NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574150 |
2m1b   |
17014 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m1b
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 188
_TA_constraint_stats_list.Viol_count 395
_TA_constraint_stats_list.Viol_total 3390.08
_TA_constraint_stats_list.Viol_max 36.44
_TA_constraint_stats_list.Viol_rms 0.54
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 0.34
_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 4 PRO C 1 5 GLU N 1 5 GLU CA 1 5 GLU C -150.00 -30.00 -120.54 -110.44 -122.04 0.39 18 0 "[ . 1 . 2 .]"
2 . 1 5 GLU C 1 6 SER N 1 6 SER CA 1 6 SER C -170.00 -70.00 -125.00 -145.85 -160.38 0.80 19 0 "[ . 1 . 2 .]"
3 . 1 6 SER C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -170.00 -70.00 -130.81 -130.36 -132.28 0.22 22 0 "[ . 1 . 2 .]"
4 . 1 7 ILE C 1 8 ARG N 1 8 ARG CA 1 8 ARG C -170.00 -70.00 -105.71 -170.03 -76.34 0.03 3 0 "[ . 1 . 2 .]"
5 . 1 8 ARG C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -170.00 -70.00 -110.32 -153.18 -85.68 . . 0 "[ . 1 . 2 .]"
6 . 1 10 GLY C 1 11 PRO N 1 11 PRO CA 1 11 PRO C -130.00 -10.00 -71.08 -75.38 -80.19 . . 0 "[ . 1 . 2 .]"
7 . 1 11 PRO C 1 12 ASN N 1 12 ASN CA 1 12 ASN C -170.00 -70.00 -111.55 -122.62 -150.85 0.20 7 0 "[ . 1 . 2 .]"
8 . 1 12 ASN C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -170.00 -70.00 -117.76 -167.74 -70.44 . . 0 "[ . 1 . 2 .]"
9 . 1 13 VAL C 1 14 PHE N 1 14 PHE CA 1 14 PHE C -170.00 -70.00 -118.08 -152.03 -80.37 . . 0 "[ . 1 . 2 .]"
10 . 1 14 PHE C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -170.00 -70.00 -96.67 -131.89 -73.73 . . 0 "[ . 1 . 2 .]"
11 . 1 15 TYR C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -120.00 0.00 -67.06 -69.89 -72.80 . . 0 "[ . 1 . 2 .]"
12 . 1 16 VAL C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -120.00 0.00 -109.46 -115.16 -116.74 0.06 1 0 "[ . 1 . 2 .]"
13 . 1 17 LEU C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -160.00 -40.00 -92.06 -99.04 -101.18 . . 0 "[ . 1 . 2 .]"
14 . 1 18 LYS C 1 19 LEU N 1 19 LEU CA 1 19 LEU C 0.00 120.00 64.65 58.65 74.88 . . 0 "[ . 1 . 2 .]"
15 . 1 19 LEU C 1 20 THR N 1 20 THR CA 1 20 THR C -170.00 -70.00 -138.89 -164.15 -121.44 . . 0 "[ . 1 . 2 .]"
16 . 1 20 THR C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -170.00 -70.00 -86.33 -96.66 -99.29 0.04 23 0 "[ . 1 . 2 .]"
17 . 1 21 VAL C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -170.00 -70.00 -76.05 -83.15 -87.46 0.24 22 0 "[ . 1 . 2 .]"
18 . 1 22 GLU C 1 23 THR N 1 23 THR CA 1 23 THR C -170.00 -70.00 -98.93 -93.35 -98.18 0.11 9 0 "[ . 1 . 2 .]"
19 . 1 23 THR C 1 24 PRO N 1 24 PRO CA 1 24 PRO C -120.00 0.00 -64.69 -79.29 -43.75 . . 0 "[ . 1 . 2 .]"
20 . 1 24 PRO C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -150.00 -30.00 -97.65 -140.85 -69.50 . . 0 "[ . 1 . 2 .]"
21 . 1 26 GLY C 1 27 SER N 1 27 SER CA 1 27 SER C -170.00 -70.00 -144.49 -165.31 -70.02 . . 0 "[ . 1 . 2 .]"
22 . 1 27 SER C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -170.00 -70.00 -135.62 -152.00 -114.29 . . 0 "[ . 1 . 2 .]"
23 . 1 28 VAL C 1 29 HIS N 1 29 HIS CA 1 29 HIS C -170.00 -70.00 -96.78 -77.61 -83.83 0.09 13 0 "[ . 1 . 2 .]"
24 . 1 29 HIS C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -170.00 -70.00 -160.51 -166.02 -167.17 0.21 5 0 "[ . 1 . 2 .]"
25 . 1 30 LEU C 1 31 THR N 1 31 THR CA 1 31 THR C -170.00 -70.00 -76.68 -87.18 -69.40 0.60 22 0 "[ . 1 . 2 .]"
26 . 1 31 THR C 1 32 PRO N 1 32 PRO CA 1 32 PRO C -90.00 -30.00 -66.76 -78.29 -47.38 . . 0 "[ . 1 . 2 .]"
27 . 1 32 PRO C 1 33 SER N 1 33 SER CA 1 33 SER C -90.00 -30.00 -77.68 -79.81 -80.76 . . 0 "[ . 1 . 2 .]"
28 . 1 33 SER C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -90.00 -30.00 -83.85 -85.27 -86.08 0.36 24 0 "[ . 1 . 2 .]"
29 . 1 34 GLU C 1 35 SER N 1 35 SER CA 1 35 SER C -90.00 -30.00 -76.95 -73.98 -75.10 . . 0 "[ . 1 . 2 .]"
30 . 1 36 GLY C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -90.00 -30.00 -67.96 -63.28 -64.64 . . 0 "[ . 1 . 2 .]"
31 . 1 37 ILE C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -90.00 -30.00 -72.77 -79.60 -65.30 . . 0 "[ . 1 . 2 .]"
32 . 1 38 LEU C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -90.00 -30.00 -74.19 -82.90 -62.44 . . 0 "[ . 1 . 2 .]"
33 . 1 39 LYS C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -90.00 -30.00 -75.73 -79.17 -79.69 . . 0 "[ . 1 . 2 .]"
34 . 1 40 ARG C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -90.00 -30.00 -79.56 -77.91 -78.78 . . 0 "[ . 1 . 2 .]"
35 . 1 41 LEU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -90.00 -30.00 -74.96 -81.50 -67.76 . . 0 "[ . 1 . 2 .]"
36 . 1 42 LEU C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -90.00 -30.00 -67.29 -77.76 -59.95 . . 0 "[ . 1 . 2 .]"
37 . 1 43 ILE C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -160.00 -40.00 -95.02 -102.63 -85.49 . . 0 "[ . 1 . 2 .]"
38 . 1 44 ASN C 1 45 LYS N 1 44 ASN CA 1 45 LYS C -120.00 0.00 -33.48 -33.81 -35.09 . . 0 "[ . 1 . 2 .]"
39 . 1 46 GLY C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -170.00 -70.00 -149.67 -154.57 -156.32 0.30 15 0 "[ . 1 . 2 .]"
40 . 1 47 GLN C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -170.00 -70.00 -79.88 -85.79 -93.22 0.23 17 0 "[ . 1 . 2 .]"
41 . 1 48 LEU C 1 49 CYS N 1 49 CYS CA 1 49 CYS C -170.00 -70.00 -124.34 -164.06 -71.86 . . 0 "[ . 1 . 2 .]"
42 . 1 49 CYS C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -140.00 -20.00 -76.64 -53.47 -106.79 . . 0 "[ . 1 . 2 .]"
43 . 1 50 LEU C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -90.00 -30.00 -61.47 -71.83 -82.71 0.06 23 0 "[ . 1 . 2 .]"
44 . 1 51 ARG C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -90.00 -30.00 -63.02 -88.96 -44.69 . . 0 "[ . 1 . 2 .]"
45 . 1 52 LYS C 1 53 HIS N 1 53 HIS CA 1 53 HIS C -90.00 -30.00 -76.90 -54.50 -59.73 1.04 4 0 "[ . 1 . 2 .]"
46 . 1 53 HIS C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -90.00 -30.00 -69.68 -56.85 -60.60 0.48 19 0 "[ . 1 . 2 .]"
47 . 1 54 LEU C 1 55 LEU N 1 55 LEU CA 1 55 LEU C -90.00 -30.00 -70.61 -58.07 -59.01 . . 0 "[ . 1 . 2 .]"
48 . 1 55 LEU C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -90.00 -30.00 -81.68 -90.51 -63.80 0.51 25 0 "[ . 1 . 2 .]"
49 . 1 56 GLU C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -90.00 -30.00 -87.67 -90.07 -90.16 0.59 16 0 "[ . 1 . 2 .]"
50 . 1 57 GLU C 1 58 ILE N 1 68 ARG CA 1 58 ILE C -140.00 -20.00 -21.56 -46.25 16.44 36.44 5 1 "[ + 1 . 2 .]"
51 . 1 67 ALA C 1 68 ARG N 1 68 ARG CA 1 68 ARG C -160.00 -40.00 -116.49 -161.17 -62.48 1.17 15 0 "[ . 1 . 2 .]"
52 . 1 68 ARG C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -160.00 -40.00 -126.87 -148.17 -150.70 0.98 16 0 "[ . 1 . 2 .]"
53 . 1 69 ASN C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -90.00 -30.00 -77.79 -88.06 -89.97 0.29 25 0 "[ . 1 . 2 .]"
54 . 1 70 VAL C 1 71 ASP N 1 71 ASP CA 1 71 ASP C -90.00 -30.00 -61.63 -53.58 -57.01 . . 0 "[ . 1 . 2 .]"
55 . 1 71 ASP C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -90.00 -30.00 -63.82 -69.93 -72.87 . . 0 "[ . 1 . 2 .]"
56 . 1 72 VAL C 1 73 HIS N 1 73 HIS CA 1 73 HIS C -90.00 -30.00 -73.98 -75.81 -78.67 . . 0 "[ . 1 . 2 .]"
57 . 1 73 HIS C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -90.00 -30.00 -68.25 -70.91 -72.16 . . 0 "[ . 1 . 2 .]"
58 . 1 74 ILE C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -90.00 -30.00 -71.05 -70.42 -70.57 . . 0 "[ . 1 . 2 .]"
59 . 1 75 ALA C 1 76 SER N 1 76 SER CA 1 76 SER C -90.00 -30.00 -70.12 -66.35 -68.53 . . 0 "[ . 1 . 2 .]"
60 . 1 76 SER C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -90.00 -30.00 -66.16 -70.66 -61.34 . . 0 "[ . 1 . 2 .]"
61 . 1 77 LEU C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -90.00 -30.00 -59.09 -56.96 -57.50 . . 0 "[ . 1 . 2 .]"
62 . 1 78 ARG C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -90.00 -30.00 -85.73 -90.85 -67.25 0.85 10 0 "[ . 1 . 2 .]"
63 . 1 79 LYS C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -90.00 -30.00 -77.01 -72.98 -76.33 0.13 9 0 "[ . 1 . 2 .]"
64 . 1 80 LYS C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -150.00 -30.00 -68.19 -96.98 -50.74 . . 0 "[ . 1 . 2 .]"
65 . 1 82 GLY C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -90.00 -30.00 -66.17 -64.64 -66.77 0.15 21 0 "[ . 1 . 2 .]"
66 . 1 83 ALA C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -90.00 -30.00 -76.44 -90.05 -52.12 0.05 10 0 "[ . 1 . 2 .]"
67 . 1 84 TYR C 1 85 GLY N 1 85 GLY CA 1 85 GLY C -90.00 -30.00 -61.22 -63.37 -63.91 . . 0 "[ . 1 . 2 .]"
68 . 1 85 GLY C 1 86 SER N 1 86 SER CA 1 86 SER C -90.00 -30.00 -72.57 -71.56 -73.27 0.10 20 0 "[ . 1 . 2 .]"
69 . 1 86 SER C 1 87 ARG N 1 87 ARG CA 1 87 ARG C -150.00 -30.00 -49.82 -52.45 -52.64 . . 0 "[ . 1 . 2 .]"
70 . 1 87 ARG C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -150.00 -30.00 -66.31 -60.80 -63.54 . . 0 "[ . 1 . 2 .]"
71 . 1 88 ILE C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -170.00 -70.00 -85.13 -95.56 -97.52 0.23 12 0 "[ . 1 . 2 .]"
72 . 1 89 VAL C 1 90 THR N 1 90 THR CA 1 90 THR C -170.00 -70.00 -110.72 -146.00 -80.32 . . 0 "[ . 1 . 2 .]"
73 . 1 90 THR C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -170.00 -70.00 -87.83 -72.35 -74.76 0.27 9 0 "[ . 1 . 2 .]"
74 . 1 91 LEU C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -130.00 -10.00 -78.13 -100.39 -68.68 . . 0 "[ . 1 . 2 .]"
75 . 1 93 GLY C 1 94 VAL N 1 94 VAL CA 1 94 VAL C -160.00 -40.00 -101.13 -93.72 -94.70 . . 0 "[ . 1 . 2 .]"
76 . 1 95 GLY C 1 96 TYR N 1 96 TYR CA 1 96 TYR C -170.00 -70.00 -102.86 -127.07 -69.65 0.35 13 0 "[ . 1 . 2 .]"
77 . 1 96 TYR C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -170.00 -70.00 -118.74 -114.75 -118.00 . . 0 "[ . 1 . 2 .]"
78 . 1 97 LEU C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -170.00 -70.00 -85.55 -116.56 -69.51 0.49 4 0 "[ . 1 . 2 .]"
79 . 1 98 PHE C 1 99 SER N 1 99 SER CA 1 99 SER C -160.00 -40.00 -72.74 -148.56 -38.71 1.29 23 0 "[ . 1 . 2 .]"
80 . 1 99 SER C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -140.00 -20.00 -108.81 -140.33 -53.05 0.33 13 0 "[ . 1 . 2 .]"
81 . 1 100 ASP C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -160.00 -40.00 -126.07 -160.60 -39.69 0.60 8 0 "[ . 1 . 2 .]"
82 . 1 101 ASP C 1 102 GLY N 1 102 GLY CA 1 102 GLY C 20.00 140.00 115.61 29.88 140.91 0.91 20 0 "[ . 1 . 2 .]"
83 . 1 102 GLY C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -130.00 -10.00 -83.72 -130.11 -59.53 0.11 9 0 "[ . 1 . 2 .]"
84 . 1 103 ASP C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -130.00 -10.00 -75.61 -130.17 -56.88 0.17 3 0 "[ . 1 . 2 .]"
85 . 1 104 LYS C 1 105 LYS N 1 105 LYS CA 1 105 LYS C -150.00 -30.00 -97.65 -92.73 -140.15 0.49 16 0 "[ . 1 . 2 .]"
86 . 1 105 LYS C 1 106 PHE N 1 106 PHE CA 1 106 PHE C -140.00 -20.00 -73.68 -69.14 -72.74 0.21 11 0 "[ . 1 . 2 .]"
87 . 1 106 PHE C 1 107 SER N 1 107 SER CA 1 107 SER C -150.00 -30.00 -76.48 -150.21 -59.06 0.21 14 0 "[ . 1 . 2 .]"
88 . 1 107 SER C 1 108 GLN N 1 108 GLN CA 1 108 GLN C -130.00 -10.00 -70.44 -130.08 -60.18 0.08 10 0 "[ . 1 . 2 .]"
89 . 1 108 GLN C 1 109 GLN N 1 109 GLN CA 1 109 GLN C -140.00 -20.00 -66.39 -62.40 -63.67 0.13 12 0 "[ . 1 . 2 .]"
90 . 1 109 GLN C 1 110 ASP N 1 110 ASP CA 1 110 ASP C -150.00 -30.00 -117.03 -150.11 -61.54 0.11 19 0 "[ . 1 . 2 .]"
91 . 1 110 ASP C 1 111 THR N 1 111 THR CA 1 111 THR C -160.00 -40.00 -99.72 -97.37 -160.05 0.23 11 0 "[ . 1 . 2 .]"
92 . 1 111 THR C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -160.00 -40.00 -117.79 -69.20 -129.91 0.28 15 0 "[ . 1 . 2 .]"
93 . 1 112 LYS C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -150.00 -30.00 -84.34 -73.29 -150.11 0.24 1 0 "[ . 1 . 2 .]"
94 . 1 113 LEU C 1 114 SER N 1 114 SER CA 1 114 SER C -160.00 -40.00 -93.21 -160.20 -57.29 0.20 2 0 "[ . 1 . 2 .]"
95 . 1 5 GLU N 1 5 GLU CA 1 5 GLU C 1 6 SER N -80.00 40.00 -43.93 -78.12 40.36 0.36 7 0 "[ . 1 . 2 .]"
96 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 ILE N 70.00 170.00 158.72 121.98 170.19 0.19 12 0 "[ . 1 . 2 .]"
97 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 ARG N 70.00 170.00 103.04 146.59 132.85 0.25 6 0 "[ . 1 . 2 .]"
98 . 1 8 ARG N 1 8 ARG CA 1 8 ARG C 1 9 PHE N 70.00 170.00 95.71 103.89 100.41 0.27 18 0 "[ . 1 . 2 .]"
99 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 GLY N 70.00 170.00 92.19 69.78 114.97 0.22 25 0 "[ . 1 . 2 .]"
100 . 1 11 PRO N 1 11 PRO CA 1 11 PRO C 1 12 ASN N -70.00 50.00 -2.44 -45.31 50.21 0.21 4 0 "[ . 1 . 2 .]"
101 . 1 12 ASN N 1 12 ASN CA 1 12 ASN C 1 13 VAL N 70.00 170.00 130.07 128.72 125.18 . . 0 "[ . 1 . 2 .]"
102 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 PHE N 70.00 170.00 135.63 158.01 153.97 0.01 2 0 "[ . 1 . 2 .]"
103 . 1 14 PHE N 1 14 PHE CA 1 14 PHE C 1 15 TYR N 70.00 170.00 126.03 139.42 133.56 . . 0 "[ . 1 . 2 .]"
104 . 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 VAL N 70.00 170.00 119.73 101.70 165.34 . . 0 "[ . 1 . 2 .]"
105 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 LEU N -100.00 20.00 -16.31 -63.46 16.47 . . 0 "[ . 1 . 2 .]"
106 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 LYS N -90.00 30.00 -26.15 -55.85 0.87 . . 0 "[ . 1 . 2 .]"
107 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 LEU N -55.00 65.00 -32.30 -35.30 -36.22 . . 0 "[ . 1 . 2 .]"
108 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 THR N -20.00 100.00 41.18 39.14 35.81 . . 0 "[ . 1 . 2 .]"
109 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 VAL N 70.00 170.00 120.91 138.30 130.63 . . 0 "[ . 1 . 2 .]"
110 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 GLU N 70.00 170.00 115.43 96.91 129.78 . . 0 "[ . 1 . 2 .]"
111 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 THR N 70.00 170.00 105.84 76.85 144.95 . . 0 "[ . 1 . 2 .]"
112 . 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 PRO N 70.00 170.00 156.78 126.17 170.12 0.12 9 0 "[ . 1 . 2 .]"
113 . 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 GLU N -80.00 40.00 -23.53 -30.92 -36.08 . . 0 "[ . 1 . 2 .]"
114 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 GLY N -65.00 55.00 -24.39 -32.69 -41.83 . . 0 "[ . 1 . 2 .]"
115 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 VAL N 70.00 170.00 166.50 149.72 170.26 0.26 18 0 "[ . 1 . 2 .]"
116 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 HIS N 70.00 170.00 122.23 94.44 158.36 . . 0 "[ . 1 . 2 .]"
117 . 1 29 HIS N 1 29 HIS CA 1 29 HIS C 1 30 LEU N 70.00 170.00 156.69 110.15 170.12 0.12 6 0 "[ . 1 . 2 .]"
118 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 THR N 70.00 170.00 167.83 170.12 170.11 0.81 22 0 "[ . 1 . 2 .]"
119 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 PRO N 70.00 170.00 131.71 138.18 136.98 . . 0 "[ . 1 . 2 .]"
120 . 1 32 PRO N 1 32 PRO CA 1 32 PRO C 1 33 SER N -70.00 -10.00 -17.14 -28.19 -9.85 0.15 4 0 "[ . 1 . 2 .]"
121 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 GLU N -70.00 -10.00 -39.14 -58.61 -29.51 . . 0 "[ . 1 . 2 .]"
122 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 SER N -70.00 -10.00 -38.09 -48.08 -26.11 . . 0 "[ . 1 . 2 .]"
123 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 GLY N -70.00 -10.00 -14.06 -13.69 -14.52 0.34 22 0 "[ . 1 . 2 .]"
124 . 1 37 ILE N 1 37 ILE CA 1 37 ILE C 1 38 LEU N -70.00 -10.00 -36.92 -48.88 -27.94 . . 0 "[ . 1 . 2 .]"
125 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 LYS N -70.00 -10.00 -21.00 -18.27 -18.80 . . 0 "[ . 1 . 2 .]"
126 . 1 39 LYS N 1 39 LYS CA 1 39 LYS C 1 40 ARG N -70.00 -10.00 -35.63 -31.18 -31.58 . . 0 "[ . 1 . 2 .]"
127 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 LEU N -70.00 -10.00 -30.69 -42.48 -17.37 . . 0 "[ . 1 . 2 .]"
128 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 LEU N -70.00 -10.00 -22.20 -23.31 -25.45 . . 0 "[ . 1 . 2 .]"
129 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 ILE N -70.00 -10.00 -26.50 -27.08 -27.34 . . 0 "[ . 1 . 2 .]"
130 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 ASN N -70.00 -10.00 -29.95 -34.57 -22.76 . . 0 "[ . 1 . 2 .]"
131 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 LYS N -65.00 55.00 -40.72 -39.44 -42.53 . . 0 "[ . 1 . 2 .]"
132 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 GLY N 70.00 -170.00 86.24 69.98 93.22 0.02 18 0 "[ . 1 . 2 .]"
133 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 LEU N 70.00 170.00 155.01 134.41 170.02 0.02 22 0 "[ . 1 . 2 .]"
134 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 CYS N 70.00 170.00 100.02 69.94 122.97 0.06 7 0 "[ . 1 . 2 .]"
135 . 1 49 CYS N 1 49 CYS CA 1 49 CYS C 1 50 LEU N 70.00 170.00 125.96 74.57 170.56 0.56 25 0 "[ . 1 . 2 .]"
136 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 ARG N 100.00 -140.00 158.60 127.44 -179.79 . . 0 "[ . 1 . 2 .]"
137 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 LYS N -70.00 -10.00 -44.59 -50.00 -59.84 0.74 6 0 "[ . 1 . 2 .]"
138 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 HIS N -70.00 -10.00 -32.69 -68.55 -11.69 . . 0 "[ . 1 . 2 .]"
139 . 1 53 HIS N 1 53 HIS CA 1 53 HIS C 1 54 LEU N -70.00 -10.00 -28.71 -27.55 -29.88 . . 0 "[ . 1 . 2 .]"
140 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 LEU N -70.00 -10.00 -32.16 -28.70 -29.34 . . 0 "[ . 1 . 2 .]"
141 . 1 55 LEU N 1 55 LEU CA 1 55 LEU C 1 56 GLU N -70.00 -10.00 -18.49 -23.12 -26.17 0.24 19 0 "[ . 1 . 2 .]"
142 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 GLU N -70.00 -10.00 -22.02 -20.63 -21.18 . . 0 "[ . 1 . 2 .]"
143 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ILE N -70.00 -10.00 -27.75 -25.29 -27.33 . . 0 "[ . 1 . 2 .]"
144 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 LYS N -80.00 40.00 -21.06 -26.96 -9.33 . . 0 "[ . 1 . 2 .]"
145 . 1 68 ARG N 1 68 ARG CA 1 68 ARG C 1 69 ASN N -65.00 55.00 -12.48 -22.93 -25.22 0.99 16 0 "[ . 1 . 2 .]"
146 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 VAL N 90.00 -150.00 169.38 138.58 -168.31 . . 0 "[ . 1 . 2 .]"
147 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 ASP N -70.00 -10.00 -29.51 -27.20 -28.85 . . 0 "[ . 1 . 2 .]"
148 . 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 VAL N -70.00 -10.00 -54.25 -70.13 -31.84 0.13 21 0 "[ . 1 . 2 .]"
149 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 HIS N -70.00 -10.00 -23.85 -34.20 -18.32 . . 0 "[ . 1 . 2 .]"
150 . 1 73 HIS N 1 73 HIS CA 1 73 HIS C 1 74 ILE N -70.00 -10.00 -27.89 -25.67 -26.01 . . 0 "[ . 1 . 2 .]"
151 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 ALA N -70.00 -10.00 -32.60 -40.00 -26.41 . . 0 "[ . 1 . 2 .]"
152 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 SER N -70.00 -10.00 -39.36 -42.42 -43.86 . . 0 "[ . 1 . 2 .]"
153 . 1 76 SER N 1 76 SER CA 1 76 SER C 1 77 LEU N -70.00 -10.00 -27.33 -24.27 -25.20 . . 0 "[ . 1 . 2 .]"
154 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 ARG N -70.00 -10.00 -34.09 -41.30 -24.01 . . 0 "[ . 1 . 2 .]"
155 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 LYS N -70.00 -10.00 -25.36 -34.06 -17.46 . . 0 "[ . 1 . 2 .]"
156 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 LYS N -70.00 -10.00 -43.54 -58.67 -16.22 . . 0 "[ . 1 . 2 .]"
157 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 LEU N -70.00 -10.00 -54.90 -63.95 -45.77 . . 0 "[ . 1 . 2 .]"
158 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 GLY N -70.00 50.00 -52.28 -70.48 -1.83 0.48 17 0 "[ . 1 . 2 .]"
159 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 TYR N -70.00 -10.00 -21.02 -16.43 -17.53 0.24 9 0 "[ . 1 . 2 .]"
160 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 GLY N -70.00 -10.00 -28.38 -49.15 -12.19 . . 0 "[ . 1 . 2 .]"
161 . 1 85 GLY N 1 85 GLY CA 1 85 GLY C 1 86 SER N -70.00 -10.00 -33.24 -47.99 -25.05 . . 0 "[ . 1 . 2 .]"
162 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 ARG N -70.00 -10.00 -15.37 -14.50 -14.96 . . 0 "[ . 1 . 2 .]"
163 . 1 87 ARG N 1 87 ARG CA 1 87 ARG C 1 88 ILE N -65.00 55.00 -31.69 -41.18 -42.01 . . 0 "[ . 1 . 2 .]"
164 . 1 88 ILE N 1 88 ILE CA 1 88 ILE C 1 89 VAL N 70.00 170.00 92.27 72.05 107.24 . . 0 "[ . 1 . 2 .]"
165 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 THR N 70.00 170.00 132.20 145.20 141.38 . . 0 "[ . 1 . 2 .]"
166 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 LEU N 70.00 170.00 95.37 87.40 86.19 . . 0 "[ . 1 . 2 .]"
167 . 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 ARG N 70.00 170.00 130.54 126.09 125.45 . . 0 "[ . 1 . 2 .]"
168 . 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 GLY N 70.00 -170.00 74.33 69.85 69.85 0.17 21 0 "[ . 1 . 2 .]"
169 . 1 94 VAL N 1 94 VAL CA 1 94 VAL C 1 95 GLY N -80.00 40.00 -43.95 -62.81 -28.95 . . 0 "[ . 1 . 2 .]"
170 . 1 96 TYR N 1 96 TYR CA 1 96 TYR C 1 97 LEU N 70.00 170.00 116.18 110.01 109.45 . . 0 "[ . 1 . 2 .]"
171 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 PHE N 70.00 170.00 113.47 83.39 79.58 . . 0 "[ . 1 . 2 .]"
172 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 SER N 70.00 170.00 83.07 79.49 74.78 0.51 8 0 "[ . 1 . 2 .]"
173 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 ASP N 70.00 170.00 127.45 126.57 122.65 0.14 18 0 "[ . 1 . 2 .]"
174 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 ASP N -80.00 40.00 -51.83 -42.02 -53.35 0.61 8 0 "[ . 1 . 2 .]"
175 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 GLY N -70.00 50.00 -49.26 -70.56 52.65 2.65 25 0 "[ . 1 . 2 .]"
176 . 1 102 GLY N 1 102 GLY CA 1 102 GLY C 1 103 ASP N -40.00 80.00 41.40 14.17 -25.15 0.13 15 0 "[ . 1 . 2 .]"
177 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 LYS N 70.00 -170.00 121.58 69.68 -169.98 0.32 21 0 "[ . 1 . 2 .]"
178 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 LYS N 80.00 -160.00 165.48 113.21 -159.68 0.32 25 0 "[ . 1 . 2 .]"
179 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 PHE N 70.00 -170.00 118.19 133.35 120.40 0.06 1 0 "[ . 1 . 2 .]"
180 . 1 106 PHE N 1 106 PHE CA 1 106 PHE C 1 107 SER N 60.00 180.00 126.54 150.01 135.88 0.02 5 0 "[ . 1 . 2 .]"
181 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 GLN N 70.00 -170.00 117.40 120.90 115.23 . . 0 "[ . 1 . 2 .]"
182 . 1 108 GLN N 1 108 GLN CA 1 108 GLN C 1 109 GLN N -90.00 30.00 -50.10 -46.68 -50.49 . . 0 "[ . 1 . 2 .]"
183 . 1 109 GLN N 1 109 GLN CA 1 109 GLN C 1 110 ASP N 80.00 -160.00 137.61 91.37 -165.22 . . 0 "[ . 1 . 2 .]"
184 . 1 110 ASP N 1 110 ASP CA 1 110 ASP C 1 111 THR N -80.00 40.00 -12.13 -17.20 -18.17 . . 0 "[ . 1 . 2 .]"
185 . 1 111 THR N 1 111 THR CA 1 111 THR C 1 112 LYS N 70.00 -170.00 139.69 83.19 -174.80 . . 0 "[ . 1 . 2 .]"
186 . 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 LEU N 70.00 -170.00 113.66 154.04 135.32 0.10 11 0 "[ . 1 . 2 .]"
187 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 SER N 70.00 -170.00 125.16 119.29 104.53 . . 0 "[ . 1 . 2 .]"
188 . 1 114 SER N 1 114 SER CA 1 114 SER C 1 115 LEU N 70.00 -170.00 134.25 78.76 -175.65 . . 0 "[ . 1 . 2 .]"
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