Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569024 | 2lt3 RC | 15977 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lt3
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 193
_TA_constraint_stats_list.Viol_count 182
_TA_constraint_stats_list.Viol_total 4630.27
_TA_constraint_stats_list.Viol_max 6.29
_TA_constraint_stats_list.Viol_rms 0.41
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 1.27
_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 1 GLY C 1 2 SER N 1 2 SER CA 1 2 SER C 170.00 -20.00 -126.47 -159.12 -63.54 . . 0 "[ . 1 . 2]"
2 PHI 1 2 SER C 1 3 HIS N 1 3 HIS CA 1 3 HIS C -175.70 -32.50 -118.09 -104.78 -116.37 . . 0 "[ . 1 . 2]"
3 PHI 1 3 HIS C 1 4 MET N 1 4 MET CA 1 4 MET C 167.60 -34.30 -115.67 -154.18 -61.61 . . 0 "[ . 1 . 2]"
4 PHI 1 5 GLY C 1 6 SER N 1 6 SER CA 1 6 SER C 175.30 -31.90 -103.77 -158.05 -59.12 . . 0 "[ . 1 . 2]"
5 PHI 1 6 SER C 1 7 VAL N 1 7 VAL CA 1 7 VAL C 170.00 -20.00 -68.09 -95.38 -55.22 . . 0 "[ . 1 . 2]"
6 PHI 1 8 GLY C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -128.70 -46.10 -105.34 -128.51 -65.68 . . 0 "[ . 1 . 2]"
7 PHI 1 9 LEU C 1 10 ARG N 1 10 ARG CA 1 10 ARG C 177.10 -27.30 -116.05 -93.02 -107.59 . . 0 "[ . 1 . 2]"
8 PHI 1 10 ARG C 1 11 GLU N 1 11 GLU CA 1 11 GLU C 170.00 -20.00 -153.42 -172.02 -137.63 . . 0 "[ . 1 . 2]"
9 PHI 1 11 GLU C 1 12 ILE N 1 12 ILE CA 1 12 ILE C 170.00 -20.00 -59.65 -63.35 -43.63 . . 0 "[ . 1 . 2]"
10 PHI 1 12 ILE C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -168.80 -37.90 -144.91 -148.25 -139.58 . . 0 "[ . 1 . 2]"
11 PHI 1 13 ILE C 1 14 SER N 1 14 SER CA 1 14 SER C -135.70 -54.20 -115.67 -115.81 -116.76 . . 0 "[ . 1 . 2]"
12 PSI 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 GLU N 154.80 -174.70 178.21 171.35 -177.61 . . 0 "[ . 1 . 2]"
13 PHI 1 14 SER C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -68.40 -48.40 -50.83 -53.52 -48.95 . . 0 "[ . 1 . 2]"
14 PSI 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLU N -50.40 -24.30 -27.88 -23.52 -24.97 1.72 17 0 "[ . 1 . 2]"
15 PHI 1 15 GLU C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -78.10 -48.10 -54.83 -60.41 -50.43 . . 0 "[ . 1 . 2]"
16 PSI 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 ASP N -68.70 -28.70 -56.94 -54.50 -55.24 . . 0 "[ . 1 . 2]"
17 PHI 1 16 GLU C 1 17 ASP N 1 17 ASP CA 1 17 ASP C -83.50 -46.90 -60.21 -68.62 -55.30 . . 0 "[ . 1 . 2]"
18 PSI 1 17 ASP N 1 17 ASP CA 1 17 ASP C 1 18 VAL N -51.00 -23.10 -40.54 -43.42 -32.11 . . 0 "[ . 1 . 2]"
19 PHI 1 17 ASP C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -73.20 -43.10 -55.81 -60.64 -51.63 . . 0 "[ . 1 . 2]"
20 PSI 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 LYS N -56.10 -26.00 -38.56 -35.62 -42.02 . . 0 "[ . 1 . 2]"
21 PHI 1 18 VAL C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -84.40 -50.10 -70.08 -79.30 -53.87 . . 0 "[ . 1 . 2]"
22 PSI 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 GLN N -58.70 -15.70 -40.04 -50.40 -28.83 . . 0 "[ . 1 . 2]"
23 PHI 1 19 LYS C 1 20 GLN N 1 20 GLN CA 1 20 GLN C -90.00 -55.60 -67.79 -62.53 -64.37 . . 0 "[ . 1 . 2]"
24 PSI 1 20 GLN N 1 20 GLN CA 1 20 GLN C 1 21 VAL N -56.30 -25.10 -53.16 -55.96 -49.84 . . 0 "[ . 1 . 2]"
25 PHI 1 20 GLN C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -76.60 -46.60 -54.16 -56.53 -48.15 . . 0 "[ . 1 . 2]"
26 PSI 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 TYR N -54.60 -34.60 -42.38 -49.52 -52.76 . . 0 "[ . 1 . 2]"
27 PHI 1 21 VAL C 1 22 TYR N 1 22 TYR CA 1 22 TYR C -71.10 -51.10 -58.54 -62.73 -52.02 . . 0 "[ . 1 . 2]"
28 PSI 1 22 TYR N 1 22 TYR CA 1 22 TYR C 1 23 SER N -50.90 -20.90 -34.61 -40.26 -41.55 . . 0 "[ . 1 . 2]"
29 PHI 1 22 TYR C 1 23 SER N 1 23 SER CA 1 23 SER C -84.10 -54.10 -71.83 -81.38 -59.00 . . 0 "[ . 1 . 2]"
30 PSI 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 ILE N -50.70 -10.00 -27.71 -33.29 -22.58 . . 0 "[ . 1 . 2]"
31 PHI 1 23 SER C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -77.00 -52.60 -67.25 -66.68 -67.45 . . 0 "[ . 1 . 2]"
32 PSI 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 LEU N -61.80 -31.80 -51.36 -56.40 -45.29 . . 0 "[ . 1 . 2]"
33 PHI 1 24 ILE C 1 25 LEU N 1 25 LEU CA 1 25 LEU C -92.50 -46.60 -81.23 -83.21 -84.38 . . 0 "[ . 1 . 2]"
34 PSI 1 25 LEU N 1 25 LEU CA 1 25 LEU C 1 26 LYS N -54.40 -3.40 -12.10 -16.91 -8.24 . . 0 "[ . 1 . 2]"
35 PHI 1 25 LEU C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -122.80 -40.50 -56.27 -58.94 -53.60 . . 0 "[ . 1 . 2]"
36 PSI 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 GLU N -58.00 13.10 -27.00 -28.97 -29.96 . . 0 "[ . 1 . 2]"
37 PHI 1 26 LYS C 1 27 GLU N 1 27 GLU CA 1 27 GLU C -95.10 -51.40 -78.64 -76.53 -77.81 . . 0 "[ . 1 . 2]"
38 PSI 1 27 GLU N 1 27 GLU CA 1 27 GLU C 1 28 LYS N 121.60 162.80 134.38 121.58 147.72 0.02 17 0 "[ . 1 . 2]"
39 PHI 1 27 GLU C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -175.00 -35.90 -97.82 -103.16 -105.84 . . 0 "[ . 1 . 2]"
40 PHI 1 28 LYS C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -124.30 -62.10 -88.32 -105.59 -77.56 . . 0 "[ . 1 . 2]"
41 PSI 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 ILE N -50.20 29.00 7.92 -2.34 18.57 . . 0 "[ . 1 . 2]"
42 PHI 1 29 ASP C 1 30 ILE N 1 30 ILE CA 1 30 ILE C 170.00 -20.00 -82.27 -75.17 -78.44 . . 0 "[ . 1 . 2]"
43 PHI 1 30 ILE C 1 31 SER N 1 31 SER CA 1 31 SER C -166.30 -39.90 -46.28 -52.39 -39.06 0.84 8 0 "[ . 1 . 2]"
44 PSI 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 VAL N 104.20 168.20 108.20 104.09 127.18 0.11 16 0 "[ . 1 . 2]"
45 PHI 1 31 SER C 1 32 VAL N 1 32 VAL CA 1 32 VAL C 170.00 -20.00 -72.54 -71.29 -72.91 . . 0 "[ . 1 . 2]"
46 PHI 1 32 VAL C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -166.50 -27.10 -63.19 -61.09 -62.96 . . 0 "[ . 1 . 2]"
47 PSI 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 SER N 91.50 -174.30 145.04 135.40 151.84 . . 0 "[ . 1 . 2]"
48 PHI 1 33 ASP C 1 34 SER N 1 34 SER CA 1 34 SER C -81.10 -46.80 -62.22 -63.79 -66.07 . . 0 "[ . 1 . 2]"
49 PSI 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 THR N -57.40 -18.70 -37.21 -38.28 -41.44 . . 0 "[ . 1 . 2]"
50 PHI 1 34 SER C 1 35 THR N 1 35 THR CA 1 35 THR C -75.10 -42.00 -63.47 -73.54 -58.34 . . 0 "[ . 1 . 2]"
51 PSI 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 THR N -62.00 -14.70 -45.46 -61.61 -38.66 . . 0 "[ . 1 . 2]"
52 PHI 1 35 THR C 1 36 THR N 1 36 THR CA 1 36 THR C -95.90 -49.00 -76.18 -84.53 -62.54 . . 0 "[ . 1 . 2]"
53 PSI 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 TRP N -60.00 -14.00 -25.53 -26.54 -27.18 . . 0 "[ . 1 . 2]"
54 PHI 1 36 THR C 1 37 TRP N 1 37 TRP CA 1 37 TRP C -74.70 -44.70 -53.45 -61.82 -49.87 . . 0 "[ . 1 . 2]"
55 PSI 1 37 TRP N 1 37 TRP CA 1 37 TRP C 1 38 ASN N -56.70 -27.80 -46.11 -43.40 -43.67 . . 0 "[ . 1 . 2]"
56 PHI 1 37 TRP C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -77.10 -40.40 -52.90 -51.22 -51.69 . . 0 "[ . 1 . 2]"
57 PSI 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 ARG N -53.40 -27.90 -34.44 -43.06 -44.08 . . 0 "[ . 1 . 2]"
58 PHI 1 38 ASN C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -86.90 -47.60 -83.38 -86.95 -75.87 0.05 9 0 "[ . 1 . 2]"
59 PSI 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 ARG N -54.60 -25.60 -42.94 -52.82 -38.14 . . 0 "[ . 1 . 2]"
60 PHI 1 39 ARG C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -78.80 -54.20 -55.12 -61.78 -50.94 3.26 3 0 "[ . 1 . 2]"
61 PSI 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 TYR N -53.60 -16.70 -33.50 -37.24 -28.28 . . 0 "[ . 1 . 2]"
62 PHI 1 40 ARG C 1 41 TYR N 1 41 TYR CA 1 41 TYR C -74.00 -50.90 -52.72 -52.41 -52.83 0.32 11 0 "[ . 1 . 2]"
63 PSI 1 41 TYR N 1 41 TYR CA 1 41 TYR C 1 42 ARG N -56.40 -33.50 -41.61 -42.88 -43.36 . . 0 "[ . 1 . 2]"
64 PHI 1 41 TYR C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -70.20 -50.20 -65.07 -68.43 -60.68 . . 0 "[ . 1 . 2]"
65 PSI 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 GLU N -67.10 -23.50 -59.12 -58.23 -58.84 . . 0 "[ . 1 . 2]"
66 PHI 1 42 ARG C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -74.20 -42.00 -54.12 -56.98 -50.50 . . 0 "[ . 1 . 2]"
67 PSI 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 TYR N -55.70 -31.10 -49.45 -50.51 -50.74 . . 0 "[ . 1 . 2]"
68 PHI 1 43 GLU C 1 44 TYR N 1 44 TYR CA 1 44 TYR C -76.60 -52.40 -60.56 -66.93 -56.87 . . 0 "[ . 1 . 2]"
69 PSI 1 44 TYR N 1 44 TYR CA 1 44 TYR C 1 45 MET N -52.30 -32.30 -37.87 -36.09 -37.42 . . 0 "[ . 1 . 2]"
70 PHI 1 44 TYR C 1 45 MET N 1 45 MET CA 1 45 MET C -73.50 -49.10 -57.86 -59.66 -55.43 . . 0 "[ . 1 . 2]"
71 PSI 1 45 MET N 1 45 MET CA 1 45 MET C 1 46 GLU N -61.60 -16.70 -32.07 -32.73 -33.06 . . 0 "[ . 1 . 2]"
72 PHI 1 45 MET C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -89.90 -50.20 -79.14 -79.74 -80.14 . . 0 "[ . 1 . 2]"
73 PSI 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 LYS N -51.60 -21.60 -37.70 -36.75 -37.00 . . 0 "[ . 1 . 2]"
74 PHI 1 46 GLU C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -77.80 -57.00 -56.26 -60.49 -53.87 3.13 17 0 "[ . 1 . 2]"
75 PSI 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 ILE N -58.20 -6.30 -18.83 -23.65 -13.66 . . 0 "[ . 1 . 2]"
76 PHI 1 47 LYS C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -88.90 -55.40 -71.43 -69.10 -69.86 . . 0 "[ . 1 . 2]"
77 PSI 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 LYS N -52.60 -11.60 -22.14 -33.85 -16.74 . . 0 "[ . 1 . 2]"
78 PHI 1 48 ILE C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -123.00 -49.50 -120.81 -123.03 -115.64 0.03 5 0 "[ . 1 . 2]"
79 PSI 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 THR N -58.40 -5.40 -30.35 -34.99 -36.11 . . 0 "[ . 1 . 2]"
80 PHI 1 49 LYS C 1 50 THR N 1 50 THR CA 1 50 THR C -143.30 -79.90 -111.75 -111.87 -112.77 . . 0 "[ . 1 . 2]"
81 PSI 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 GLY N -49.70 19.20 -27.16 -33.62 -20.78 . . 0 "[ . 1 . 2]"
82 PHI 1 51 GLY C 1 52 SER N 1 52 SER CA 1 52 SER C -104.30 -65.20 -82.93 -92.70 -70.29 . . 0 "[ . 1 . 2]"
83 PHI 1 52 SER C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -71.70 -49.60 -48.78 -53.16 -46.57 3.03 11 0 "[ . 1 . 2]"
84 PSI 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 PHE N -52.80 -18.80 -50.09 -52.80 -44.33 0.00 4 0 "[ . 1 . 2]"
85 PHI 1 53 VAL C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -77.70 -48.30 -60.65 -63.64 -58.08 . . 0 "[ . 1 . 2]"
86 PSI 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 GLU N -57.40 -17.10 -31.09 -40.16 -24.76 . . 0 "[ . 1 . 2]"
87 PHI 1 54 PHE C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -96.80 -56.80 -81.51 -87.97 -72.49 . . 0 "[ . 1 . 2]"
88 PSI 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 ILE N -53.50 -22.90 -48.14 -50.98 -45.18 . . 0 "[ . 1 . 2]"
89 PHI 1 55 GLU C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -76.60 -44.10 -49.85 -53.44 -47.83 . . 0 "[ . 1 . 2]"
90 PSI 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 ALA N -65.00 -35.00 -49.98 -52.68 -47.54 . . 0 "[ . 1 . 2]"
91 PHI 1 56 ILE C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -81.10 -43.30 -59.90 -63.74 -56.04 . . 0 "[ . 1 . 2]"
92 PSI 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 GLU N -55.10 -23.20 -41.20 -34.02 -36.56 . . 0 "[ . 1 . 2]"
93 PHI 1 57 ALA C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -76.00 -56.00 -64.82 -73.49 -57.68 . . 0 "[ . 1 . 2]"
94 PSI 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 VAL N -56.10 -20.90 -37.08 -36.72 -37.53 . . 0 "[ . 1 . 2]"
95 PHI 1 58 GLU C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -87.70 -48.70 -60.24 -66.34 -51.05 . . 0 "[ . 1 . 2]"
96 PSI 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 LEU N -71.80 -22.80 -64.47 -65.30 -65.95 . . 0 "[ . 1 . 2]"
97 PHI 1 59 VAL C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -80.70 -43.20 -57.55 -61.57 -53.93 . . 0 "[ . 1 . 2]"
98 PSI 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ARG N -59.30 -20.50 -32.89 -34.20 -35.18 . . 0 "[ . 1 . 2]"
99 PHI 1 60 LEU C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -71.00 -50.30 -59.76 -61.31 -62.15 . . 0 "[ . 1 . 2]"
100 PSI 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 ASP N -57.20 -27.50 -54.79 -57.32 -47.86 0.12 13 0 "[ . 1 . 2]"
101 PHI 1 61 ARG C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -73.50 -53.50 -52.92 -56.88 -49.38 4.12 12 0 "[ . 1 . 2]"
102 PSI 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 LEU N -57.50 -28.70 -51.65 -53.05 -53.41 . . 0 "[ . 1 . 2]"
103 PHI 1 62 ASP C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -72.80 -52.80 -54.86 -53.99 -54.87 1.51 12 0 "[ . 1 . 2]"
104 PSI 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 TYR N -54.90 -26.40 -42.55 -47.87 -37.86 . . 0 "[ . 1 . 2]"
105 PHI 1 63 LEU C 1 64 TYR N 1 64 TYR CA 1 64 TYR C -76.20 -56.20 -63.08 -61.67 -62.38 0.34 7 0 "[ . 1 . 2]"
106 PSI 1 64 TYR N 1 64 TYR CA 1 64 TYR C 1 65 LEU N -50.60 -25.30 -50.17 -50.74 -46.49 0.14 15 0 "[ . 1 . 2]"
107 PHI 1 64 TYR C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -75.50 -55.50 -70.34 -70.67 -71.19 . . 0 "[ . 1 . 2]"
108 PSI 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 LEU N -50.90 -20.90 -24.87 -30.53 -19.33 1.57 12 0 "[ . 1 . 2]"
109 PHI 1 65 LEU C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -79.00 -53.10 -57.27 -59.52 -52.01 1.09 4 0 "[ . 1 . 2]"
110 PSI 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 LYS N -47.80 -7.90 -36.96 -31.48 -33.87 . . 0 "[ . 1 . 2]"
111 PHI 1 66 LEU C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -129.40 -61.80 -91.07 -108.73 -76.23 . . 0 "[ . 1 . 2]"
112 PSI 1 67 LYS N 1 67 LYS CA 1 67 LYS C 1 68 GLY N -32.30 29.00 -29.66 -32.32 -21.74 0.02 14 0 "[ . 1 . 2]"
113 PHI 1 67 LYS C 1 68 GLY N 1 68 GLY CA 1 68 GLY C 65.50 107.00 73.15 69.57 69.07 . . 0 "[ . 1 . 2]"
114 PSI 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 ASP N -10.80 35.40 15.78 21.57 20.47 . . 0 "[ . 1 . 2]"
115 PHI 1 68 GLY C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -176.10 -18.10 -149.67 -136.25 -142.93 . . 0 "[ . 1 . 2]"
116 PHI 1 69 ASP C 1 70 LYS N 1 70 LYS CA 1 70 LYS C -145.70 -41.20 -71.01 -66.49 -69.29 . . 0 "[ . 1 . 2]"
117 PHI 1 70 LYS C 1 71 ASP N 1 71 ASP CA 1 71 ASP C -143.80 -31.60 -88.01 -121.92 -76.88 . . 0 "[ . 1 . 2]"
118 PHI 1 71 ASP C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -175.30 -25.10 -64.20 -85.01 -54.34 . . 0 "[ . 1 . 2]"
119 PHI 1 72 LEU C 1 73 SER N 1 73 SER CA 1 73 SER C -128.20 -55.10 -65.35 -61.84 -63.00 . . 0 "[ . 1 . 2]"
120 PSI 1 73 SER N 1 73 SER CA 1 73 SER C 1 74 PHE N 138.20 -165.10 156.16 147.26 170.55 . . 0 "[ . 1 . 2]"
121 PHI 1 73 SER C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -71.90 -45.60 -51.51 -51.46 -51.77 . . 0 "[ . 1 . 2]"
122 PSI 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 GLY N -52.00 -21.80 -43.15 -50.70 -38.89 . . 0 "[ . 1 . 2]"
123 PHI 1 74 PHE C 1 75 GLY N 1 75 GLY CA 1 75 GLY C -86.00 -53.60 -62.17 -70.03 -56.53 . . 0 "[ . 1 . 2]"
124 PSI 1 75 GLY N 1 75 GLY CA 1 75 GLY C 1 76 GLU N -52.70 -22.30 -50.09 -52.78 -39.43 0.08 6 0 "[ . 1 . 2]"
125 PHI 1 75 GLY C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -72.90 -52.90 -66.23 -62.76 -64.69 0.08 5 0 "[ . 1 . 2]"
126 PSI 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ARG N -57.60 -21.20 -41.89 -38.31 -39.24 . . 0 "[ . 1 . 2]"
127 PHI 1 76 GLU C 1 77 ARG N 1 77 ARG CA 1 77 ARG C -74.70 -51.00 -53.84 -60.21 -49.04 1.96 5 0 "[ . 1 . 2]"
128 PSI 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 LYS N -55.90 -27.70 -32.50 -31.56 -32.89 . . 0 "[ . 1 . 2]"
129 PHI 1 77 ARG C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -74.60 -54.10 -54.67 -63.05 -50.03 4.07 5 0 "[ . 1 . 2]"
130 PSI 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 MET N -59.80 -29.80 -57.94 -58.27 -58.95 0.10 5 0 "[ . 1 . 2]"
131 PHI 1 78 LYS C 1 79 MET N 1 79 MET CA 1 79 MET C -76.40 -56.40 -75.94 -76.47 -70.54 0.07 10 0 "[ . 1 . 2]"
132 PSI 1 79 MET N 1 79 MET CA 1 79 MET C 1 80 LEU N -51.30 -31.30 -38.12 -38.54 -38.71 . . 0 "[ . 1 . 2]"
133 PHI 1 79 MET C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -72.80 -52.80 -54.78 -56.04 -56.13 0.61 18 0 "[ . 1 . 2]"
134 PSI 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 ASP N -54.40 -32.20 -48.10 -54.11 -44.16 . . 0 "[ . 1 . 2]"
135 PHI 1 80 LEU C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -76.20 -54.50 -51.00 -53.49 -48.21 6.29 12 4 "[* . 1 + .- *]"
136 PSI 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 THR N -51.40 -16.00 -38.62 -39.74 -39.80 . . 0 "[ . 1 . 2]"
137 PHI 1 81 ASP C 1 82 THR N 1 82 THR CA 1 82 THR C -86.20 -53.50 -73.18 -76.48 -68.83 . . 0 "[ . 1 . 2]"
138 PSI 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 ALA N -54.40 -26.40 -51.18 -50.05 -50.57 0.02 19 0 "[ . 1 . 2]"
139 PHI 1 82 THR C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -70.40 -50.40 -61.34 -66.34 -56.39 . . 0 "[ . 1 . 2]"
140 PSI 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 ARG N -51.50 -21.50 -30.55 -36.19 -26.79 . . 0 "[ . 1 . 2]"
141 PHI 1 83 ALA C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -71.20 -51.10 -62.33 -61.50 -62.31 . . 0 "[ . 1 . 2]"
142 PSI 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 SER N -56.50 -28.90 -53.28 -51.70 -53.41 . . 0 "[ . 1 . 2]"
143 PHI 1 84 ARG C 1 85 SER N 1 85 SER CA 1 85 SER C -76.80 -50.50 -60.21 -63.98 -55.38 . . 0 "[ . 1 . 2]"
144 PSI 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 LEU N -54.50 -18.50 -21.83 -21.56 -21.81 . . 0 "[ . 1 . 2]"
145 PHI 1 85 SER C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -92.40 -32.40 -92.34 -92.43 -92.46 0.15 7 0 "[ . 1 . 2]"
146 PSI 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 LEU N -53.60 -23.60 -37.68 -42.12 -32.35 . . 0 "[ . 1 . 2]"
147 PHI 1 86 LEU C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -74.20 -43.70 -49.73 -52.40 -53.00 . . 0 "[ . 1 . 2]"
148 PSI 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 ILE N -63.40 -22.20 -58.60 -58.96 -59.78 . . 0 "[ . 1 . 2]"
149 PHI 1 87 LEU C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -83.80 -53.80 -70.18 -70.36 -70.61 . . 0 "[ . 1 . 2]"
150 PSI 1 88 ILE N 1 88 ILE CA 1 88 ILE C 1 89 LYS N -70.90 -5.90 -18.28 -16.03 -17.13 . . 0 "[ . 1 . 2]"
151 PHI 1 88 ILE C 1 89 LYS N 1 89 LYS CA 1 89 LYS C -72.20 -48.30 -64.69 -67.27 -67.29 0.07 5 0 "[ . 1 . 2]"
152 PSI 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 GLU N -55.90 -30.80 -48.24 -49.81 -51.28 0.03 19 0 "[ . 1 . 2]"
153 PHI 1 89 LYS C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -82.80 -52.00 -76.91 -82.85 -66.06 0.05 13 0 "[ . 1 . 2]"
154 PSI 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 LEU N -49.00 -29.00 -47.75 -49.10 -39.90 0.10 15 0 "[ . 1 . 2]"
155 PHI 1 90 GLU C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -72.90 -52.90 -64.51 -64.71 -66.82 . . 0 "[ . 1 . 2]"
156 PSI 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 SER N -60.50 -10.50 -18.08 -15.52 -16.12 . . 0 "[ . 1 . 2]"
157 PHI 1 91 LEU C 1 92 SER N 1 92 SER CA 1 92 SER C -72.30 -42.30 -46.00 -52.92 -42.03 0.27 16 0 "[ . 1 . 2]"
158 PSI 1 92 SER N 1 92 SER CA 1 92 SER C 1 93 LEU N -55.10 -21.70 -33.50 -23.03 -26.34 . . 0 "[ . 1 . 2]"
159 PHI 1 92 SER C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -75.90 -55.90 -56.82 -62.93 -53.64 2.26 14 0 "[ . 1 . 2]"
160 PSI 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 ALA N -72.30 -30.70 -65.18 -70.45 -56.97 . . 0 "[ . 1 . 2]"
161 PHI 1 93 LEU C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -82.70 -53.40 -72.89 -74.69 -76.28 . . 0 "[ . 1 . 2]"
162 PSI 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 LYS N -48.40 -11.10 -20.31 -10.95 -17.58 1.20 8 0 "[ . 1 . 2]"
163 PHI 1 94 ALA C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -117.40 -43.80 -51.79 -51.38 -52.97 . . 0 "[ . 1 . 2]"
164 PSI 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 ASP N -54.80 16.70 -47.08 -41.20 -43.98 0.07 4 0 "[ . 1 . 2]"
165 PHI 1 95 LYS C 1 96 ASP N 1 96 ASP CA 1 96 ASP C 28.50 100.00 46.41 42.12 50.50 . . 0 "[ . 1 . 2]"
166 PSI 1 96 ASP N 1 96 ASP CA 1 96 ASP C 1 97 CYS N 5.50 77.80 31.79 24.55 37.67 . . 0 "[ . 1 . 2]"
167 PHI 1 97 CYS C 1 98 SER N 1 98 SER CA 1 98 SER C -106.80 -42.80 -66.31 -73.04 -60.19 . . 0 "[ . 1 . 2]"
168 PSI 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 GLU N 147.60 178.90 157.92 165.99 163.19 . . 0 "[ . 1 . 2]"
169 PHI 1 98 SER C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -68.60 -48.60 -54.51 -58.91 -49.72 . . 0 "[ . 1 . 2]"
170 PSI 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 ASP N -47.50 -16.70 -28.34 -30.54 -27.37 . . 0 "[ . 1 . 2]"
171 PHI 1 99 GLU C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -70.70 -48.70 -52.28 -54.17 -51.03 . . 0 "[ . 1 . 2]"
172 PSI 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 GLU N -54.60 -23.90 -25.96 -25.48 -26.13 0.40 18 0 "[ . 1 . 2]"
173 PHI 1 100 ASP C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -74.30 -54.30 -56.24 -59.74 -53.75 0.55 17 0 "[ . 1 . 2]"
174 PSI 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 ILE N -59.80 -27.20 -58.04 -59.89 -52.23 0.09 18 0 "[ . 1 . 2]"
175 PHI 1 101 GLU C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -81.30 -54.20 -79.38 -77.22 -77.83 0.00 10 0 "[ . 1 . 2]"
176 PSI 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 GLU N -47.30 -27.30 -42.07 -43.54 -46.28 . . 0 "[ . 1 . 2]"
177 PHI 1 102 ILE C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -76.50 -48.20 -57.61 -60.69 -54.31 . . 0 "[ . 1 . 2]"
178 PSI 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 SER N -56.20 -22.80 -47.60 -50.95 -45.81 . . 0 "[ . 1 . 2]"
179 PHI 1 103 GLU C 1 104 SER N 1 104 SER CA 1 104 SER C -74.80 -54.80 -74.59 -74.87 -73.56 0.07 13 0 "[ . 1 . 2]"
180 PSI 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 ASP N -50.80 -20.80 -29.98 -33.09 -33.91 1.03 10 0 "[ . 1 . 2]"
181 PHI 1 104 SER C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -78.50 -48.50 -56.47 -55.95 -56.12 . . 0 "[ . 1 . 2]"
182 PSI 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 LEU N -57.10 -16.40 -23.97 -22.24 -23.05 . . 0 "[ . 1 . 2]"
183 PHI 1 105 ASP C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -73.30 -52.40 -54.79 -58.05 -52.70 . . 0 "[ . 1 . 2]"
184 PSI 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 LYS N -50.30 -30.30 -37.45 -36.91 -37.98 . . 0 "[ . 1 . 2]"
185 PHI 1 106 LEU C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -81.80 -48.90 -63.27 -66.13 -59.72 . . 0 "[ . 1 . 2]"
186 PSI 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 LYS N -55.70 -18.90 -28.31 -27.41 -29.38 . . 0 "[ . 1 . 2]"
187 PHI 1 107 LYS C 1 108 LYS N 1 108 LYS CA 1 108 LYS C -93.80 -53.80 -86.84 -93.86 -72.81 0.06 7 0 "[ . 1 . 2]"
188 PSI 1 108 LYS N 1 108 LYS CA 1 108 LYS C 1 109 ILE N -54.20 -19.90 -25.53 -36.94 -15.59 4.31 9 0 "[ . 1 . 2]"
189 PHI 1 108 LYS C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -99.50 -50.70 -84.37 -86.49 -87.40 . . 0 "[ . 1 . 2]"
190 PSI 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 PHE N -68.00 -22.60 -63.67 -68.04 -43.24 0.04 5 0 "[ . 1 . 2]"
191 PHI 1 109 ILE C 1 110 PHE N 1 110 PHE CA 1 110 PHE C -128.00 -49.40 -82.43 -78.79 -80.27 . . 0 "[ . 1 . 2]"
192 PSI 1 110 PHE N 1 110 PHE CA 1 110 PHE C 1 111 ASN N -21.10 20.00 -2.99 -14.27 8.41 . . 0 "[ . 1 . 2]"
193 PHI 1 111 ASN C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -125.90 -49.50 -91.81 -125.85 -76.74 . . 0 "[ . 1 . 2]"
stop_
save_