Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533698 | 2km8 RC | 16425 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2km8
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 330
_TA_constraint_stats_list.Viol_total 4443.35
_TA_constraint_stats_list.Viol_max 6.84
_TA_constraint_stats_list.Viol_rms 0.67
_TA_constraint_stats_list.Viol_average_all_restraints 0.22
_TA_constraint_stats_list.Viol_average_violations_only 1.35
_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 . 2 3 PRO C 2 4 SER N 2 4 SER CA 2 4 SER C -172.20 -70.80 -153.76 -154.44 -155.92 . . 0 "[ . 1]"
2 . 2 4 SER N 2 4 SER CA 2 4 SER C 2 5 ARG N 108.30 -164.70 127.68 107.22 136.98 1.08 2 0 "[ . 1]"
3 . 2 5 ARG C 2 6 VAL N 2 6 VAL CA 2 6 VAL C -156.60 -70.40 -129.88 -140.85 -116.07 . . 0 "[ . 1]"
4 . 2 6 VAL N 2 6 VAL CA 2 6 VAL C 2 7 VAL N 111.50 172.10 158.29 151.38 170.18 . . 0 "[ . 1]"
5 . 2 6 VAL C 2 7 VAL N 2 7 VAL CA 2 7 VAL C -152.10 -96.90 -120.05 -108.59 -116.92 . . 0 "[ . 1]"
6 . 2 7 VAL N 2 7 VAL CA 2 7 VAL C 2 8 TYR N 134.10 173.70 138.97 131.84 144.64 2.26 3 0 "[ . 1]"
7 . 2 7 VAL C 2 8 TYR N 2 8 TYR CA 2 8 TYR C -153.40 -98.80 -108.87 -102.24 -105.32 . . 0 "[ . 1]"
8 . 2 8 TYR N 2 8 TYR CA 2 8 TYR C 2 9 LEU N 108.00 162.40 131.43 116.93 155.57 . . 0 "[ . 1]"
9 . 2 8 TYR C 2 9 LEU N 2 9 LEU CA 2 9 LEU C -140.80 -102.40 -113.40 -102.71 -106.61 0.42 2 0 "[ . 1]"
10 . 2 9 LEU N 2 9 LEU CA 2 9 LEU C 2 10 GLY N 105.60 -178.00 120.92 127.52 121.28 0.27 6 0 "[ . 1]"
11 . 2 10 GLY C 2 11 SER N 2 11 SER CA 2 11 SER C -133.00 -70.40 -79.87 -111.58 -68.85 1.55 6 0 "[ . 1]"
12 . 2 13 PRO C 2 14 TYR N 2 14 TYR CA 2 14 TYR C -94.20 -36.60 -65.22 -74.57 -55.71 . . 0 "[ . 1]"
13 . 2 14 TYR N 2 14 TYR CA 2 14 TYR C 2 15 ASP N -88.70 2.10 2.66 -0.91 5.85 3.75 4 0 "[ . 1]"
14 . 2 17 THR C 2 18 GLU N 2 18 GLU CA 2 18 GLU C -89.00 -29.00 -61.68 -58.20 -60.63 . . 0 "[ . 1]"
15 . 2 18 GLU N 2 18 GLU CA 2 18 GLU C 2 19 GLU N -69.10 -22.10 -29.04 -26.39 -28.36 . . 0 "[ . 1]"
16 . 2 18 GLU C 2 19 GLU N 2 19 GLU CA 2 19 GLU C -84.70 -0.90 -69.58 -69.69 -71.18 . . 0 "[ . 1]"
17 . 2 19 GLU N 2 19 GLU CA 2 19 GLU C 2 20 GLN N -57.90 -26.30 -55.45 -58.55 -53.95 0.65 3 0 "[ . 1]"
18 . 2 19 GLU C 2 20 GLN N 2 20 GLN CA 2 20 GLN C -75.10 -53.30 -68.18 -69.52 -66.37 . . 0 "[ . 1]"
19 . 2 20 GLN N 2 20 GLN CA 2 20 GLN C 2 21 ILE N -57.50 -30.70 -43.46 -44.50 -48.11 . . 0 "[ . 1]"
20 . 2 20 GLN C 2 21 ILE N 2 21 ILE CA 2 21 ILE C -90.60 -48.20 -59.34 -63.44 -54.53 . . 0 "[ . 1]"
21 . 2 21 ILE N 2 21 ILE CA 2 21 ILE C 2 22 LEU N -52.10 -19.30 -52.81 -52.28 -52.58 2.67 7 0 "[ . 1]"
22 . 2 21 ILE C 2 22 LEU N 2 22 LEU CA 2 22 LEU C -97.10 -35.10 -42.11 -58.50 -36.90 . . 0 "[ . 1]"
23 . 2 22 LEU N 2 22 LEU CA 2 22 LEU C 2 23 ASP N -54.00 -22.20 -24.34 -37.31 -19.56 2.64 3 0 "[ . 1]"
24 . 2 23 ASP C 2 24 LEU N 2 24 LEU CA 2 24 LEU C -70.60 -50.60 -58.83 -62.97 -52.10 . . 0 "[ . 1]"
25 . 2 24 LEU N 2 24 LEU CA 2 24 LEU C 2 25 CYS N -55.60 -31.20 -42.48 -48.84 -37.59 . . 0 "[ . 1]"
26 . 2 24 LEU C 2 25 CYS N 2 25 CYS CA 2 25 CYS C -100.00 -28.00 -79.92 -61.59 -77.68 . . 0 "[ . 1]"
27 . 2 25 CYS N 2 25 CYS CA 2 25 CYS C 2 26 SER N -90.70 -40.30 -64.37 -68.67 -60.78 . . 0 "[ . 1]"
28 . 2 25 CYS C 2 26 SER N 2 26 SER CA 2 26 SER C -57.50 -32.30 -37.15 -33.39 -37.16 0.58 5 0 "[ . 1]"
29 . 2 26 SER N 2 26 SER CA 2 26 SER C 2 27 ASN N -55.50 -12.10 -21.56 -33.35 -15.75 . . 0 "[ . 1]"
30 . 2 32 ILE C 2 33 ASN N 2 33 ASN CA 2 33 ASN C -178.60 -118.20 -125.86 -119.86 -126.54 0.48 6 0 "[ . 1]"
31 . 2 33 ASN N 2 33 ASN CA 2 33 ASN C 2 34 LEU N 124.40 160.80 140.90 126.12 155.53 . . 0 "[ . 1]"
32 . 2 33 ASN C 2 34 LEU N 2 34 LEU CA 2 34 LEU C -157.80 -78.60 -135.83 -133.00 -139.37 . . 0 "[ . 1]"
33 . 2 34 LEU N 2 34 LEU CA 2 34 LEU C 2 35 LYS N 100.10 152.70 129.16 126.36 132.20 . . 0 "[ . 1]"
34 . 2 34 LEU C 2 35 LYS N 2 35 LYS CA 2 35 LYS C 153.30 -112.90 -140.44 -145.81 -137.08 . . 0 "[ . 1]"
35 . 2 35 LYS N 2 35 LYS CA 2 35 LYS C 2 36 MET N 104.50 -177.70 130.08 116.54 147.92 . . 0 "[ . 1]"
36 . 2 35 LYS C 2 36 MET N 2 36 MET CA 2 36 MET C -158.40 -58.80 -117.91 -127.90 -133.25 . . 0 "[ . 1]"
37 . 2 36 MET N 2 36 MET CA 2 36 MET C 2 37 MET N 95.90 164.90 136.57 128.61 150.36 . . 0 "[ . 1]"
38 . 2 36 MET C 2 37 MET N 2 37 MET CA 2 37 MET C 144.20 -110.80 -156.40 -155.69 -158.39 . . 0 "[ . 1]"
39 . 2 37 MET N 2 37 MET CA 2 37 MET C 2 38 PHE N 96.90 168.30 157.04 144.18 170.76 2.46 10 0 "[ . 1]"
40 . 2 38 PHE N 2 38 PHE CA 2 38 PHE C 2 39 ASP N 102.50 -163.90 175.88 134.59 -166.93 . . 0 "[ . 1]"
41 . 2 38 PHE C 2 39 ASP N 2 39 ASP CA 2 39 ASP C -136.00 -45.60 -95.89 -117.10 -42.05 3.55 7 0 "[ . 1]"
42 . 2 39 ASP N 2 39 ASP CA 2 39 ASP C 2 40 PRO N 71.80 -175.20 84.16 69.86 105.39 1.94 4 0 "[ . 1]"
43 . 2 40 PRO C 2 41 GLN N 2 41 GLN CA 2 41 GLN C -102.00 -41.80 -84.44 -87.42 -101.99 3.89 7 0 "[ . 1]"
44 . 2 41 GLN N 2 41 GLN CA 2 41 GLN C 2 42 THR N -74.40 13.40 -51.28 -54.14 -59.91 . . 0 "[ . 1]"
45 . 2 47 GLY C 2 48 TYR N 2 48 TYR CA 2 48 TYR C -172.20 -72.00 -113.18 -108.67 -112.52 . . 0 "[ . 1]"
46 . 2 48 TYR N 2 48 TYR CA 2 48 TYR C 2 49 ALA N 124.00 -169.00 129.45 123.57 139.60 0.43 4 0 "[ . 1]"
47 . 2 48 TYR C 2 49 ALA N 2 49 ALA CA 2 49 ALA C -165.00 -97.80 -144.79 -151.08 -137.88 . . 0 "[ . 1]"
48 . 2 49 ALA N 2 49 ALA CA 2 49 ALA C 2 50 PHE N 130.30 178.10 143.03 145.85 143.73 . . 0 "[ . 1]"
49 . 2 49 ALA C 2 50 PHE N 2 50 PHE CA 2 50 PHE C -161.00 -86.80 -112.56 -125.97 -103.49 . . 0 "[ . 1]"
50 . 2 50 PHE N 2 50 PHE CA 2 50 PHE C 2 51 ILE N 109.50 167.90 126.91 129.40 126.99 . . 0 "[ . 1]"
51 . 2 50 PHE C 2 51 ILE N 2 51 ILE CA 2 51 ILE C -159.50 -92.30 -118.95 -122.49 -115.27 . . 0 "[ . 1]"
52 . 2 51 ILE N 2 51 ILE CA 2 51 ILE C 2 52 GLU N 91.60 172.00 110.17 108.67 102.33 . . 0 "[ . 1]"
53 . 2 51 ILE C 2 52 GLU N 2 52 GLU CA 2 52 GLU C -134.50 -80.70 -95.13 -136.03 -80.48 1.53 7 0 "[ . 1]"
54 . 2 52 GLU N 2 52 GLU CA 2 52 GLU C 2 53 PHE N 112.20 144.00 132.10 134.12 133.14 . . 0 "[ . 1]"
55 . 2 52 GLU C 2 53 PHE N 2 53 PHE CA 2 53 PHE C -138.50 -41.50 -95.45 -105.74 -86.72 . . 0 "[ . 1]"
56 . 2 53 PHE N 2 53 PHE CA 2 53 PHE C 2 54 ARG N 119.80 179.40 174.88 168.61 179.86 0.46 8 0 "[ . 1]"
57 . 2 56 LEU C 2 57 GLU N 2 57 GLU CA 2 57 GLU C -77.90 -55.90 -70.88 -74.43 -69.84 . . 0 "[ . 1]"
58 . 2 57 GLU C 2 58 SER N 2 58 SER CA 2 58 SER C -83.70 -51.30 -61.76 -60.87 -61.73 . . 0 "[ . 1]"
59 . 2 58 SER N 2 58 SER CA 2 58 SER C 2 59 SER N -58.50 -26.50 -40.85 -45.02 -36.62 . . 0 "[ . 1]"
60 . 2 58 SER C 2 59 SER N 2 59 SER CA 2 59 SER C -79.90 -47.90 -61.70 -62.35 -62.54 . . 0 "[ . 1]"
61 . 2 59 SER N 2 59 SER CA 2 59 SER C 2 60 ALA N -56.90 -30.10 -35.86 -29.93 -34.56 0.17 2 0 "[ . 1]"
62 . 2 59 SER C 2 60 ALA N 2 60 ALA CA 2 60 ALA C -78.60 -46.20 -61.01 -67.23 -56.23 . . 0 "[ . 1]"
63 . 2 60 ALA N 2 60 ALA CA 2 60 ALA C 2 61 SER N -61.20 -24.80 -60.18 -61.80 -56.66 0.60 7 0 "[ . 1]"
64 . 2 60 ALA C 2 61 SER N 2 61 SER CA 2 61 SER C -83.80 -51.80 -63.29 -63.29 -64.58 . . 0 "[ . 1]"
65 . 2 61 SER N 2 61 SER CA 2 61 SER C 2 62 ALA N -55.60 -18.00 -39.10 -45.77 -34.19 . . 0 "[ . 1]"
66 . 2 61 SER C 2 62 ALA N 2 62 ALA CA 2 62 ALA C -93.50 -42.30 -77.71 -68.46 -73.51 . . 0 "[ . 1]"
67 . 2 62 ALA N 2 62 ALA CA 2 62 ALA C 2 63 VAL N -65.40 -25.40 -63.86 -67.71 -58.26 2.31 10 0 "[ . 1]"
68 . 2 62 ALA C 2 63 VAL N 2 63 VAL CA 2 63 VAL C -74.60 -46.60 -52.01 -53.59 -56.16 . . 0 "[ . 1]"
69 . 2 63 VAL N 2 63 VAL CA 2 63 VAL C 2 64 ARG N -57.30 -32.90 -39.38 -31.77 -37.81 1.13 2 0 "[ . 1]"
70 . 2 63 VAL C 2 64 ARG N 2 64 ARG CA 2 64 ARG C -76.20 -45.00 -66.60 -65.00 -66.82 . . 0 "[ . 1]"
71 . 2 64 ARG N 2 64 ARG CA 2 64 ARG C 2 65 ASN N -56.20 -24.20 -49.50 -56.57 -43.35 0.37 8 0 "[ . 1]"
72 . 2 64 ARG C 2 65 ASN N 2 65 ASN CA 2 65 ASN C -101.70 -58.70 -74.02 -88.07 -67.02 . . 0 "[ . 1]"
73 . 2 65 ASN N 2 65 ASN CA 2 65 ASN C 2 66 LEU N -59.30 -8.70 -45.67 -42.80 -43.80 0.18 4 0 "[ . 1]"
74 . 2 67 ASN C 2 68 GLY N 2 68 GLY CA 2 68 GLY C -173.00 -98.80 -132.25 -137.48 -125.11 . . 0 "[ . 1]"
75 . 2 68 GLY N 2 68 GLY CA 2 68 GLY C 2 69 TYR N 104.50 162.90 113.61 114.90 108.11 0.15 1 0 "[ . 1]"
76 . 2 68 GLY C 2 69 TYR N 2 69 TYR CA 2 69 TYR C -142.60 -68.40 -137.13 -139.87 -130.37 . . 0 "[ . 1]"
77 . 2 69 TYR N 2 69 TYR CA 2 69 TYR C 2 70 GLN N 101.80 148.80 145.79 148.81 147.55 0.96 2 0 "[ . 1]"
78 . 2 70 GLN N 2 70 GLN CA 2 70 GLN C 2 71 LEU N 69.50 135.50 90.50 84.28 94.02 . . 0 "[ . 1]"
79 . 2 70 GLN C 2 71 LEU N 2 71 LEU CA 2 71 LEU C -153.90 -71.90 -150.46 -154.79 -140.80 0.89 6 0 "[ . 1]"
80 . 2 71 LEU N 2 71 LEU CA 2 71 LEU C 2 72 GLY N 84.10 160.90 126.01 104.81 140.80 . . 0 "[ . 1]"
81 . 2 73 SER C 2 74 ARG N 2 74 ARG CA 2 74 ARG C 145.70 -131.50 -135.30 -146.78 -131.02 0.48 1 0 "[ . 1]"
82 . 2 74 ARG N 2 74 ARG CA 2 74 ARG C 2 75 PHE N 96.00 160.00 158.12 163.52 161.19 3.95 5 0 "[ . 1]"
83 . 2 74 ARG C 2 75 PHE N 2 75 PHE CA 2 75 PHE C -162.10 -96.50 -95.44 -93.41 -94.57 3.81 5 0 "[ . 1]"
84 . 2 75 PHE N 2 75 PHE CA 2 75 PHE C 2 76 LEU N 110.40 176.60 137.40 127.36 143.92 . . 0 "[ . 1]"
85 . 2 76 LEU N 2 76 LEU CA 2 76 LEU C 2 77 LYS N 100.20 166.00 148.66 150.19 145.49 . . 0 "[ . 1]"
86 . 2 76 LEU C 2 77 LYS N 2 77 LYS CA 2 77 LYS C -156.00 -108.80 -118.92 -139.16 -108.40 0.40 8 0 "[ . 1]"
87 . 2 77 LYS N 2 77 LYS CA 2 77 LYS C 2 78 CYS N 105.10 -177.10 149.25 126.81 170.05 . . 0 "[ . 1]"
88 . 2 77 LYS C 2 78 CYS N 2 78 CYS CA 2 78 CYS C -160.20 -75.20 -84.84 -75.07 -77.20 1.87 3 0 "[ . 1]"
89 . 2 78 CYS N 2 78 CYS CA 2 78 CYS C 2 79 GLY N 87.80 179.60 124.17 113.69 108.46 4.32 3 0 "[ . 1]"
90 . 2 83 ASN C 2 84 SER N 2 84 SER CA 2 84 SER C -70.50 -50.50 -60.00 -72.40 -49.65 1.90 2 0 "[ . 1]"
91 . 1 1 U C4' 1 1 U O4' 1 1 U C1' 1 1 U C2' -26.00 -10.00 -13.64 -14.44 -13.09 . . 0 "[ . 1]"
92 . 1 1 U O4' 1 1 U C1' 1 1 U C2' 1 1 U C3' 26.00 42.00 25.42 25.45 25.28 0.97 4 0 "[ . 1]"
93 . 1 1 U C1' 1 1 U C2' 1 1 U C3' 1 1 U C4' -45.00 -29.00 -27.01 -27.50 -26.55 2.45 3 0 "[ . 1]"
94 . 1 1 U C2' 1 1 U C3' 1 1 U C4' 1 1 U O4' 18.00 34.00 19.61 19.72 19.49 . . 0 "[ . 1]"
95 . 1 2 A C4' 1 2 A O4' 1 2 A C1' 1 2 A C2' -26.00 -10.00 -15.62 -13.13 -15.10 . . 0 "[ . 1]"
96 . 1 2 A O4' 1 2 A C1' 1 2 A C2' 1 2 A C3' 26.00 42.00 26.62 23.41 32.78 2.59 2 0 "[ . 1]"
97 . 1 2 A C1' 1 2 A C2' 1 2 A C3' 1 2 A C4' -45.00 -29.00 -27.16 -29.67 -26.27 2.73 8 0 "[ . 1]"
98 . 1 2 A C2' 1 2 A C3' 1 2 A C4' 1 2 A O4' 18.00 34.00 18.55 19.47 17.89 1.40 4 0 "[ . 1]"
99 . 1 3 U C4' 1 3 U O4' 1 3 U C1' 1 3 U C2' -26.00 -10.00 -18.90 -26.46 -13.41 0.46 2 0 "[ . 1]"
100 . 1 3 U O4' 1 3 U C1' 1 3 U C2' 1 3 U C3' 26.00 42.00 29.70 35.07 32.71 0.22 1 0 "[ . 1]"
101 . 1 3 U C1' 1 3 U C2' 1 3 U C3' 1 3 U C4' -45.00 -29.00 -28.69 -31.45 -26.55 2.45 8 0 "[ . 1]"
102 . 1 3 U C2' 1 3 U C3' 1 3 U C4' 1 3 U O4' 18.00 34.00 18.34 16.75 21.14 1.25 2 0 "[ . 1]"
103 . 1 4 A C4' 1 4 A O4' 1 4 A C1' 1 4 A C2' -26.00 -10.00 -14.57 -12.08 -13.58 0.12 4 0 "[ . 1]"
104 . 1 4 A O4' 1 4 A C1' 1 4 A C2' 1 4 A C3' 26.00 42.00 26.09 23.14 33.99 2.86 4 0 "[ . 1]"
105 . 1 4 A C1' 1 4 A C2' 1 4 A C3' 1 4 A C4' -45.00 -29.00 -27.20 -28.85 -25.92 3.08 3 0 "[ . 1]"
106 . 1 4 A C2' 1 4 A C3' 1 4 A C4' 1 4 A O4' 18.00 34.00 19.22 20.22 19.05 3.24 6 0 "[ . 1]"
107 . 1 6 A C4' 1 6 A O4' 1 6 A C1' 1 6 A C2' -26.00 -10.00 -21.62 -23.44 -25.37 . . 0 "[ . 1]"
108 . 1 6 A O4' 1 6 A C1' 1 6 A C2' 1 6 A C3' 26.00 42.00 31.14 28.70 34.23 . . 0 "[ . 1]"
109 . 1 6 A C1' 1 6 A C2' 1 6 A C3' 1 6 A C4' -45.00 -29.00 -28.58 -29.02 -29.53 1.88 3 0 "[ . 1]"
110 . 1 6 A C2' 1 6 A C3' 1 6 A C4' 1 6 A O4' 18.00 34.00 16.64 16.12 15.71 2.29 1 0 "[ . 1]"
111 . 1 7 U C4' 1 7 U O4' 1 7 U C1' 1 7 U C2' -26.00 -10.00 -16.82 -21.45 -12.29 . . 0 "[ . 1]"
112 . 1 7 U O4' 1 7 U C1' 1 7 U C2' 1 7 U C3' 26.00 42.00 27.98 27.82 25.83 1.14 6 0 "[ . 1]"
113 . 1 7 U C1' 1 7 U C2' 1 7 U C3' 1 7 U C4' -45.00 -29.00 -27.99 -28.81 -26.98 2.02 1 0 "[ . 1]"
114 . 1 7 U C2' 1 7 U C3' 1 7 U C4' 1 7 U O4' 18.00 34.00 18.94 17.16 20.91 0.84 9 0 "[ . 1]"
115 . 1 8 A O4' 1 8 A C1' 1 8 A N9 1 8 A C4 -158.00 25.00 -125.65 -151.07 -89.89 . . 0 "[ . 1]"
116 . 1 9 A O4' 1 9 A C1' 1 9 A N9 1 9 A C4 -158.00 25.00 -114.92 -114.20 -131.46 . . 0 "[ . 1]"
117 . 1 10 U O4' 1 10 U C1' 1 10 U N1 1 10 U C2 -158.00 25.00 -130.05 -147.13 -147.66 . . 0 "[ . 1]"
118 . 1 11 A O4' 1 11 A C1' 1 11 A N9 1 11 A C4 -158.00 25.00 -138.60 -158.79 -109.47 0.79 5 0 "[ . 1]"
119 . 1 12 A O4' 1 12 A C1' 1 12 A N9 1 12 A C4 -158.00 25.00 -149.59 -150.21 -150.68 1.70 7 0 "[ . 1]"
120 . 1 13 U O4' 1 13 U C1' 1 13 U N1 1 13 U C2 -158.00 25.00 -115.83 -151.36 -92.38 . . 0 "[ . 1]"
121 . 3 2 GLU C 3 3 SER N 3 3 SER CA 3 3 SER C -166.60 -80.40 -132.36 -158.73 -111.93 . . 0 "[ . 1]"
122 . 3 3 SER N 3 3 SER CA 3 3 SER C 3 4 CYS N 111.50 172.10 150.29 150.01 142.49 . . 0 "[ . 1]"
123 . 3 10 GLY C 3 11 LEU N 3 11 LEU CA 3 11 LEU C -166.80 -60.40 -67.85 -62.27 -68.26 0.67 2 0 "[ . 1]"
124 . 3 11 LEU N 3 11 LEU CA 3 11 LEU C 3 12 ASN N 91.10 172.10 161.86 150.69 142.32 0.15 3 0 "[ . 1]"
125 . 3 11 LEU C 3 12 ASN N 3 12 ASN CA 3 12 ASN C -150.00 -70.00 -72.78 -68.92 -69.27 2.21 3 0 "[ . 1]"
126 . 3 15 THR C 3 16 THR N 3 16 THR CA 3 16 THR C -168.30 -72.10 -102.35 -94.17 -102.82 . . 0 "[ . 1]"
127 . 3 16 THR N 3 16 THR CA 3 16 THR C 3 17 GLU N 111.50 172.10 165.51 138.92 173.89 1.79 10 0 "[ . 1]"
128 . 3 16 THR C 3 17 GLU N 3 17 GLU CA 3 17 GLU C -123.20 -23.00 -67.93 -62.81 -69.66 . . 0 "[ . 1]"
129 . 3 17 GLU N 3 17 GLU CA 3 17 GLU C 3 18 ASP N -80.90 -12.10 -68.51 -63.92 -66.90 . . 0 "[ . 1]"
130 . 3 17 GLU C 3 18 ASP N 3 18 ASP CA 3 18 ASP C -126.30 -13.70 -44.21 -50.55 -38.34 . . 0 "[ . 1]"
131 . 3 18 ASP N 3 18 ASP CA 3 18 ASP C 3 19 ASN N -74.60 -18.40 -45.41 -33.53 -36.13 0.31 10 0 "[ . 1]"
132 . 3 18 ASP C 3 19 ASN N 3 19 ASN CA 3 19 ASN C -109.10 -38.90 -63.76 -80.02 -34.70 4.20 3 0 "[ . 1]"
133 . 3 19 ASN N 3 19 ASN CA 3 19 ASN C 3 20 LEU N -64.60 -16.20 -49.12 -50.84 -52.21 . . 0 "[ . 1]"
134 . 3 21 ARG C 3 22 GLU N 3 22 GLU CA 3 22 GLU C -124.00 -18.00 -41.29 -49.47 -35.94 . . 0 "[ . 1]"
135 . 3 22 GLU N 3 22 GLU CA 3 22 GLU C 3 23 TYR N -69.50 -11.50 -29.55 -28.10 -30.35 . . 0 "[ . 1]"
136 . 3 26 LYS C 3 27 TYR N 3 27 TYR CA 3 27 TYR C -139.60 -58.00 -102.59 -127.91 -77.46 . . 0 "[ . 1]"
137 . 3 27 TYR N 3 27 TYR CA 3 27 TYR C 3 28 GLY N -83.00 -5.00 -40.82 -50.70 -58.46 1.16 4 0 "[ . 1]"
138 . 3 28 GLY C 3 29 THR N 3 29 THR CA 3 29 THR C -167.10 -99.90 -123.84 -122.76 -122.89 1.00 10 0 "[ . 1]"
139 . 3 29 THR N 3 29 THR CA 3 29 THR C 3 30 VAL N 110.00 171.80 145.90 135.20 154.92 . . 0 "[ . 1]"
140 . 3 29 THR C 3 30 VAL N 3 30 VAL CA 3 30 VAL C 175.70 -60.10 -114.96 -120.44 -126.39 . . 0 "[ . 1]"
141 . 3 30 VAL N 3 30 VAL CA 3 30 VAL C 3 31 THR N 119.60 -160.40 140.65 129.33 159.70 . . 0 "[ . 1]"
142 . 3 43 ARG C 3 44 SER N 3 44 SER CA 3 44 SER C -166.60 -79.40 -157.37 -167.31 -142.99 0.71 2 0 "[ . 1]"
143 . 3 44 SER N 3 44 SER CA 3 44 SER C 3 45 ARG N 102.00 169.20 165.26 171.64 170.61 3.57 7 0 "[ . 1]"
144 . 3 45 ARG C 3 46 GLY N 3 46 GLY CA 3 46 GLY C 179.40 -79.40 -100.78 -153.06 -77.14 2.26 3 0 "[ . 1]"
145 . 3 46 GLY N 3 46 GLY CA 3 46 GLY C 3 47 PHE N 95.20 162.40 111.43 108.29 94.28 3.95 1 0 "[ . 1]"
146 . 3 46 GLY C 3 47 PHE N 3 47 PHE CA 3 47 PHE C -169.30 -85.10 -140.09 -141.31 -152.25 1.88 7 0 "[ . 1]"
147 . 3 47 PHE N 3 47 PHE CA 3 47 PHE C 3 48 GLY N 108.60 170.60 159.21 134.11 169.47 . . 0 "[ . 1]"
148 . 3 55 PRO C 3 56 SER N 3 56 SER CA 3 56 SER C -96.00 -24.00 -67.91 -82.64 -61.34 . . 0 "[ . 1]"
149 . 3 56 SER N 3 56 SER CA 3 56 SER C 3 57 SER N -68.70 -22.30 -59.89 -70.44 -46.60 1.74 2 0 "[ . 1]"
150 . 3 56 SER C 3 57 SER N 3 57 SER CA 3 57 SER C -99.00 -21.00 -39.74 -39.58 -40.64 . . 0 "[ . 1]"
151 . 3 57 SER N 3 57 SER CA 3 57 SER C 3 58 VAL N -84.70 -6.30 -27.41 -25.82 -28.57 . . 0 "[ . 1]"
152 . 3 57 SER C 3 58 VAL N 3 58 VAL CA 3 58 VAL C -96.00 -24.00 -67.49 -61.99 -64.91 . . 0 "[ . 1]"
153 . 3 58 VAL N 3 58 VAL CA 3 58 VAL C 3 59 ASP N -68.70 -22.30 -37.04 -20.18 -34.52 2.12 2 0 "[ . 1]"
154 . 3 67 ILE C 3 68 LEU N 3 68 LEU CA 3 68 LEU C -124.00 -12.60 -59.60 -58.44 -73.02 . . 0 "[ . 1]"
155 . 3 68 LEU N 3 68 LEU CA 3 68 LEU C 3 69 ASP N -71.00 -15.60 -68.24 -72.28 -56.68 1.28 2 0 "[ . 1]"
156 . 3 71 LYS C 3 72 VAL N 3 72 VAL CA 3 72 VAL C 155.70 -80.10 -156.99 155.39 -115.07 0.31 5 0 "[ . 1]"
157 . 3 72 VAL N 3 72 VAL CA 3 72 VAL C 3 73 ILE N 91.60 -152.40 99.82 135.30 109.06 2.30 7 0 "[ . 1]"
158 . 3 72 VAL C 3 73 ILE N 3 73 ILE CA 3 73 ILE C -179.60 -86.40 -104.57 -139.62 -84.97 1.43 10 0 "[ . 1]"
159 . 3 73 ILE N 3 73 ILE CA 3 73 ILE C 3 74 ASP N 116.90 -150.30 150.39 159.18 153.19 . . 0 "[ . 1]"
160 . 3 73 ILE C 3 74 ASP N 3 74 ASP CA 3 74 ASP C -172.40 -87.00 -122.25 -135.79 -112.78 . . 0 "[ . 1]"
161 . 3 74 ASP N 3 74 ASP CA 3 74 ASP C 3 75 PRO N 99.10 -161.30 100.96 98.05 97.36 2.69 5 0 "[ . 1]"
162 . 3 75 PRO C 3 76 LYS N 3 76 LYS CA 3 76 LYS C -172.40 -87.00 -146.93 -164.05 -137.64 . . 0 "[ . 1]"
163 . 3 76 LYS N 3 76 LYS CA 3 76 LYS C 3 77 ARG N 99.10 -161.30 149.63 134.30 168.66 . . 0 "[ . 1]"
164 . 3 84 GLN C 3 85 ASP N 3 85 ASP CA 3 85 ASP C -96.00 -24.00 -70.03 -64.14 -65.53 . . 0 "[ . 1]"
165 . 3 85 ASP N 3 85 ASP CA 3 85 ASP C 3 86 LYS N -68.70 -22.30 -36.75 -37.67 -39.20 . . 0 "[ . 1]"
166 . 3 85 ASP C 3 86 LYS N 3 86 LYS CA 3 86 LYS C -96.00 -24.00 -61.03 -61.45 -63.32 . . 0 "[ . 1]"
167 . 3 86 LYS N 3 86 LYS CA 3 86 LYS C 3 87 THR N -73.70 -17.30 -34.81 -65.71 -13.93 3.37 4 0 "[ . 1]"
168 . 3 94 GLY C 3 95 ILE N 3 95 ILE CA 3 95 ILE C 155.70 -80.10 -124.89 -129.73 -151.87 . . 0 "[ . 1]"
169 . 3 95 ILE N 3 95 ILE CA 3 95 ILE C 3 96 GLY N 94.60 -155.40 146.35 127.86 165.82 . . 0 "[ . 1]"
170 . 3 106 GLU C 3 107 PHE N 3 107 PHE CA 3 107 PHE C -96.00 -24.00 -73.91 -98.21 -49.37 2.21 7 0 "[ . 1]"
171 . 3 107 PHE N 3 107 PHE CA 3 107 PHE C 3 108 PHE N -80.70 9.70 -76.39 -80.52 -72.32 . . 0 "[ . 1]"
172 . 3 108 PHE C 3 109 SER N 3 109 SER CA 3 109 SER C -96.00 -24.00 -34.32 -35.82 -37.88 . . 0 "[ . 1]"
173 . 3 109 SER N 3 109 SER CA 3 109 SER C 3 110 GLN N -68.70 -22.30 -38.22 -41.64 -36.64 . . 0 "[ . 1]"
174 . 3 109 SER C 3 110 GLN N 3 110 GLN CA 3 110 GLN C -96.00 -24.00 -51.48 -60.76 -39.79 . . 0 "[ . 1]"
175 . 3 110 GLN N 3 110 GLN CA 3 110 GLN C 3 111 TRP N -98.70 7.70 -64.88 -90.76 -93.33 1.48 4 0 "[ . 1]"
176 . 3 117 ALA C 3 118 GLN N 3 118 GLN CA 3 118 GLN C 165.70 -90.10 -170.05 168.69 167.26 0.71 10 0 "[ . 1]"
177 . 3 118 GLN N 3 118 GLN CA 3 118 GLN C 3 119 LEU N 104.60 -165.40 143.87 123.56 173.31 . . 0 "[ . 1]"
178 . 3 118 GLN C 3 119 LEU N 3 119 LEU CA 3 119 LEU C -168.60 -97.40 -108.00 -126.58 -95.12 2.28 4 0 "[ . 1]"
179 . 3 119 LEU N 3 119 LEU CA 3 119 LEU C 3 120 MET N 114.90 -168.30 147.90 148.36 144.24 . . 0 "[ . 1]"
180 . 3 119 LEU C 3 120 MET N 3 120 MET CA 3 120 MET C 178.30 -88.50 -93.09 -90.40 -92.01 0.72 2 0 "[ . 1]"
181 . 3 120 MET N 3 120 MET CA 3 120 MET C 3 121 LEU N 109.50 -157.70 169.21 177.30 168.67 . . 0 "[ . 1]"
182 . 3 120 MET C 3 121 LEU N 3 121 LEU CA 3 121 LEU C 172.10 -90.90 -148.44 175.29 -126.62 . . 0 "[ . 1]"
183 . 3 121 LEU N 3 121 LEU CA 3 121 LEU C 3 122 ASP N 88.90 -158.30 177.57 170.28 153.30 3.14 9 0 "[ . 1]"
184 . 3 138 SER C 3 139 ALA N 3 139 ALA CA 3 139 ALA C -109.10 -16.90 -95.05 -109.27 -65.08 0.17 2 0 "[ . 1]"
185 . 3 139 ALA N 3 139 ALA CA 3 139 ALA C 3 140 ASP N -88.80 -9.00 -18.58 -11.73 -12.05 1.01 7 0 "[ . 1]"
186 . 3 146 CYS C 3 147 GLN N 3 147 GLN CA 3 147 GLN C -97.00 -23.00 -49.60 -47.63 -49.45 . . 0 "[ . 1]"
187 . 3 147 GLN N 3 147 GLN CA 3 147 GLN C 3 148 ASN N -68.70 -22.30 -25.70 -32.83 -22.21 0.09 10 0 "[ . 1]"
188 . 3 147 GLN C 3 148 ASN N 3 148 ASN CA 3 148 ASN C -96.00 -24.00 -99.81 -98.98 -99.43 5.50 3 1 "[ + . 1]"
189 . 3 152 ASP C 3 153 PHE N 3 153 PHE CA 3 153 PHE C -168.60 -57.40 -127.47 -169.84 -104.26 1.24 8 0 "[ . 1]"
190 . 3 153 PHE N 3 153 PHE CA 3 153 PHE C 3 154 LYS N 104.90 -178.30 -179.80 -171.46 -174.07 6.84 2 1 "[ + . 1]"
191 . 1 11 A C1' 1 11 A C2' 1 11 A C3' 1 11 A C4' -45.00 -29.00 -27.77 -28.93 -26.94 2.06 1 0 "[ . 1]"
192 . 1 11 A O4' 1 11 A C1' 1 11 A C2' 1 11 A C3' 26.00 42.00 26.34 23.02 30.26 2.98 7 0 "[ . 1]"
193 . 1 11 A C4' 1 11 A O4' 1 11 A C1' 1 11 A C2' -26.00 -10.00 -14.16 -13.47 -15.20 1.42 7 0 "[ . 1]"
194 . 1 11 A C2' 1 11 A C3' 1 11 A C4' 1 11 A O4' 18.00 34.00 20.18 19.90 19.17 1.03 4 0 "[ . 1]"
195 . 1 12 A C1' 1 12 A C2' 1 12 A C3' 1 12 A C4' -52.00 -22.00 -24.10 -21.81 -22.24 0.19 2 0 "[ . 1]"
196 . 1 12 A O4' 1 12 A C1' 1 12 A C2' 1 12 A C3' 19.00 49.00 24.32 17.53 36.07 1.47 5 0 "[ . 1]"
197 . 1 12 A C2' 1 12 A C3' 1 12 A C4' 1 12 A O4' 11.00 41.00 16.04 17.59 15.85 1.00 7 0 "[ . 1]"
198 . 1 12 A C4' 1 12 A O4' 1 12 A C1' 1 12 A C2' -33.00 -3.00 -14.82 -8.11 -11.98 . . 0 "[ . 1]"
199 . 1 13 U C1' 1 13 U C2' 1 13 U C3' 1 13 U C4' -45.00 -29.00 -27.71 -27.65 -27.66 1.42 8 0 "[ . 1]"
200 . 1 13 U O4' 1 13 U C1' 1 13 U C2' 1 13 U C3' 26.00 42.00 26.71 25.86 25.77 0.26 9 0 "[ . 1]"
201 . 1 13 U C4' 1 13 U O4' 1 13 U C1' 1 13 U C2' -26.00 -10.00 -15.00 -19.62 -13.37 . . 0 "[ . 1]"
202 . 1 13 U C2' 1 13 U C3' 1 13 U C4' 1 13 U O4' 18.00 34.00 19.52 17.21 20.50 0.79 7 0 "[ . 1]"
stop_
save_