Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434661 | 2jx9 RC | 15553 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jx9
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 126
_TA_constraint_stats_list.Viol_count 114
_TA_constraint_stats_list.Viol_total 2938.10
_TA_constraint_stats_list.Viol_max 2.99
_TA_constraint_stats_list.Viol_rms 0.24
_TA_constraint_stats_list.Viol_average_all_restraints 0.04
_TA_constraint_stats_list.Viol_average_violations_only 1.03
_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 MET C 1 8 ARG N 1 8 ARG CA 1 8 ARG C -150.00 -50.00 -91.52 -89.11 -90.36 . . 0 "[ . 1 . 2 .]"
2 . 1 8 ARG C 1 9 ARG N 1 9 ARG CA 1 9 ARG C -169.00 -77.00 -147.49 -148.99 -150.58 . . 0 "[ . 1 . 2 .]"
3 . 1 9 ARG C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -164.00 -112.00 -131.41 -128.16 -129.80 . . 0 "[ . 1 . 2 .]"
4 . 1 10 GLU C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -158.00 -74.00 -138.50 -138.75 -138.96 . . 0 "[ . 1 . 2 .]"
5 . 1 11 LEU C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -157.00 -97.00 -137.45 -135.30 -136.65 . . 0 "[ . 1 . 2 .]"
6 . 1 12 ALA C 1 13 CYS N 1 13 CYS CA 1 13 CYS C -166.00 -54.00 -66.45 -65.60 -65.81 . . 0 "[ . 1 . 2 .]"
7 . 1 15 GLY C 1 16 TYR N 1 16 TYR CA 1 16 TYR C -117.00 -65.00 -108.66 -113.12 -104.10 . . 0 "[ . 1 . 2 .]"
8 . 1 16 TYR C 1 17 PRO N 1 17 PRO CA 1 17 PRO C -121.00 -37.00 -69.19 -74.09 -76.16 . . 0 "[ . 1 . 2 .]"
9 . 1 17 PRO C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -173.00 -65.00 -120.00 -125.06 -116.34 . . 0 "[ . 1 . 2 .]"
10 . 1 18 ILE C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -157.00 -73.00 -127.22 -136.00 -120.22 . . 0 "[ . 1 . 2 .]"
11 . 1 20 LEU C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -159.00 -83.00 -148.79 -145.75 -146.43 . . 0 "[ . 1 . 2 .]"
12 . 1 21 ARG C 1 22 CYS N 1 22 CYS CA 1 22 CYS C -151.00 -95.00 -100.41 -101.04 -102.01 . . 0 "[ . 1 . 2 .]"
13 . 1 22 CYS C 1 23 PRO N 1 23 PRO CA 1 23 PRO C -80.00 -48.00 -70.75 -70.07 -70.23 . . 0 "[ . 1 . 2 .]"
14 . 1 26 ASP C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -167.00 -79.00 -127.18 -124.26 -125.50 . . 0 "[ . 1 . 2 .]"
15 . 1 27 VAL C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -130.00 -50.00 -69.06 -72.41 -67.15 . . 0 "[ . 1 . 2 .]"
16 . 1 28 ILE C 1 29 MET N 1 29 MET CA 1 29 MET C -138.00 -46.00 -131.75 -131.24 -131.60 . . 0 "[ . 1 . 2 .]"
17 . 1 29 MET C 1 30 VAL N 1 30 VAL CA 1 30 VAL C -88.00 -56.00 -64.76 -70.41 -61.73 . . 0 "[ . 1 . 2 .]"
18 . 1 30 VAL C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -119.00 -87.00 -102.59 -108.75 -99.33 . . 0 "[ . 1 . 2 .]"
19 . 1 31 GLU C 1 32 ASN N 1 32 ASN CA 1 32 ASN C -178.00 -126.00 -149.35 -152.27 -146.23 . . 0 "[ . 1 . 2 .]"
20 . 1 32 ASN C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -174.00 -118.00 -165.81 -167.68 -167.97 . . 0 "[ . 1 . 2 .]"
21 . 1 33 ALA C 1 34 ASN N 1 34 ASN CA 1 34 ASN C 171.00 -77.00 -149.83 -148.07 -148.74 . . 0 "[ . 1 . 2 .]"
22 . 1 34 ASN C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -167.00 -91.00 -117.03 -114.21 -114.49 . . 0 "[ . 1 . 2 .]"
23 . 1 38 THR C 1 39 ASP N 1 39 ASP CA 1 39 ASP C 171.00 -93.00 -145.95 -145.58 -146.42 . . 0 "[ . 1 . 2 .]"
24 . 1 46 ASP C 1 47 PRO N 1 47 PRO CA 1 47 PRO C -65.00 -45.00 -55.48 -61.17 -50.18 . . 0 "[ . 1 . 2 .]"
25 . 1 47 PRO C 1 48 PHE N 1 48 PHE CA 1 48 PHE C -85.00 -49.00 -63.01 -62.32 -62.45 . . 0 "[ . 1 . 2 .]"
26 . 1 53 VAL C 1 54 GLN N 1 54 GLN CA 1 54 GLN C -144.00 -52.00 -140.74 -138.74 -139.49 . . 0 "[ . 1 . 2 .]"
27 . 1 54 GLN C 1 55 CYS N 1 55 CYS CA 1 55 CYS C 171.00 -57.00 -145.95 -152.62 -142.01 . . 0 "[ . 1 . 2 .]"
28 . 1 55 CYS C 1 56 TYR N 1 56 TYR CA 1 56 TYR C -157.00 -57.00 -132.50 -136.13 -127.16 . . 0 "[ . 1 . 2 .]"
29 . 1 56 TYR C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -147.00 -87.00 -146.29 -148.90 -142.09 1.90 10 0 "[ . 1 . 2 .]"
30 . 1 57 LEU C 1 58 PRO N 1 58 PRO CA 1 58 PRO C -73.00 -45.00 -49.05 -54.34 -46.18 . . 0 "[ . 1 . 2 .]"
31 . 1 58 PRO C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -99.00 -47.00 -56.15 -60.82 -51.65 . . 0 "[ . 1 . 2 .]"
32 . 1 59 ASP C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -68.00 -52.00 -54.75 -57.58 -51.24 0.76 3 0 "[ . 1 . 2 .]"
33 . 1 60 ALA C 1 61 PHE N 1 61 PHE CA 1 61 PHE C -84.00 -52.00 -64.98 -64.14 -64.46 . . 0 "[ . 1 . 2 .]"
34 . 1 61 PHE C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -72.00 -56.00 -65.24 -66.86 -63.24 . . 0 "[ . 1 . 2 .]"
35 . 1 62 LYS C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -86.00 -42.00 -59.86 -58.44 -58.83 . . 0 "[ . 1 . 2 .]"
36 . 1 63 ILE C 1 64 MET N 1 64 MET CA 1 64 MET C -74.00 -54.00 -69.24 -71.72 -66.48 . . 0 "[ . 1 . 2 .]"
37 . 1 64 MET C 1 65 SER N 1 65 SER CA 1 65 SER C -79.00 -55.00 -59.48 -59.59 -59.76 . . 0 "[ . 1 . 2 .]"
38 . 1 65 SER C 1 66 GLN N 1 66 GLN CA 1 66 GLN C -69.00 -53.00 -66.17 -69.84 -64.25 0.84 23 0 "[ . 1 . 2 .]"
39 . 1 66 GLN C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -116.00 -44.00 -76.60 -80.54 -70.78 . . 0 "[ . 1 . 2 .]"
40 . 1 72 THR C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -179.00 -91.00 -150.40 -153.55 -142.88 . . 0 "[ . 1 . 2 .]"
41 . 1 73 GLN C 1 74 CYS N 1 74 CYS CA 1 74 CYS C -156.00 -116.00 -154.58 -157.02 -152.40 1.02 12 0 "[ . 1 . 2 .]"
42 . 1 74 CYS C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -138.00 -78.00 -121.40 -119.56 -120.79 . . 0 "[ . 1 . 2 .]"
43 . 1 75 VAL C 1 76 VAL N 1 76 VAL CA 1 76 VAL C -169.00 -101.00 -139.94 -148.50 -133.44 . . 0 "[ . 1 . 2 .]"
44 . 1 76 VAL C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -109.00 -49.00 -79.53 -79.70 -81.44 . . 0 "[ . 1 . 2 .]"
45 . 1 80 SER C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -87.00 -35.00 -67.97 -70.63 -64.73 . . 0 "[ . 1 . 2 .]"
46 . 1 81 ASP C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -135.00 -51.00 -83.99 -87.66 -80.46 . . 0 "[ . 1 . 2 .]"
47 . 1 82 ALA C 1 83 PHE N 1 83 PHE CA 1 83 PHE C -174.00 -74.00 -144.19 -141.75 -142.87 . . 0 "[ . 1 . 2 .]"
48 . 1 84 PRO C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -144.00 -76.00 -145.06 -146.99 -142.88 2.99 20 0 "[ . 1 . 2 .]"
49 . 1 85 ASP C 1 86 PRO N 1 86 PRO CA 1 86 PRO C -98.00 -38.00 -78.53 -81.34 -84.23 . . 0 "[ . 1 . 2 .]"
50 . 1 87 CYS C 1 88 PRO N 1 88 PRO CA 1 88 PRO C -149.00 -25.00 -56.75 -69.32 -76.55 . . 0 "[ . 1 . 2 .]"
51 . 1 89 GLY C 1 90 THR N 1 90 THR CA 1 90 THR C -126.31 -56.95 -120.91 -125.73 -126.12 0.80 19 0 "[ . 1 . 2 .]"
52 . 1 90 THR C 1 91 TYR N 1 91 TYR CA 1 91 TYR C -134.00 -50.00 -83.06 -86.15 -79.25 . . 0 "[ . 1 . 2 .]"
53 . 1 92 LYS C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -174.00 -126.00 -172.71 -176.34 -167.68 2.34 6 0 "[ . 1 . 2 .]"
54 . 1 93 TYR C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -159.00 -107.00 -131.72 -135.68 -127.43 . . 0 "[ . 1 . 2 .]"
55 . 1 94 LEU C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -142.00 -90.00 -119.99 -124.19 -114.16 . . 0 "[ . 1 . 2 .]"
56 . 1 95 GLU C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -150.00 -106.00 -132.62 -137.21 -127.40 . . 0 "[ . 1 . 2 .]"
57 . 1 96 VAL C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -137.00 -85.00 -108.40 -107.04 -107.48 . . 0 "[ . 1 . 2 .]"
58 . 1 97 GLN C 1 98 TYR N 1 98 TYR CA 1 98 TYR C -174.00 -102.00 -153.40 -155.02 -155.60 . . 0 "[ . 1 . 2 .]"
59 . 1 98 TYR C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -165.00 -73.00 -125.33 -133.23 -113.40 . . 0 "[ . 1 . 2 .]"
60 . 1 99 ASP C 1 100 CYS N 1 100 CYS CA 1 100 CYS C -151.00 -99.00 -110.09 -113.30 -107.66 . . 0 "[ . 1 . 2 .]"
61 . 1 100 CYS C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -165.00 -93.00 -120.61 -118.61 -120.49 . . 0 "[ . 1 . 2 .]"
62 . 1 101 VAL C 1 102 PRO N 1 102 PRO CA 1 102 PRO C -75.00 -55.00 -57.46 -63.48 -53.50 1.50 22 0 "[ . 1 . 2 .]"
63 . 1 104 LYS C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -153.00 -41.00 -92.52 -103.44 -153.45 0.45 1 0 "[ . 1 . 2 .]"
64 . 1 8 ARG N 1 8 ARG CA 1 8 ARG C 1 9 ARG N 79.00 -169.00 148.37 149.90 149.00 . . 0 "[ . 1 . 2 .]"
65 . 1 9 ARG N 1 9 ARG CA 1 9 ARG C 1 10 GLU N 108.00 180.00 136.20 126.68 142.92 . . 0 "[ . 1 . 2 .]"
66 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 LEU N 124.00 176.00 144.40 137.43 149.91 . . 0 "[ . 1 . 2 .]"
67 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 ALA N 116.00 160.00 138.69 132.11 145.04 . . 0 "[ . 1 . 2 .]"
68 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 CYS N 106.00 170.00 140.59 136.61 143.92 . . 0 "[ . 1 . 2 .]"
69 . 1 13 CYS N 1 13 CYS CA 1 13 CYS C 1 14 GLU N 99.00 -165.00 137.33 137.02 136.83 . . 0 "[ . 1 . 2 .]"
70 . 1 16 TYR N 1 16 TYR CA 1 16 TYR C 1 17 PRO N 102.00 174.00 150.36 145.47 156.02 . . 0 "[ . 1 . 2 .]"
71 . 1 17 PRO N 1 17 PRO CA 1 17 PRO C 1 18 ILE N 111.00 155.00 151.70 147.71 155.48 0.48 18 0 "[ . 1 . 2 .]"
72 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 GLU N 109.00 169.00 145.41 139.51 151.09 . . 0 "[ . 1 . 2 .]"
73 . 1 19 GLU N 1 19 GLU CA 1 19 GLU C 1 20 LEU N 104.00 148.00 128.69 124.23 130.89 . . 0 "[ . 1 . 2 .]"
74 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 CYS N 105.00 169.00 133.16 135.05 134.70 . . 0 "[ . 1 . 2 .]"
75 . 1 22 CYS N 1 22 CYS CA 1 22 CYS C 1 23 PRO N 105.00 -179.00 144.82 146.59 145.53 . . 0 "[ . 1 . 2 .]"
76 . 1 23 PRO N 1 23 PRO CA 1 23 PRO C 1 24 GLY N 127.00 175.00 159.88 156.64 155.74 . . 0 "[ . 1 . 2 .]"
77 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 ILE N 131.00 175.00 146.07 142.39 149.08 . . 0 "[ . 1 . 2 .]"
78 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 MET N 94.00 162.00 137.21 136.30 135.79 . . 0 "[ . 1 . 2 .]"
79 . 1 29 MET N 1 29 MET CA 1 29 MET C 1 30 VAL N 99.00 -177.00 100.37 99.10 98.61 0.96 1 0 "[ . 1 . 2 .]"
80 . 1 30 VAL N 1 30 VAL CA 1 30 VAL C 1 31 GLU N 117.00 149.00 124.15 123.06 122.67 . . 0 "[ . 1 . 2 .]"
81 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 ASN N -51.00 -11.00 -49.23 -53.12 -43.73 2.12 5 0 "[ . 1 . 2 .]"
82 . 1 32 ASN N 1 32 ASN CA 1 32 ASN C 1 33 ALA N 121.00 173.00 147.11 142.96 150.80 . . 0 "[ . 1 . 2 .]"
83 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 ASN N 130.00 178.00 153.84 147.49 157.97 . . 0 "[ . 1 . 2 .]"
84 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 TYR N 99.00 175.00 146.85 147.45 146.91 . . 0 "[ . 1 . 2 .]"
85 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 GLY N 108.00 -172.00 118.45 114.53 121.94 . . 0 "[ . 1 . 2 .]"
86 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 ASP N 100.00 -160.00 172.81 -174.82 158.62 . . 0 "[ . 1 . 2 .]"
87 . 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 PHE N -47.00 -27.00 -36.67 -41.99 -32.22 . . 0 "[ . 1 . 2 .]"
88 . 1 48 PHE N 1 48 PHE CA 1 48 PHE C 1 49 GLN N -62.00 10.00 -36.16 -33.32 -33.40 . . 0 "[ . 1 . 2 .]"
89 . 1 54 GLN N 1 54 GLN CA 1 54 GLN C 1 55 CYS N 83.00 167.00 85.67 84.53 84.44 1.24 25 0 "[ . 1 . 2 .]"
90 . 1 55 CYS N 1 55 CYS CA 1 55 CYS C 1 56 TYR N 110.00 170.00 121.36 124.88 123.24 . . 0 "[ . 1 . 2 .]"
91 . 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 LEU N 115.00 159.00 154.25 149.73 157.49 . . 0 "[ . 1 . 2 .]"
92 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 PRO N 71.00 167.00 89.73 93.42 92.61 . . 0 "[ . 1 . 2 .]"
93 . 1 58 PRO N 1 58 PRO CA 1 58 PRO C 1 59 ASP N -50.00 -2.00 -47.43 -51.33 -44.08 1.33 15 0 "[ . 1 . 2 .]"
94 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 ALA N -68.00 28.00 -22.10 -20.22 -20.77 . . 0 "[ . 1 . 2 .]"
95 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 PHE N -58.00 -30.00 -33.73 -32.63 -33.42 1.07 17 0 "[ . 1 . 2 .]"
96 . 1 61 PHE N 1 61 PHE CA 1 61 PHE C 1 62 LYS N -51.00 -27.00 -44.40 -44.16 -44.65 . . 0 "[ . 1 . 2 .]"
97 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 ILE N -52.00 -32.00 -39.81 -43.43 -35.88 . . 0 "[ . 1 . 2 .]"
98 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 MET N -55.00 -31.00 -49.55 -54.01 -44.50 . . 0 "[ . 1 . 2 .]"
99 . 1 64 MET N 1 64 MET CA 1 64 MET C 1 65 SER N -47.00 -23.00 -36.16 -36.45 -37.50 . . 0 "[ . 1 . 2 .]"
100 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 GLN N -56.00 -20.00 -46.00 -49.73 -42.91 . . 0 "[ . 1 . 2 .]"
101 . 1 66 GLN N 1 66 GLN CA 1 66 GLN C 1 67 ARG N -53.00 -29.00 -37.25 -34.67 -35.22 . . 0 "[ . 1 . 2 .]"
102 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 CYS N -52.00 4.00 -33.43 -32.46 -32.64 . . 0 "[ . 1 . 2 .]"
103 . 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 ARG N -60.00 12.00 13.37 10.88 14.93 2.93 12 0 "[ . 1 . 2 .]"
104 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 CYS N 140.00 180.00 155.39 156.99 156.56 . . 0 "[ . 1 . 2 .]"
105 . 1 74 CYS N 1 74 CYS CA 1 74 CYS C 1 75 VAL N 118.00 162.00 139.61 130.18 156.28 . . 0 "[ . 1 . 2 .]"
106 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 VAL N 119.00 155.00 128.55 123.59 135.82 . . 0 "[ . 1 . 2 .]"
107 . 1 76 VAL N 1 76 VAL CA 1 76 VAL C 1 77 VAL N 99.00 179.00 146.30 139.05 152.99 . . 0 "[ . 1 . 2 .]"
108 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 ALA N 111.00 147.00 115.98 116.18 115.74 . . 0 "[ . 1 . 2 .]"
109 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 ALA N -70.00 2.00 1.53 1.67 1.40 2.49 5 0 "[ . 1 . 2 .]"
110 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 PHE N -62.00 22.00 -13.10 -16.30 -7.58 . . 0 "[ . 1 . 2 .]"
111 . 1 83 PHE N 1 83 PHE CA 1 83 PHE C 1 84 PRO N 105.00 -171.00 129.35 125.15 134.49 . . 0 "[ . 1 . 2 .]"
112 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 PRO N 55.00 -165.00 87.80 80.11 97.11 . . 0 "[ . 1 . 2 .]"
113 . 1 88 PRO N 1 88 PRO CA 1 88 PRO C 1 89 GLY N 93.00 169.00 149.19 157.75 155.61 . . 0 "[ . 1 . 2 .]"
114 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 TYR N 105.48 150.28 148.16 147.86 147.73 0.13 15 0 "[ . 1 . 2 .]"
115 . 1 91 TYR N 1 91 TYR CA 1 91 TYR C 1 92 LYS N 102.00 146.00 113.61 115.81 114.48 . . 0 "[ . 1 . 2 .]"
116 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 LEU N 126.00 178.00 174.16 176.49 176.11 0.20 6 0 "[ . 1 . 2 .]"
117 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 GLU N 113.00 161.00 124.52 126.57 125.82 . . 0 "[ . 1 . 2 .]"
118 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 VAL N 111.00 151.00 127.05 127.21 126.79 . . 0 "[ . 1 . 2 .]"
119 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 GLN N 111.00 163.00 125.53 121.02 130.54 . . 0 "[ . 1 . 2 .]"
120 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 TYR N 106.00 162.00 128.87 124.66 132.66 . . 0 "[ . 1 . 2 .]"
121 . 1 98 TYR N 1 98 TYR CA 1 98 TYR C 1 99 ASP N 122.00 -178.00 169.71 166.91 164.42 . . 0 "[ . 1 . 2 .]"
122 . 1 99 ASP N 1 99 ASP CA 1 99 ASP C 1 100 CYS N 109.00 173.00 159.76 157.69 157.14 . . 0 "[ . 1 . 2 .]"
123 . 1 100 CYS N 1 100 CYS CA 1 100 CYS C 1 101 VAL N 108.00 168.00 117.66 108.38 131.23 . . 0 "[ . 1 . 2 .]"
124 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 PRO N 106.00 -174.00 156.62 157.57 156.67 . . 0 "[ . 1 . 2 .]"
125 . 1 102 PRO N 1 102 PRO CA 1 102 PRO C 1 103 TYR N 125.00 157.00 145.49 146.22 145.82 . . 0 "[ . 1 . 2 .]"
126 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 GLU N 87.00 155.00 133.62 126.78 125.27 . . 0 "[ . 1 . 2 .]"
stop_
save_
save_distance_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 30
_TA_constraint_stats_list.Viol_count 43
_TA_constraint_stats_list.Viol_total 1129.09
_TA_constraint_stats_list.Viol_max 2.53
_TA_constraint_stats_list.Viol_rms 0.29
_TA_constraint_stats_list.Viol_average_all_restraints 0.06
_TA_constraint_stats_list.Viol_average_violations_only 1.05
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 3 PRO C 1 4 PHE N 1 4 PHE CA 1 4 PHE C -151.04 -46.86 -86.82 -79.42 -80.37 0.64 23 0 "[ . 1 . 2 .]"
2 . 1 4 PHE C 1 5 GLY N 1 5 GLY CA 1 5 GLY C 37.42 148.32 68.91 53.69 86.03 . . 0 "[ . 1 . 2 .]"
3 . 1 14 GLU C 1 15 GLY N 1 15 GLY CA 1 15 GLY C 56.28 119.88 95.81 92.97 99.73 . . 0 "[ . 1 . 2 .]"
4 . 1 23 PRO C 1 24 GLY N 1 24 GLY CA 1 24 GLY C 42.38 84.78 50.46 49.26 49.21 . . 0 "[ . 1 . 2 .]"
5 . 1 25 SER C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -94.75 -54.75 -77.87 -76.46 -77.31 . . 0 "[ . 1 . 2 .]"
6 . 1 37 ARG C 1 38 THR N 1 38 THR CA 1 38 THR C -144.86 -84.86 -123.48 -126.22 -126.86 . . 0 "[ . 1 . 2 .]"
7 . 1 40 ASP C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -131.71 -51.71 -102.40 -101.67 -102.48 . . 0 "[ . 1 . 2 .]"
8 . 1 41 LYS C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -121.48 -61.48 -110.02 -115.42 -103.89 . . 0 "[ . 1 . 2 .]"
9 . 1 44 ASP C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -172.85 -112.85 -123.88 -120.47 -129.95 1.82 7 0 "[ . 1 . 2 .]"
10 . 1 48 PHE C 1 49 GLN N 1 49 GLN CA 1 49 GLN C -117.39 -57.39 -86.24 -85.01 -85.08 . . 0 "[ . 1 . 2 .]"
11 . 1 49 GLN C 1 50 MET N 1 50 MET CA 1 50 MET C -134.40 -54.40 -107.17 -121.85 -97.72 . . 0 "[ . 1 . 2 .]"
12 . 1 67 ARG C 1 68 CYS N 1 68 CYS CA 1 68 CYS C -112.37 -92.37 -112.20 -111.81 -112.03 1.51 5 0 "[ . 1 . 2 .]"
13 . 1 71 ARG C 1 72 THR N 1 72 THR CA 1 72 THR C -85.77 -65.77 -70.91 -68.77 -69.45 . . 0 "[ . 1 . 2 .]"
14 . 1 77 VAL C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -135.27 -55.27 -70.88 -71.24 -71.60 . . 0 "[ . 1 . 2 .]"
15 . 1 83 PHE C 1 84 PRO N 1 84 PRO CA 1 84 PRO C -101.04 -20.20 -52.07 -58.86 -48.88 . . 0 "[ . 1 . 2 .]"
16 . 1 83 PHE C 1 84 PRO N 1 84 PRO CA 1 84 PRO C -101.04 -20.20 -52.07 -58.86 -48.88 . . 0 "[ . 1 . 2 .]"
17 . 1 88 PRO C 1 89 GLY N 1 89 GLY CA 1 89 GLY C 44.91 129.71 84.42 87.10 84.51 . . 0 "[ . 1 . 2 .]"
18 . 1 88 PRO C 1 89 GLY N 1 89 GLY CA 1 89 GLY C 44.91 129.71 84.42 87.10 84.51 . . 0 "[ . 1 . 2 .]"
19 . 1 4 PHE N 1 4 PHE CA 1 4 PHE C 1 5 GLY N -65.77 41.01 -17.71 -16.60 -20.12 . . 0 "[ . 1 . 2 .]"
20 . 1 5 GLY N 1 5 GLY CA 1 5 GLY C 1 6 LEU N -67.85 43.77 -16.24 -69.51 43.64 1.66 13 0 "[ . 1 . 2 .]"
21 . 1 15 GLY N 1 15 GLY CA 1 15 GLY C 1 16 TYR N -48.85 16.29 -15.19 -13.28 -14.44 . . 0 "[ . 1 . 2 .]"
22 . 1 24 GLY N 1 24 GLY CA 1 24 GLY C 1 25 SER N -148.55 -103.77 -130.62 -121.26 -126.10 . . 0 "[ . 1 . 2 .]"
23 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 VAL N 124.18 168.18 167.14 167.30 165.77 2.53 15 0 "[ . 1 . 2 .]"
24 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 ASP N -18.48 45.52 7.78 5.79 4.82 . . 0 "[ . 1 . 2 .]"
25 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 ILE N -44.52 39.48 4.85 -0.46 10.86 . . 0 "[ . 1 . 2 .]"
26 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 ASP N 132.82 -163.18 -164.79 -172.94 -160.98 2.20 25 0 "[ . 1 . 2 .]"
27 . 1 49 GLN N 1 49 GLN CA 1 49 GLN C 1 50 MET N -35.39 28.61 -8.50 -11.79 -13.43 . . 0 "[ . 1 . 2 .]"
28 . 1 68 CYS N 1 68 CYS CA 1 68 CYS C 1 69 ASN N -21.75 0.25 -16.85 -21.50 -10.10 . . 0 "[ . 1 . 2 .]"
29 . 1 72 THR N 1 72 THR CA 1 72 THR C 1 73 GLN N -38.16 -16.16 -32.04 -33.21 -33.39 . . 0 "[ . 1 . 2 .]"
30 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 GLY N -41.29 42.71 38.26 40.94 39.96 . . 0 "[ . 1 . 2 .]"
stop_
save_
save_distance_constraint_statistics_3
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 71
_TA_constraint_stats_list.Viol_count 148
_TA_constraint_stats_list.Viol_total 5009.23
_TA_constraint_stats_list.Viol_max 4.27
_TA_constraint_stats_list.Viol_rms 0.46
_TA_constraint_stats_list.Viol_average_all_restraints 0.11
_TA_constraint_stats_list.Viol_average_violations_only 1.35
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 8 ARG N 1 8 ARG CA 1 8 ARG CB 1 8 ARG CG -80.00 -40.00 -62.96 -61.38 -62.63 . . 0 "[ . 1 . 2 .]"
2 . 1 10 GLU N 1 10 GLU CA 1 10 GLU CB 1 10 GLU CG -80.00 -40.00 -69.08 -66.52 -67.05 . . 0 "[ . 1 . 2 .]"
3 . 1 11 LEU N 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 160.00 -160.00 -162.19 -167.34 -158.93 1.07 18 0 "[ . 1 . 2 .]"
4 . 1 13 CYS N 1 13 CYS CA 1 13 CYS CB 1 13 CYS SG -80.00 -40.00 -53.19 -63.24 -41.96 . . 0 "[ . 1 . 2 .]"
5 . 1 16 TYR N 1 16 TYR CA 1 16 TYR CB 1 16 TYR CG -80.00 -40.00 -63.99 -81.08 -39.66 1.08 10 0 "[ . 1 . 2 .]"
6 . 1 19 GLU N 1 19 GLU CA 1 19 GLU CB 1 19 GLU CG 160.00 -160.00 -173.50 -171.21 -171.66 . . 0 "[ . 1 . 2 .]"
7 . 1 20 LEU N 1 20 LEU CA 1 20 LEU CB 1 20 LEU CG -80.00 -40.00 -50.97 -56.53 -46.29 . . 0 "[ . 1 . 2 .]"
8 . 1 21 ARG N 1 21 ARG CA 1 21 ARG CB 1 21 ARG CG -80.00 -40.00 -63.74 -67.91 -56.38 . . 0 "[ . 1 . 2 .]"
9 . 1 22 CYS N 1 22 CYS CA 1 22 CYS CB 1 22 CYS SG -85.00 -35.00 -86.31 -84.69 -84.91 2.98 19 0 "[ . 1 . 2 .]"
10 . 1 25 SER N 1 25 SER CA 1 25 SER CB 1 25 SER OG 40.00 80.00 65.42 69.79 68.43 0.76 21 0 "[ . 1 . 2 .]"
11 . 1 26 ASP N 1 26 ASP CA 1 26 ASP CB 1 26 ASP CG -80.00 -40.00 -66.08 -76.63 -60.39 . . 0 "[ . 1 . 2 .]"
12 . 1 29 MET N 1 29 MET CA 1 29 MET CB 1 29 MET CG 35.00 85.00 66.46 34.81 88.71 3.71 1 0 "[ . 1 . 2 .]"
13 . 1 31 GLU N 1 31 GLU CA 1 31 GLU CB 1 31 GLU CG -80.00 -40.00 -63.45 -70.92 -54.70 . . 0 "[ . 1 . 2 .]"
14 . 1 32 ASN N 1 32 ASN CA 1 32 ASN CB 1 32 ASN CG -90.00 -30.00 -49.06 -57.06 -35.80 . . 0 "[ . 1 . 2 .]"
15 . 1 34 ASN N 1 34 ASN CA 1 34 ASN CB 1 34 ASN CG 160.00 -160.00 -174.50 -175.81 -176.24 . . 0 "[ . 1 . 2 .]"
16 . 1 35 TYR N 1 35 TYR CA 1 35 TYR CB 1 35 TYR CG 160.00 -160.00 175.34 171.84 -178.69 . . 0 "[ . 1 . 2 .]"
17 . 1 37 ARG N 1 37 ARG CA 1 37 ARG CB 1 37 ARG CG 160.00 -160.00 167.59 158.77 177.86 1.23 23 0 "[ . 1 . 2 .]"
18 . 1 39 ASP N 1 39 ASP CA 1 39 ASP CB 1 39 ASP CG 160.00 -160.00 -164.85 -163.40 -165.33 1.54 5 0 "[ . 1 . 2 .]"
19 . 1 40 ASP N 1 40 ASP CA 1 40 ASP CB 1 40 ASP CG 40.00 80.00 65.70 67.10 66.41 . . 0 "[ . 1 . 2 .]"
20 . 1 41 LYS N 1 41 LYS CA 1 41 LYS CB 1 41 LYS CG -80.00 -40.00 -59.82 -57.75 -59.34 . . 0 "[ . 1 . 2 .]"
21 . 1 43 CYS N 1 43 CYS CA 1 43 CYS CB 1 43 CYS SG -80.00 -40.00 -65.27 -60.34 -61.82 0.95 22 0 "[ . 1 . 2 .]"
22 . 1 46 ASP N 1 46 ASP CA 1 46 ASP CB 1 46 ASP CG 35.00 85.00 35.23 32.58 39.42 2.42 12 0 "[ . 1 . 2 .]"
23 . 1 48 PHE N 1 48 PHE CA 1 48 PHE CB 1 48 PHE CG -80.00 -40.00 -66.20 -75.69 -47.35 . . 0 "[ . 1 . 2 .]"
24 . 1 49 GLN N 1 49 GLN CA 1 49 GLN CB 1 49 GLN CG -80.00 -40.00 -59.42 -64.57 -54.08 . . 0 "[ . 1 . 2 .]"
25 . 1 50 MET N 1 50 MET CA 1 50 MET CB 1 50 MET CG -80.00 -40.00 -68.43 -66.89 -67.54 . . 0 "[ . 1 . 2 .]"
26 . 1 51 GLU N 1 51 GLU CA 1 51 GLU CB 1 51 GLU CG -80.00 -40.00 -79.52 -79.42 -80.20 4.27 8 0 "[ . 1 . 2 .]"
27 . 1 52 ASN N 1 52 ASN CA 1 52 ASN CB 1 52 ASN CG 160.00 -160.00 -170.23 -166.57 -168.21 . . 0 "[ . 1 . 2 .]"
28 . 1 54 GLN N 1 54 GLN CA 1 54 GLN CB 1 54 GLN CG -80.00 -40.00 -64.94 -62.55 -63.25 . . 0 "[ . 1 . 2 .]"
29 . 1 55 CYS N 1 55 CYS CA 1 55 CYS CB 1 55 CYS SG 160.00 -160.00 172.45 178.42 176.34 . . 0 "[ . 1 . 2 .]"
30 . 1 56 TYR N 1 56 TYR CA 1 56 TYR CB 1 56 TYR CG -80.00 -40.00 -60.72 -69.19 -49.65 . . 0 "[ . 1 . 2 .]"
31 . 1 57 LEU N 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG 160.00 -160.00 -178.60 178.18 -172.48 . . 0 "[ . 1 . 2 .]"
32 . 1 59 ASP N 1 59 ASP CA 1 59 ASP CB 1 59 ASP CG -80.00 -40.00 -67.62 -76.23 -59.31 . . 0 "[ . 1 . 2 .]"
33 . 1 62 LYS N 1 62 LYS CA 1 62 LYS CB 1 62 LYS CG 30.00 90.00 89.88 90.34 89.35 3.97 23 0 "[ . 1 . 2 .]"
34 . 1 64 MET N 1 64 MET CA 1 64 MET CB 1 64 MET CG -80.00 -40.00 -63.89 -71.05 -58.90 . . 0 "[ . 1 . 2 .]"
35 . 1 65 SER N 1 65 SER CA 1 65 SER CB 1 65 SER OG -80.00 -40.00 -59.25 -54.21 -55.46 . . 0 "[ . 1 . 2 .]"
36 . 1 66 GLN N 1 66 GLN CA 1 66 GLN CB 1 66 GLN CG -85.00 -35.00 -67.41 -78.58 -62.18 . . 0 "[ . 1 . 2 .]"
37 . 1 67 ARG N 1 67 ARG CA 1 67 ARG CB 1 67 ARG CG -80.00 -40.00 -67.07 -73.79 -55.78 . . 0 "[ . 1 . 2 .]"
38 . 1 68 CYS N 1 68 CYS CA 1 68 CYS CB 1 68 CYS SG -80.00 -40.00 -49.18 -62.57 -39.44 0.56 5 0 "[ . 1 . 2 .]"
39 . 1 69 ASN N 1 69 ASN CA 1 69 ASN CB 1 69 ASN CG -80.00 -40.00 -74.33 -72.64 -74.41 . . 0 "[ . 1 . 2 .]"
40 . 1 71 ARG N 1 71 ARG CA 1 71 ARG CB 1 71 ARG CG -80.00 -40.00 -71.11 -80.04 -66.22 0.04 11 0 "[ . 1 . 2 .]"
41 . 1 81 ASP N 1 81 ASP CA 1 81 ASP CB 1 81 ASP CG -80.00 -40.00 -65.10 -66.20 -66.81 . . 0 "[ . 1 . 2 .]"
42 . 1 83 PHE N 1 83 PHE CA 1 83 PHE CB 1 83 PHE CG -80.00 -40.00 -76.79 -73.21 -74.74 1.93 5 0 "[ . 1 . 2 .]"
43 . 1 85 ASP N 1 85 ASP CA 1 85 ASP CB 1 85 ASP CG 160.00 -160.00 -161.89 -161.78 -163.32 2.83 17 0 "[ . 1 . 2 .]"
44 . 1 87 CYS N 1 87 CYS CA 1 87 CYS CB 1 87 CYS SG 40.00 80.00 39.52 40.38 39.73 3.60 16 0 "[ . 1 . 2 .]"
45 . 1 91 TYR N 1 91 TYR CA 1 91 TYR CB 1 91 TYR CG 160.00 -160.00 -164.49 -169.83 -158.66 1.34 24 0 "[ . 1 . 2 .]"
46 . 1 92 LYS N 1 92 LYS CA 1 92 LYS CB 1 92 LYS CG -80.00 -40.00 -54.11 -62.91 -70.31 . . 0 "[ . 1 . 2 .]"
47 . 1 93 TYR N 1 93 TYR CA 1 93 TYR CB 1 93 TYR CG 40.00 80.00 65.91 58.31 72.17 . . 0 "[ . 1 . 2 .]"
48 . 1 95 GLU N 1 95 GLU CA 1 95 GLU CB 1 95 GLU CG 160.00 -160.00 -175.35 -161.26 -166.70 . . 0 "[ . 1 . 2 .]"
49 . 1 97 GLN N 1 97 GLN CA 1 97 GLN CB 1 97 GLN CG -80.00 -40.00 -62.94 -72.73 -51.82 . . 0 "[ . 1 . 2 .]"
50 . 1 98 TYR N 1 98 TYR CA 1 98 TYR CB 1 98 TYR CG 40.00 80.00 71.63 61.90 77.89 . . 0 "[ . 1 . 2 .]"
51 . 1 99 ASP N 1 99 ASP CA 1 99 ASP CB 1 99 ASP CG -80.00 -40.00 -64.84 -69.41 -71.02 0.04 13 0 "[ . 1 . 2 .]"
52 . 1 100 CYS N 1 100 CYS CA 1 100 CYS CB 1 100 CYS SG -80.00 -40.00 -65.69 -65.18 -65.91 . . 0 "[ . 1 . 2 .]"
53 . 1 103 TYR N 1 103 TYR CA 1 103 TYR CB 1 103 TYR CG 160.00 -160.00 -175.52 170.55 -157.38 2.62 25 0 "[ . 1 . 2 .]"
54 . 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 -80.00 -40.00 -61.67 -60.03 -61.77 . . 0 "[ . 1 . 2 .]"
55 . 1 30 VAL N 1 30 VAL CA 1 30 VAL CB 1 30 VAL CG1 160.00 -160.00 -174.16 172.94 -165.91 . . 0 "[ . 1 . 2 .]"
56 . 1 53 VAL N 1 53 VAL CA 1 53 VAL CB 1 53 VAL CG1 -80.00 -40.00 -58.26 -63.91 -53.33 . . 0 "[ . 1 . 2 .]"
57 . 1 75 VAL N 1 75 VAL CA 1 75 VAL CB 1 75 VAL CG1 160.00 -160.00 -176.28 -178.43 -179.45 . . 0 "[ . 1 . 2 .]"
58 . 1 76 VAL N 1 76 VAL CA 1 76 VAL CB 1 76 VAL CG1 160.00 -160.00 -177.65 168.25 -170.93 . . 0 "[ . 1 . 2 .]"
59 . 1 77 VAL N 1 77 VAL CA 1 77 VAL CB 1 77 VAL CG1 160.00 -160.00 179.63 177.79 177.14 . . 0 "[ . 1 . 2 .]"
60 . 1 96 VAL N 1 96 VAL CA 1 96 VAL CB 1 96 VAL CG1 160.00 -160.00 -176.35 -168.23 -170.77 . . 0 "[ . 1 . 2 .]"
61 . 1 101 VAL N 1 101 VAL CA 1 101 VAL CB 1 101 VAL CG1 -80.00 -40.00 -64.31 -68.73 -71.24 1.16 21 0 "[ . 1 . 2 .]"
62 . 1 18 ILE N 1 18 ILE CA 1 18 ILE CB 1 18 ILE CG1 160.00 -160.00 -170.72 -168.86 -170.38 . . 0 "[ . 1 . 2 .]"
63 . 1 28 ILE N 1 28 ILE CA 1 28 ILE CB 1 28 ILE CG1 -80.00 -40.00 -60.69 -62.53 -62.85 . . 0 "[ . 1 . 2 .]"
64 . 1 63 ILE N 1 63 ILE CA 1 63 ILE CB 1 63 ILE CG1 -80.00 -40.00 -61.35 -69.65 -53.70 . . 0 "[ . 1 . 2 .]"
65 . 1 38 THR N 1 38 THR CA 1 38 THR CB 1 38 THR OG1 40.00 80.00 74.05 65.05 81.02 1.02 23 0 "[ . 1 . 2 .]"
66 . 1 18 ILE CA 1 18 ILE CB 1 18 ILE CG1 1 18 ILE CD1 160.00 -160.00 172.74 162.74 -168.81 . . 0 "[ . 1 . 2 .]"
67 . 1 28 ILE CA 1 28 ILE CB 1 28 ILE CG1 1 28 ILE CD1 160.00 -160.00 173.71 176.30 174.82 . . 0 "[ . 1 . 2 .]"
68 . 1 63 ILE CA 1 63 ILE CB 1 63 ILE CG1 1 63 ILE CD1 160.00 -160.00 176.50 178.28 177.35 . . 0 "[ . 1 . 2 .]"
69 . 1 11 LEU CA 1 11 LEU CB 1 11 LEU CG 1 11 LEU CD1 160.00 -160.00 161.16 163.12 162.04 2.56 12 0 "[ . 1 . 2 .]"
70 . 1 57 LEU CA 1 57 LEU CB 1 57 LEU CG 1 57 LEU CD2 160.00 -160.00 -167.44 -170.36 -171.61 3.10 18 0 "[ . 1 . 2 .]"
71 . 1 94 LEU CA 1 94 LEU CB 1 94 LEU CG 1 94 LEU CD2 160.00 -160.00 -169.92 178.07 -161.86 . . 0 "[ . 1 . 2 .]"
stop_
save_