.93 -54.21 -58.97 -51.06 3.87 3 0 "[ . 1 . ]"
26 PSI 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 ALA N -52.12 -27.02 -35.73 -35.05 -35.36 0.57 10 0 "[ . 1 . ]"
27 PHI 1 26 ASP C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -74.11 -54.11 -65.94 -54.04 -54.14 0.43 14 0 "[ . 1 . ]"
28 PSI 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ASP N -49.14 -23.22 -39.15 -49.50 -32.58 0.36 17 0 "[ . 1 . ]"
29 PHI 1 27 ALA C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -75.66 -55.66 -71.61 -76.00 -76.04 0.49 17 0 "[ . 1 . ]"
30 PSI 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 ARG N -47.62 -24.26 -31.15 -35.78 -23.46 0.80 1 0 "[ . 1 . ]"
31 PHI 1 28 ASP C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -94.98 -68.64 -68.59 -80.35 -66.23 2.41 1 0 "[ . 1 . ]"
32 PSI 1 29 ARG N 1 29 ARG CA 1 29 ARG C 1 30 GLY N -21.09 -1.09 -22.76 -25.75 -19.21 4.66 4 0 "[ . 1 . ]"
33 PHI 1 36 LYS C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -135.39 -86.09 -115.42 -100.33 -116.48 0.97 6 0 "[ . 1 . ]"
34 PSI 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 PRO N 109.73 129.73 133.72 130.66 139.36 9.63 3 4 "[ + .** 1 - . ]"
35 PSI 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 LEU N 133.38 153.38 152.65 153.85 153.67 2.33 13 0 "[ . 1 . ]"
36 PHI 1 38 PRO C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -60.70 -40.62 -53.06 -55.72 -57.33 . . 0 "[ . 1 . ]"
37 PSI 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 GLU N -55.61 -35.61 -34.05 -41.60 -30.30 5.31 1 1 "[+ . 1 . ]"
38 PHI 1 39 LEU C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -70.45 -50.45 -49.77 -57.43 -46.22 4.23 14 0 "[ . 1 . ]"
39 PSI 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 VAL N -49.23 -29.23 -42.90 -37.92 -40.53 . . 0 "[ . 1 . ]"
40 PHI 1 40 GLU C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -79.11 -59.11 -81.07 -79.56 -79.99 6.41 18 2 "[ - . 1 . + ]"
41 PSI 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 LEU N -52.64 -32.64 -37.12 -53.27 -29.29 3.35 4 0 "[ . 1 . ]"
42 PHI 1 41 VAL C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -71.68 -51.68 -58.75 -66.80 -51.36 0.32 10 0 "[ . 1 . ]"
43 PSI 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 LYS N -53.94 -33.94 -50.36 -44.88 -49.78 2.11 8 0 "[ . 1 . ]"
44 PHI 1 42 LEU C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -74.08 -54.08 -59.11 -73.93 -52.63 1.45 3 0 "[ . 1 . ]"
45 PSI 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 GLU N -50.33 -30.33 -32.94 -33.89 -34.75 0.06 5 0 "[ . 1 . ]"
46 PHI 1 43 LYS C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -76.42 -56.42 -69.37 -75.20 -56.01 0.41 10 0 "[ . 1 . ]"
47 PSI 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 MET N -53.27 -33.27 -46.86 -48.10 -51.91 0.82 3 0 "[ . 1 . ]"
48 PHI 1 44 GLU C 1 45 MET N 1 45 MET CA 1 45 MET C -75.95 -55.95 -66.21 -77.23 -54.80 1.28 8 0 "[ . 1 . ]"
49 PSI 1 45 MET N 1 45 MET CA 1 45 MET C 1 46 GLU N -48.85 -28.85 -46.80 -50.55 -37.57 1.70 8 0 "[ . 1 . ]"
50 PHI 1 45 MET C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -72.46 -52.46 -63.79 -61.80 -63.95 0.15 16 0 "[ . 1 . ]"
51 PSI 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ALA N -52.97 -32.97 -35.22 -51.57 -31.67 1.30 15 0 "[ . 1 . ]"
52 PHI 1 46 GLU C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -74.35 -54.35 -55.97 -66.93 -53.26 1.09 15 0 "[ . 1 . ]"
53 PSI 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 ASN N -52.38 -32.38 -36.72 -45.59 -32.23 0.15 6 0 "[ . 1 . ]"
54 PHI 1 47 ALA C 1 48 ASN N 1 48 ASN CA 1 48 ASN C -78.80 -58.80 -68.67 -79.67 -58.58 0.87 17 0 "[ . 1 . ]"
55 PSI 1 48 ASN N 1 48 ASN CA 1 48 ASN C 1 49 ALA N -47.25 -27.25 -39.73 -44.98 -45.82 1.44 16 0 "[ . 1 . ]"
56 PHI 1 48 ASN C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -75.67 -55.67 -67.23 -73.56 -56.03 . . 0 "[ . 1 . ]"
57 PSI 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ARG N -53.00 -33.00 -47.29 -50.07 -50.92 0.12 11 0 "[ . 1 . ]"
58 PHI 1 49 ALA C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -76.02 -56.02 -59.93 -71.46 -55.72 0.30 7 0 "[ . 1 . ]"
59 PSI 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 LYS N -52.41 -32.41 -36.44 -32.15 -33.92 1.38 15 0 "[ . 1 . ]"
60 PHI 1 50 ARG C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -75.95 -55.95 -62.89 -71.45 -55.83 0.12 5 0 "[ . 1 . ]"
61 PSI 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 ALA N -36.19 -16.19 -33.40 -22.71 -29.40 0.39 6 0 "[ . 1 . ]"
62 PHI 1 51 LYS C 1 52 ALA N 1 52 ALA CA 1 52 ALA C -93.17 -73.17 -75.96 -71.57 -72.42 1.60 2 0 "[ . 1 . ]"
63 PSI 1 52 ALA N 1 52 ALA CA 1 52 ALA C 1 53 GLY N -15.28 5.98 -16.63 -17.00 -15.26 1.72 2 0 "[ . 1 . ]"
64 PHI 1 53 GLY C 1 54 CYS N 1 54 CYS CA 1 54 CYS C -148.23 -110.61 -118.25 -148.61 -109.64 0.97 13 0 "[ . 1 . ]"
65 PSI 1 54 CYS N 1 54 CYS CA 1 54 CYS C 1 55 THR N 142.63 162.63 150.71 142.39 162.94 0.31 6 0 "[ . 1 . ]"
66 PHI 1 54 CYS C 1 55 THR N 1 55 THR CA 1 55 THR C -123.82 -61.91 -105.98 -99.63 -103.77 0.06 19 0 "[ . 1 . ]"
67 PSI 1 55 THR N 1 55 THR CA 1 55 THR C 1 56 ARG N 140.12 176.44 164.28 140.02 176.84 0.40 19 0 "[ . 1 . ]"
68 PHI 1 55 THR C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -69.05 -49.05 -65.87 -66.61 -68.85 0.27 1 0 "[ . 1 . ]"
69 PSI 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 GLY N -50.29 -30.29 -48.79 -50.28 -50.54 0.94 14 0 "[ . 1 . ]"
70 PHI 1 56 ARG C 1 57 GLY N 1 57 GLY CA 1 57 GLY C -90.00 -53.80 -55.92 -52.95 -53.20 0.87 2 0 "[ . 1 . ]"
71 PSI 1 57 GLY N 1 57 GLY CA 1 57 GLY C 1 58 CYS N -41.52 -10.87 -33.64 -41.77 -29.56 0.25 11 0 "[ . 1 . ]"
72 PHI 1 59 LEU C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -74.72 -54.72 -60.48 -68.69 -54.43 0.29 19 0 "[ . 1 . ]"
73 PSI 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 CYS N -49.96 -29.96 -36.53 -33.15 -33.91 . . 0 "[ . 1 . ]"
74 PHI 1 60 ILE C 1 61 CYS N 1 61 CYS CA 1 61 CYS C -72.09 -52.09 -65.44 -69.83 -54.38 . . 0 "[ . 1 . ]"
75 PSI 1 61 CYS N 1 61 CYS CA 1 61 CYS C 1 62 LEU N -54.29 -34.29 -47.43 -55.45 -37.72 1.16 14 0 "[ . 1 . ]"
76 PHI 1 61 CYS C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -73.31 -53.31 -70.07 -68.23 -71.39 0.82 17 0 "[ . 1 . ]"
77 PSI 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 SER N -47.45 -24.91 -32.00 -35.58 -25.68 . . 0 "[ . 1 . ]"
78 PHI 1 62 LEU C 1 63 SER N 1 63 SER CA 1 63 SER C -80.38 -60.26 -78.26 -75.87 -77.06 0.80 12 0 "[ . 1 . ]"
79 PSI 1 63 SER N 1 63 SER CA 1 63 SER C 1 64 HIS N -33.35 -10.54 -24.58 -27.00 -27.76 . . 0 "[ . 1 . ]"
80 PHI 1 63 SER C 1 64 HIS N 1 64 HIS CA 1 64 HIS C -113.27 -93.27 -92.56 -92.67 -92.73 1.00 17 0 "[ . 1 . ]"
81 PSI 1 64 HIS N 1 64 HIS CA 1 64 HIS C 1 65 ILE N -6.24 16.96 18.69 18.05 19.68 2.72 12 0 "[ . 1 . ]"
82 PHI 1 64 HIS C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -88.84 -58.35 -70.34 -89.14 -57.33 1.02 12 0 "[ . 1 . ]"
83 PSI 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 LYS N 120.87 140.87 139.48 125.48 143.32 2.45 11 0 "[ . 1 . ]"
84 PHI 1 65 ILE C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -118.66 -87.63 -87.03 -97.04 -84.50 3.13 1 0 "[ . 1 . ]"
85 PSI 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 CYS N 131.13 151.13 146.21 129.85 153.21 2.08 19 0 "[ . 1 . ]"
86 PHI 1 66 LYS C 1 67 CYS N 1 67 CYS CA 1 67 CYS C -134.44 -112.02 -121.61 -111.66 -116.48 1.40 19 0 "[ . 1 . ]"
87 PSI 1 67 CYS N 1 67 CYS CA 1 67 CYS C 1 68 THR N 123.69 158.64 144.08 139.01 137.18 2.63 6 0 "[ . 1 . ]"
88 PSI 1 69 PRO N 1 69 PRO CA 1 69 PRO C 1 70 LYS N -48.13 -28.13 -28.69 -31.99 -33.58 3.39 7 0 "[ . 1 . ]"
89 PHI 1 69 PRO C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -76.51 -56.51 -76.55 -80.99 -66.60 4.48 10 0 "[ . 1 . ]"
90 PSI 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 MET N -44.05 -24.05 -32.88 -23.77 -26.37 3.19 6 0 "[ . 1 . ]"
91 PHI 1 70 LYS C 1 71 MET N 1 71 MET CA 1 71 MET C -71.03 -51.03 -69.12 -76.22 -63.54 5.19 6 1 "[ .+ 1 . ]"
92 PSI 1 71 MET N 1 71 MET CA 1 71 MET C 1 72 LYS N -55.54 -35.54 -44.16 -58.09 -31.04 4.50 5 0 "[ . 1 . ]"
93 PHI 1 71 MET C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -73.37 -53.37 -57.90 -51.51 -52.42 2.61 2 0 "[ . 1 . ]"
94 PSI 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 LYS N -52.99 -31.18 -31.37 -30.58 -33.38 1.64 11 0 "[ . 1 . ]"
95 PHI 1 72 LYS C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -82.81 -57.55 -63.02 -83.72 -55.74 1.81 11 0 "[ . 1 . ]"
96 PSI 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 PHE N -53.42 -24.36 -44.73 -55.62 -34.00 2.20 5 0 "[ . 1 . ]"
97 PHI 1 73 LYS C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -92.43 -63.73 -83.85 -93.41 -64.16 0.98 16 0 "[ . 1 . ]"
98 PSI 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 ILE N -52.66 -6.01 -49.40 -55.85 -39.97 3.19 5 0 "[ . 1 . ]"
99 PHI 1 74 PHE C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -138.39 -96.41 -113.36 -113.17 -117.00 . . 0 "[ . 1 . ]"
100 PSI 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 PRO N 64.37 121.89 75.10 73.29 67.92 . . 0 "[ . 1 . ]"
101 PSI 1 76 PRO N 1 76 PRO CA 1 76 PRO C 1 77 GLY N 130.81 156.26 146.37 144.70 133.82 2.53 14 0 "[ . 1 . ]"
102 PHI 1 76 PRO C 1 77 GLY N 1 77 GLY CA 1 77 GLY C 57.09 89.15 88.69 84.39 90.30 1.15 11 0 "[ . 1 . ]"
103 PSI 1 77 GLY N 1 77 GLY CA 1 77 GLY C 1 78 ARG N -10.37 42.53 -5.11 -12.96 26.73 2.59 2 0 "[ . 1 . ]"
104 PHI 1 78 ARG C 1 79 CYS N 1 79 CYS CA 1 79 CYS C -146.19 -115.35 -129.75 -147.95 -114.27 1.76 18 0 "[ . 1 . ]"
105 PSI 1 79 CYS N 1 79 CYS CA 1 79 CYS C 1 80 HIS N 146.23 168.92 163.69 173.20 171.94 4.28 2 0 "[ . 1 . ]"
106 PHI 1 79 CYS C 1 80 HIS N 1 80 HIS CA 1 80 HIS C 42.83 62.83 61.25 66.16 65.31 3.33 2 0 "[ . 1 . ]"
107 PSI 1 80 HIS N 1 80 HIS CA 1 80 HIS C 1 81 THR N 27.45 57.89 39.32 32.21 29.57 0.69 16 0 "[ . 1 . ]"
108 PHI 1 98 VAL C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -140.63 -114.56 -131.58 -136.50 -138.52 2.31 3 0 "[ . 1 . ]"
109 PSI 1 99 ASP N 1 99 ASP CA 1 99 ASP C 1 100 ILE N 139.38 159.50 140.91 134.97 153.60 4.41 6 0 "[ . 1 . ]"
110 PHI 1 99 ASP C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -104.56 -83.96 -103.10 -108.95 -92.98 4.39 6 0 "[ . 1 . ]"
111 PSI 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 PRO N 103.62 146.98 128.00 121.87 136.11 . . 0 "[ . 1 . ]"
112 PSI 1 101 PRO N 1 101 PRO CA 1 101 PRO C 1 102 ALA N -40.55 -19.46 -29.77 -41.13 -21.56 0.58 6 0 "[ . 1 . ]"
113 PHI 1 104 PRO C 1 105 ARG N 1 105 ARG CA 1 105 ARG C -82.25 -58.61 -70.53 -85.92 -57.64 3.67 12 0 "[ . 1 . ]"
114 PSI 1 105 ARG N 1 105 ARG CA 1 105 ARG C 1 106 PHE N -48.14 -16.32 -19.84 -25.31 -26.61 6.17 13 1 "[ . 1 + . ]"
115 PHI 1 105 ARG C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -72.70 -52.70 -51.27 -51.30 -51.35 4.28 7 0 "[ . 1 . ]"
116 PSI 1 106 PHE N 1 106 PHE CA 1 106 PHE C 1 107 LYS N -51.56 -31.56 -38.35 -52.20 -28.41 3.15 5 0 "[ . 1 . ]"
117 PHI 1 106 PHE C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -75.99 -55.89 -64.18 -64.86 -65.72 . . 0 "[ . 1 . ]"
118 PSI 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 ASP N -42.72 -11.93 -28.67 -28.84 -30.48 0.44 3 0 "[ . 1 . ]"
119 PHI 1 107 LYS C 1 108 ASP N 1 108 ASP CA 1 108 ASP C -112.59 -77.53 -108.04 -107.33 -108.62 0.77 17 0 "[ . 1 . ]"
120 PSI 1 108 ASP N 1 108 ASP CA 1 108 ASP C 1 109 LEU N -26.39 17.82 7.84 -22.20 21.03 3.21 11 0 "[ . 1 . ]"
121 PHI 1 108 ASP C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -98.97 -67.89 -90.01 -101.97 -66.26 3.00 9 0 "[ . 1 . ]"
122 PSI 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 GLU N 138.91 168.27 157.94 148.28 168.49 0.22 16 0 "[ . 1 . ]"
123 PSI 1 111 PRO N 1 111 PRO CA 1 111 PRO C 1 112 MET N -45.95 -25.95 -42.63 -40.98 -43.58 1.70 1 0 "[ . 1 . ]"
124 PHI 1 111 PRO C 1 112 MET N 1 112 MET CA 1 112 MET C -73.65 -53.65 -64.19 -69.71 -60.32 . . 0 "[ . 1 . ]"
125 PSI 1 112 MET N 1 112 MET CA 1 112 MET C 1 113 GLU N -45.19 -25.19 -45.04 -50.39 -37.38 5.20 19 1 "[ . 1 . +]"
126 PHI 1 112 MET C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -78.03 -58.03 -65.97 -65.83 -66.16 . . 0 "[ . 1 . ]"
127 PSI 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 GLN N -51.93 -31.93 -34.81 -40.39 -30.56 1.37 5 0 "[ . 1 . ]"
128 PHI 1 113 GLU C 1 114 GLN N 1 114 GLN CA 1 114 GLN C -74.62 -54.62 -57.62 -54.29 -55.61 0.90 13 0 "[ . 1 . ]"
129 PSI 1 114 GLN N 1 114 GLN CA 1 114 GLN C 1 115 PHE N -50.33 -30.33 -50.75 -47.46 -49.62 1.62 8 0 "[ . 1 . ]"
130 PHI 1 114 GLN C 1 115 PHE N 1 115 PHE CA 1 115 PHE C -75.16 -55.16 -58.79 -62.81 -53.67 1.49 4 0 "[ . 1 . ]"
131 PSI 1 115 PHE N 1 115 PHE CA 1 115 PHE C 1 116 ILE N -53.64 -33.64 -48.56 -53.46 -37.75 . . 0 "[ . 1 . ]"
132 PHI 1 115 PHE C 1 116 ILE N 1 116 ILE CA 1 116 ILE C -74.10 -54.10 -64.02 -61.17 -63.36 . . 0 "[ . 1 . ]"
133 PSI 1 116 ILE N 1 116 ILE CA 1 116 ILE C 1 117 ALA N -52.52 -32.52 -35.48 -31.56 -31.87 1.72 15 0 "[ . 1 . ]"
134 PHI 1 116 ILE C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -66.86 -46.86 -56.44 -67.67 -51.53 0.81 15 0 "[ . 1 . ]"
135 PSI 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 GLN N -50.83 -30.83 -52.01 -51.92 -52.62 4.41 11 0 "[ . 1 . ]"
136 PHI 1 117 ALA C 1 118 GLN N 1 118 GLN CA 1 118 GLN C -75.08 -55.08 -62.19 -64.75 -66.06 3.70 8 0 "[ . 1 . ]"
137 PSI 1 118 GLN N 1 118 GLN CA 1 118 GLN C 1 119 VAL N -51.77 -31.77 -48.52 -54.16 -42.96 2.39 2 0 "[ . 1 . ]"
138 PHI 1 118 GLN C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -72.19 -52.19 -54.39 -61.31 -51.54 0.65 11 0 "[ . 1 . ]"
139 PSI 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 ASP N -56.26 -36.26 -36.62 -37.59 -39.56 2.63 8 0 "[ . 1 . ]"
140 PHI 1 119 VAL C 1 120 ASP N 1 120 ASP CA 1 120 ASP C -73.14 -53.14 -70.03 -71.30 -72.40 2.00 15 0 "[ . 1 . ]"
141 PSI 1 120 ASP N 1 120 ASP CA 1 120 ASP C 1 121 LEU N -42.26 -22.26 -39.21 -33.47 -34.63 4.54 8 0 "[ . 1 . ]"
142 PHI 1 123 VAL C 1 124 ASP N 1 124 ASP CA 1 124 ASP C -113.18 -84.31 -102.72 -114.53 -87.25 1.35 11 0 "[ . 1 . ]"
143 PSI 1 124 ASP N 1 124 ASP CA 1 124 ASP C 1 125 CYS N -27.68 6.79 2.48 8.03 7.76 1.50 16 0 "[ . 1 . ]"
144 PHI 1 124 ASP C 1 125 CYS N 1 125 CYS CA 1 125 CYS C -166.81 -97.97 -102.58 -118.58 -96.17 1.80 15 0 "[ . 1 . ]"
145 PSI 1 125 CYS N 1 125 CYS CA 1 125 CYS C 1 126 THR N 145.40 175.30 146.38 145.21 145.09 1.70 17 0 "[ . 1 . ]"
146 PHI 1 125 CYS C 1 126 THR N 1 126 THR CA 1 126 THR C -88.71 -68.71 -89.07 -82.79 -88.68 2.14 17 0 "[ . 1 . ]"
147 PSI 1 126 THR N 1 126 THR CA 1 126 THR C 1 127 THR N 154.62 174.62 155.53 154.93 154.59 2.48 16 0 "[ . 1 . ]"
148 PHI 1 126 THR C 1 127 THR N 1 127 THR CA 1 127 THR C -70.81 -50.81 -55.85 -62.44 -51.01 . . 0 "[ . 1 . ]"
149 PSI 1 127 THR N 1 127 THR CA 1 127 THR C 1 128 GLY N -47.53 -27.53 -45.62 -46.44 -46.92 0.43 14 0 "[ . 1 . ]"
150 PHI 1 127 THR C 1 128 GLY N 1 128 GLY CA 1 128 GLY C -94.86 -58.57 -61.69 -59.70 -61.04 0.47 16 0 "[ . 1 . ]"
151 PSI 1 128 GLY N 1 128 GLY CA 1 128 GLY C 1 129 CYS N -45.15 -1.86 -35.45 -45.54 -21.13 0.39 2 0 "[ . 1 . ]"
152 PHI 1 129 CYS C 1 130 LEU N 1 130 LEU CA 1 130 LEU C -70.87 -50.87 -60.09 -67.88 -52.86 . . 0 "[ . 1 . ]"
153 PSI 1 130 LEU N 1 130 LEU CA 1 130 LEU C 1 131 LYS N -46.40 -26.40 -47.10 -47.15 -47.26 3.12 12 0 "[ . 1 . ]"
154 PHI 1 130 LEU C 1 131 LYS N 1 131 LYS CA 1 131 LYS C -73.11 -53.11 -73.57 -75.28 -69.56 2.17 7 0 "[ . 1 . ]"
155 PSI 1 131 LYS N 1 131 LYS CA 1 131 LYS C 1 132 GLY N -48.97 -28.97 -32.82 -32.73 -33.37 4.36 12 0 "[ . 1 . ]"
156 PHI 1 131 LYS C 1 132 GLY N 1 132 GLY CA 1 132 GLY C -76.09 -56.09 -59.81 -62.35 -63.59 0.78 12 0 "[ . 1 . ]"
157 PSI 1 132 GLY N 1 132 GLY CA 1 132 GLY C 1 133 LEU N -46.49 -25.14 -36.89 -30.96 -32.73 . . 0 "[ . 1 . ]"
158 PHI 1 132 GLY C 1 133 LEU N 1 133 LEU CA 1 133 LEU C -83.89 -60.46 -60.91 -61.83 -67.71 1.74 2 0 "[ . 1 . ]"
159 PSI 1 133 LEU N 1 133 LEU CA 1 133 LEU C 1 134 ALA N -46.49 -20.52 -33.11 -34.24 -34.99 . . 0 "[ . 1 . ]"
160 PHI 1 133 LEU C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -89.58 -58.14 -85.85 -91.64 -71.31 2.06 2 0 "[ . 1 . ]"
161 PSI 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 ASN N -39.99 -5.96 -29.07 -34.81 -40.40 0.41 1 0 "[ . 1 . ]"
162 PHI 1 134 ALA C 1 135 ASN N 1 135 ASN CA 1 135 ASN C -116.48 -67.43 -90.48 -103.14 -69.26 . . 0 "[ . 1 . ]"
163 PSI 1 135 ASN N 1 135 ASN CA 1 135 ASN C 1 136 VAL N -36.32 12.82 10.17 -36.28 16.79 3.97 18 0 "[ . 1 . ]"
164 PHI 1 135 ASN C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -111.99 -62.05 -64.50 -112.96 -59.94 2.11 18 0 "[ . 1 . ]"
165 PSI 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 GLN N -50.24 13.41 -28.25 15.24 -18.35 1.83 2 0 "[ . 1 . ]"
166 PHI 1 138 CYS C 1 139 SER N 1 139 SER CA 1 139 SER C -109.33 -58.03 -85.63 -109.77 -61.31 0.44 12 0 "[ . 1 . ]"
167 PSI 1 139 SER N 1 139 SER CA 1 139 SER C 1 140 ASP N 148.80 168.84 168.84 169.40 169.19 2.10 7 0 "[ . 1 . ]"
168 PHI 1 139 SER C 1 140 ASP N 1 140 ASP CA 1 140 ASP C -71.28 -51.28 -54.54 -52.47 -53.45 1.04 7 0 "[ . 1 . ]"
169 PSI 1 140 ASP N 1 140 ASP CA 1 140 ASP C 1 141 LEU N -46.44 -26.44 -45.43 -43.57 -46.38 3.05 8 0 "[ . 1 . ]"
170 PHI 1 140 ASP C 1 141 LEU N 1 141 LEU CA 1 141 LEU C -74.07 -54.07 -71.40 -77.55 -61.63 3.48 8 0 "[ . 1 . ]"
171 PSI 1 141 LEU N 1 141 LEU CA 1 141 LEU C 1 142 LEU N -51.06 -31.06 -43.25 -36.04 -40.14 0.78 3 0 "[ . 1 . ]"
172 PHI 1 141 LEU C 1 142 LEU N 1 142 LEU CA 1 142 LEU C -76.97 -56.97 -59.98 -74.51 -55.99 0.98 14 0 "[ . 1 . ]"
173 PSI 1 142 LEU N 1 142 LEU CA 1 142 LEU C 1 143 LYS N -46.88 -26.88 -30.55 -30.91 -31.76 5.02 4 1 "[ +. 1 . ]"
174 PHI 1 142 LEU C 1 143 LYS N 1 143 LYS CA 1 143 LYS C -71.05 -51.05 -69.82 -71.87 -72.06 3.00 8 0 "[ . 1 . ]"
175 PSI 1 143 LYS N 1 143 LYS CA 1 143 LYS C 1 144 LYS N -52.69 -32.69 -32.74 -35.44 -38.80 3.20 6 0 "[ . 1 . ]"
176 PHI 1 143 LYS C 1 144 LYS N 1 144 LYS CA 1 144 LYS C -81.15 -61.15 -69.94 -82.12 -60.38 0.97 5 0 "[ . 1 . ]"
177 PSI 1 144 LYS N 1 144 LYS CA 1 144 LYS C 1 145 TRP N -43.02 -23.02 -42.40 -45.89 -35.15 2.87 7 0 "[ . 1 . ]"
178 PHI 1 144 LYS C 1 145 TRP N 1 145 TRP CA 1 145 TRP C -90.84 -70.84 -82.76 -79.84 -81.09 1.76 7 0 "[ . 1 . ]"
179 PSI 1 145 TRP N 1 145 TRP CA 1 145 TRP C 1 146 LEU N -39.43 -9.17 -39.17 -45.32 -31.23 5.89 4 1 "[ +. 1 . ]"
180 PHI 1 145 TRP C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -124.00 -73.63 -117.04 -115.81 -116.26 3.37 11 0 "[ . 1 . ]"
181 PSI 1 146 LEU N 1 146 LEU CA 1 146 LEU C 1 147 PRO N 70.72 117.34 73.85 71.68 70.56 2.53 7 0 "[ . 1 . ]"
182 PHI 1 149 ARG C 1 150 CYS N 1 150 CYS CA 1 150 CYS C -147.71 -108.21 -123.66 -109.23 -112.20 1.46 10 0 "[ . 1 . ]"
183 PSI 1 150 CYS N 1 150 CYS CA 1 150 CYS C 1 151 ALA N 151.03 171.73 157.75 171.80 162.99 1.87 13 0 "[ . 1 . ]"
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