NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385603 |
1l3g   |
4254 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1l3g
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 205
_TA_constraint_stats_list.Viol_count 1291
_TA_constraint_stats_list.Viol_total 21379.66
_TA_constraint_stats_list.Viol_max 4.85
_TA_constraint_stats_list.Viol_rms 0.66
_TA_constraint_stats_list.Viol_average_all_restraints 0.29
_TA_constraint_stats_list.Viol_average_violations_only 0.87
_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 1 SER C 1 2 ASN N 1 2 ASN CA 1 2 ASN C -96.30 -73.10 -87.93 -96.57 -77.44 0.27 15 0 "[ . 1 . ]"
2 . 1 2 ASN C 1 3 GLN N 1 3 GLN CA 1 3 GLN C -113.60 -61.20 -80.92 -115.86 -60.59 2.26 9 0 "[ . 1 . ]"
3 . 1 3 GLN C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -122.40 -89.80 -113.93 -111.94 -113.50 4.20 9 0 "[ . 1 . ]"
4 . 1 5 TYR C 1 6 SER N 1 6 SER CA 1 6 SER C -117.90 -96.30 -112.46 -106.72 -108.82 0.73 7 0 "[ . 1 . ]"
5 . 1 6 SER C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -150.00 -90.00 -147.31 -146.05 -147.82 0.76 18 0 "[ . 1 . ]"
6 . 1 7 ALA C 1 8 ARG N 1 8 ARG CA 1 8 ARG C -150.00 -90.00 -136.49 -149.77 -116.59 . . 0 "[ . 1 . ]"
7 . 1 8 ARG C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -144.30 -102.90 -143.64 -144.94 -131.79 0.64 3 0 "[ . 1 . ]"
8 . 1 9 TYR C 1 10 SER N 1 10 SER CA 1 10 SER C 44.90 56.50 55.83 56.73 56.64 1.03 6 0 "[ . 1 . ]"
9 . 1 10 SER C 1 11 GLY N 1 11 GLY CA 1 11 GLY C 72.40 95.60 72.88 71.16 79.98 1.24 11 0 "[ . 1 . ]"
10 . 1 11 GLY C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -150.00 -90.00 -116.70 -132.29 -87.61 2.39 10 0 "[ . 1 . ]"
11 . 1 12 VAL C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -108.70 -81.70 -88.32 -80.71 -80.83 1.65 14 0 "[ . 1 . ]"
12 . 1 13 ASP C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -150.00 -90.00 -146.41 -150.47 -133.07 0.47 11 0 "[ . 1 . ]"
13 . 1 14 VAL C 1 15 TYR N 1 15 TYR CA 1 15 TYR C -124.10 -104.30 -116.35 -124.43 -108.55 0.33 5 0 "[ . 1 . ]"
14 . 1 15 TYR C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -134.80 -120.60 -121.05 -119.93 -120.07 1.32 10 0 "[ . 1 . ]"
15 . 1 16 GLU C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -136.50 -98.90 -130.42 -136.76 -115.93 0.26 8 0 "[ . 1 . ]"
16 . 1 17 PHE C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -120.40 -78.80 -80.61 -90.65 -78.52 0.28 15 0 "[ . 1 . ]"
17 . 1 18 ILE C 1 19 HIS N 1 19 HIS CA 1 19 HIS C -150.00 -90.00 -149.76 -150.23 -150.34 0.52 18 0 "[ . 1 . ]"
18 . 1 19 HIS C 1 20 SER N 1 20 SER CA 1 20 SER C -80.80 -59.40 -64.13 -67.05 -62.32 . . 0 "[ . 1 . ]"
19 . 1 20 SER C 1 21 THR N 1 21 THR CA 1 21 THR C -93.80 -71.20 -95.58 -95.62 -95.71 2.16 10 0 "[ . 1 . ]"
20 . 1 21 THR C 1 22 GLY N 1 22 GLY CA 1 22 GLY C 70.50 92.70 92.95 92.75 93.19 0.49 18 0 "[ . 1 . ]"
21 . 1 23 SER C 1 24 ILE N 1 24 ILE CA 1 24 ILE C -128.50 -92.70 -115.01 -117.72 -112.34 . . 0 "[ . 1 . ]"
22 . 1 24 ILE C 1 25 MET N 1 25 MET CA 1 25 MET C -142.90 -103.10 -110.20 -122.45 -101.40 1.70 1 0 "[ . 1 . ]"
23 . 1 25 MET C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -150.00 -90.00 -113.58 -111.96 -150.21 0.62 3 0 "[ . 1 . ]"
24 . 1 26 LYS C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -124.30 -71.90 -84.81 -79.49 -80.16 . . 0 "[ . 1 . ]"
25 . 1 27 ARG C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -67.30 -59.50 -65.69 -59.67 -60.98 1.47 16 0 "[ . 1 . ]"
26 . 1 28 LYS C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -82.10 -44.50 -49.23 -45.48 -47.13 1.39 11 0 "[ . 1 . ]"
27 . 1 29 LYS C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -115.70 -81.30 -115.22 -116.13 -116.17 1.20 14 0 "[ . 1 . ]"
28 . 1 31 ASP C 1 32 TRP N 1 32 TRP CA 1 32 TRP C -125.80 -55.40 -85.07 -100.07 -73.44 . . 0 "[ . 1 . ]"
29 . 1 32 TRP C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -150.00 -90.00 -123.46 -132.39 -112.74 . . 0 "[ . 1 . ]"
30 . 1 33 VAL C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -90.00 -30.00 -63.41 -67.85 -60.61 . . 0 "[ . 1 . ]"
31 . 1 34 ASN C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -90.00 -30.00 -40.32 -47.34 -34.64 . . 0 "[ . 1 . ]"
32 . 1 35 ALA C 1 36 THR N 1 36 THR CA 1 36 THR C -69.30 -60.50 -61.32 -60.39 -60.64 0.99 3 0 "[ . 1 . ]"
33 . 1 36 THR C 1 37 HIS N 1 37 HIS CA 1 37 HIS C -68.60 -58.00 -62.30 -67.05 -57.60 0.40 16 0 "[ . 1 . ]"
34 . 1 37 HIS C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -90.00 -30.00 -90.28 -90.10 -90.21 0.47 1 0 "[ . 1 . ]"
35 . 1 38 ILE C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -90.00 -30.00 -90.66 -91.02 -90.42 1.02 14 0 "[ . 1 . ]"
36 . 1 39 LEU C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -69.30 -52.70 -66.38 -67.12 -65.41 . . 0 "[ . 1 . ]"
37 . 1 40 LYS C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -90.00 -30.00 -67.19 -68.49 -68.93 . . 0 "[ . 1 . ]"
38 . 1 44 PHE C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -94.10 -78.50 -88.98 -94.18 -78.52 0.08 14 0 "[ . 1 . ]"
39 . 1 45 ALA C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -145.70 -87.10 -137.75 -135.23 -136.68 0.94 7 0 "[ . 1 . ]"
40 . 1 46 LYS C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -69.80 -55.40 -51.66 -52.15 -51.43 3.97 15 0 "[ . 1 . ]"
41 . 1 47 ALA C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -66.60 -57.60 -68.31 -68.28 -68.32 2.08 17 0 "[ . 1 . ]"
42 . 1 48 LYS C 1 49 ARG N 1 49 ARG CA 1 49 ARG C -66.40 -61.60 -61.28 -62.69 -60.61 0.99 13 0 "[ . 1 . ]"
43 . 1 50 THR C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -106.20 -73.80 -92.21 -92.46 -93.02 . . 0 "[ . 1 . ]"
44 . 1 51 ARG C 1 52 ILE N 1 52 ILE CA 1 52 ILE C -74.20 -47.20 -46.23 -47.90 -45.33 1.87 15 0 "[ . 1 . ]"
45 . 1 52 ILE C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -65.90 -55.10 -67.82 -68.28 -67.31 2.38 3 0 "[ . 1 . ]"
46 . 1 53 LEU C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -72.80 -53.60 -54.26 -53.27 -54.36 2.03 6 0 "[ . 1 . ]"
47 . 1 54 GLU C 1 55 LYS N 1 55 LYS CA 1 55 LYS C -84.50 -58.30 -72.20 -71.91 -72.00 . . 0 "[ . 1 . ]"
48 . 1 55 LYS C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -92.00 -56.20 -77.72 -56.26 -71.59 0.53 2 0 "[ . 1 . ]"
49 . 1 56 GLU C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -107.80 -64.60 -87.56 -86.43 -87.40 . . 0 "[ . 1 . ]"
50 . 1 57 VAL C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -90.00 -30.00 -39.44 -49.07 -33.18 . . 0 "[ . 1 . ]"
51 . 1 58 LEU C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -90.00 -30.00 -77.23 -75.35 -84.73 0.78 4 0 "[ . 1 . ]"
52 . 1 59 LYS C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -111.30 -74.10 -106.69 -112.16 -74.07 0.86 13 0 "[ . 1 . ]"
53 . 1 61 THR C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -163.30 -62.30 -71.45 -77.38 -98.61 0.11 15 0 "[ . 1 . ]"
54 . 1 62 HIS C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -150.00 -90.00 -131.93 -150.19 -112.76 0.19 11 0 "[ . 1 . ]"
55 . 1 63 GLU C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -111.80 -80.80 -98.95 -113.72 -89.37 1.92 9 0 "[ . 1 . ]"
56 . 1 64 LYS C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -126.70 -89.50 -91.76 -120.49 -89.07 0.43 9 0 "[ . 1 . ]"
57 . 1 65 VAL C 1 66 GLN N 1 66 GLN CA 1 66 GLN C -142.60 -93.80 -142.57 -143.18 -139.10 0.58 5 0 "[ . 1 . ]"
58 . 1 66 GLN C 1 67 GLY N 1 67 GLY CA 1 67 GLY C 76.40 93.20 90.40 92.52 92.48 1.34 13 0 "[ . 1 . ]"
59 . 1 67 GLY C 1 68 GLY N 1 68 GLY CA 1 68 GLY C 88.40 101.20 99.21 88.25 101.53 0.33 7 0 "[ . 1 . ]"
60 . 1 68 GLY C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -102.90 -83.70 -100.94 -96.94 -100.08 0.61 9 0 "[ . 1 . ]"
61 . 1 69 PHE C 1 70 GLY N 1 70 GLY CA 1 70 GLY C 81.40 92.20 86.90 81.12 92.43 0.28 16 0 "[ . 1 . ]"
62 . 1 70 GLY C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -115.20 -76.60 -72.35 -72.79 -71.85 4.75 16 0 "[ . 1 . ]"
63 . 1 71 LYS C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -143.10 -68.50 -84.85 -80.48 -82.46 . . 0 "[ . 1 . ]"
64 . 1 72 TYR C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -92.90 -54.50 -94.25 -94.54 -93.62 1.64 11 0 "[ . 1 . ]"
65 . 1 73 GLN C 1 74 GLY N 1 74 GLY CA 1 74 GLY C 73.50 103.10 72.86 72.61 72.49 1.75 17 0 "[ . 1 . ]"
66 . 1 74 GLY C 1 75 THR N 1 75 THR CA 1 75 THR C -125.60 -93.80 -112.54 -114.71 -125.90 1.44 10 0 "[ . 1 . ]"
67 . 1 75 THR C 1 76 TRP N 1 76 TRP CA 1 76 TRP C -129.30 -76.30 -77.32 -88.54 -75.30 1.00 19 0 "[ . 1 . ]"
68 . 1 76 TRP C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -140.80 -119.00 -138.50 -141.97 -125.56 1.17 19 0 "[ . 1 . ]"
69 . 1 78 PRO C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -75.30 -49.90 -49.59 -51.77 -49.01 0.89 14 0 "[ . 1 . ]"
70 . 1 79 LEU C 1 80 ASN N 1 80 ASN CA 1 80 ASN C -90.00 -30.00 -63.35 -69.30 -59.37 . . 0 "[ . 1 . ]"
71 . 1 81 ILE C 1 82 ALA N 1 82 ALA CA 1 82 ALA C -66.10 -58.70 -63.33 -64.81 -61.03 . . 0 "[ . 1 . ]"
72 . 1 82 ALA C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -68.40 -56.40 -59.12 -63.69 -55.63 0.77 1 0 "[ . 1 . ]"
73 . 1 83 LYS C 1 84 GLN N 1 84 GLN CA 1 84 GLN C -90.00 -30.00 -70.30 -72.86 -67.18 . . 0 "[ . 1 . ]"
74 . 1 84 GLN C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -90.00 -30.00 -85.56 -90.02 -77.84 0.02 17 0 "[ . 1 . ]"
75 . 1 85 LEU C 1 86 ALA N 1 86 ALA CA 1 86 ALA C -90.00 -30.00 -84.96 -90.27 -62.63 0.27 14 0 "[ . 1 . ]"
76 . 1 86 ALA C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -90.00 -30.00 -36.39 -40.24 -51.83 . . 0 "[ . 1 . ]"
77 . 1 87 GLU C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -67.60 -54.40 -69.05 -70.69 -67.58 3.09 4 0 "[ . 1 . ]"
78 . 1 88 LYS C 1 89 PHE N 1 89 PHE CA 1 89 PHE C -108.60 -74.80 -110.18 -110.18 -110.28 2.63 14 0 "[ . 1 . ]"
79 . 1 89 PHE C 1 90 SER N 1 90 SER CA 1 90 SER C -101.00 -56.40 -74.24 -71.71 -73.17 . . 0 "[ . 1 . ]"
80 . 1 90 SER C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -118.30 -72.90 -119.92 -119.94 -120.23 3.73 8 0 "[ . 1 . ]"
81 . 1 91 VAL C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -90.00 -30.00 -33.77 -42.70 -28.49 1.51 14 0 "[ . 1 . ]"
82 . 1 92 TYR C 1 93 ASP N 1 93 ASP CA 1 93 ASP C -90.00 -30.00 -80.99 -91.38 -42.64 1.38 16 0 "[ . 1 . ]"
83 . 1 93 ASP C 1 94 GLN N 1 94 GLN CA 1 94 GLN C -90.00 -30.00 -56.34 -56.75 -57.81 . . 0 "[ . 1 . ]"
84 . 1 94 GLN C 1 95 LEU N 1 95 LEU CA 1 95 LEU C -104.20 -65.20 -82.13 -77.61 -79.19 . . 0 "[ . 1 . ]"
85 . 1 95 LEU C 1 96 LYS N 1 96 LYS CA 1 96 LYS C -68.30 -53.50 -57.20 -68.48 -52.36 1.14 16 0 "[ . 1 . ]"
86 . 1 97 PRO C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -90.00 -30.00 -49.56 -60.93 -40.45 . . 0 "[ . 1 . ]"
87 . 1 98 LEU C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -90.00 -30.00 -79.45 -78.03 -80.69 0.62 7 0 "[ . 1 . ]"
88 . 1 99 PHE C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -90.00 -30.00 -77.12 -90.36 -59.75 0.36 7 0 "[ . 1 . ]"
89 . 1 101 PHE C 1 102 THR N 1 102 THR CA 1 102 THR C -139.70 -77.90 -101.91 -77.33 -80.19 1.65 2 0 "[ . 1 . ]"
90 . 1 102 THR C 1 103 GLN N 1 103 GLN CA 1 103 GLN C -108.40 -88.60 -98.54 -88.40 -88.48 3.09 18 0 "[ . 1 . ]"
91 . 1 103 GLN C 1 104 THR N 1 104 THR CA 1 104 THR C -109.90 -60.70 -90.53 -60.70 -66.35 1.41 17 0 "[ . 1 . ]"
92 . 1 104 THR C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -90.00 -30.00 -65.90 -91.13 -28.22 1.78 16 0 "[ . 1 . ]"
93 . 1 105 ASP C 1 106 GLY N 1 106 GLY CA 1 106 GLY C 84.90 94.70 93.48 94.87 94.71 3.64 18 0 "[ . 1 . ]"
94 . 1 106 GLY C 1 107 SER N 1 107 SER CA 1 107 SER C -90.00 -30.00 -81.55 -78.92 -86.76 1.12 3 0 "[ . 1 . ]"
95 . 1 107 SER C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -90.00 -30.00 -37.85 -29.84 -29.90 1.29 16 0 "[ . 1 . ]"
96 . 1 108 ALA C 1 109 SER N 1 109 SER CA 1 109 SER C -116.30 -70.70 -97.97 -76.39 -84.58 1.87 18 0 "[ . 1 . ]"
97 . 1 112 PRO C 1 113 ALA N 1 113 ALA CA 1 113 ALA C -90.00 -30.00 -45.72 -81.87 -26.82 3.18 19 0 "[ . 1 . ]"
98 . 1 114 PRO C 1 115 LYS N 1 115 LYS CA 1 115 LYS C -90.00 -30.00 -67.65 -90.36 -29.66 0.36 14 0 "[ . 1 . ]"
99 . 1 115 LYS C 1 116 HIS N 1 116 HIS CA 1 116 HIS C -127.20 -70.60 -103.01 -89.14 -101.96 0.33 5 0 "[ . 1 . ]"
100 . 1 116 HIS C 1 117 HIS N 1 117 HIS CA 1 117 HIS C -92.80 -49.60 -63.52 -60.70 -68.95 1.24 5 0 "[ . 1 . ]"
101 . 1 117 HIS C 1 118 HIS N 1 118 HIS CA 1 118 HIS C -102.60 -66.00 -80.25 -102.94 -64.28 1.72 9 0 "[ . 1 . ]"
102 . 1 118 HIS C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -90.00 -30.00 -52.76 -57.16 -69.27 1.33 9 0 "[ . 1 . ]"
103 . 1 119 ALA C 1 120 SER N 1 120 SER CA 1 120 SER C -112.90 -61.90 -102.75 -115.58 -85.33 2.68 13 0 "[ . 1 . ]"
104 . 1 120 SER C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -112.60 -63.40 -96.23 -89.13 -98.86 2.91 19 0 "[ . 1 . ]"
105 . 1 121 LYS C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -112.30 -62.90 -86.94 -69.23 -82.18 1.45 9 0 "[ . 1 . ]"
106 . 1 122 VAL C 1 123 ASP N 1 123 ASP CA 1 123 ASP C -96.80 -54.00 -72.29 -93.05 -54.16 . . 0 "[ . 1 . ]"
107 . 1 2 ASN N 1 2 ASN CA 1 2 ASN C 1 3 GLN N -58.50 14.30 -9.61 9.86 4.09 . . 0 "[ . 1 . ]"
108 . 1 3 GLN N 1 3 GLN CA 1 3 GLN C 1 4 ILE N 96.10 -176.70 163.58 96.32 95.31 4.55 9 0 "[ . 1 . ]"
109 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 TYR N 89.30 153.70 96.88 88.85 129.93 0.45 4 0 "[ . 1 . ]"
110 . 1 5 TYR N 1 5 TYR CA 1 5 TYR C 1 6 SER N 115.50 166.70 159.89 160.78 158.67 1.26 16 0 "[ . 1 . ]"
111 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 ALA N 113.80 158.20 146.35 137.12 150.92 . . 0 "[ . 1 . ]"
112 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 ARG N 131.90 169.30 155.50 143.90 160.56 . . 0 "[ . 1 . ]"
113 . 1 8 ARG N 1 8 ARG CA 1 8 ARG C 1 9 TYR N 105.80 151.60 118.47 126.97 124.00 0.19 9 0 "[ . 1 . ]"
114 . 1 9 TYR N 1 9 TYR CA 1 9 TYR C 1 10 SER N 109.80 172.00 165.38 166.14 164.89 0.65 6 0 "[ . 1 . ]"
115 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 GLY N 26.40 56.60 35.61 34.99 33.97 . . 0 "[ . 1 . ]"
116 . 1 11 GLY N 1 11 GLY CA 1 11 GLY C 1 12 VAL N -15.90 25.90 -9.14 -16.36 -1.55 0.46 17 0 "[ . 1 . ]"
117 . 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 ASP N 103.30 149.50 139.24 137.41 136.02 3.15 10 0 "[ . 1 . ]"
118 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 VAL N 105.90 174.70 150.16 159.84 156.56 . . 0 "[ . 1 . ]"
119 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 TYR N 135.00 177.40 177.29 178.28 177.93 1.68 11 0 "[ . 1 . ]"
120 . 1 15 TYR N 1 15 TYR CA 1 15 TYR C 1 16 GLU N 114.60 149.80 144.62 139.48 137.72 1.89 19 0 "[ . 1 . ]"
121 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 ILE N 101.10 159.50 142.96 135.73 151.54 . . 0 "[ . 1 . ]"
122 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 HIS N 102.10 139.10 132.12 127.51 137.30 . . 0 "[ . 1 . ]"
123 . 1 20 SER N 1 20 SER CA 1 20 SER C 1 21 THR N -40.90 0.90 -37.95 -39.06 -39.83 0.32 13 0 "[ . 1 . ]"
124 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 GLY N -30.40 16.40 12.81 11.12 10.48 0.53 16 0 "[ . 1 . ]"
125 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 ILE N 91.00 159.80 140.50 141.56 140.00 . . 0 "[ . 1 . ]"
126 . 1 24 ILE N 1 24 ILE CA 1 24 ILE C 1 25 MET N 111.40 147.00 125.46 123.09 128.29 . . 0 "[ . 1 . ]"
127 . 1 25 MET N 1 25 MET CA 1 25 MET C 1 26 LYS N 126.90 168.50 134.40 124.51 169.62 2.39 14 0 "[ . 1 . ]"
128 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 ARG N 117.70 167.90 156.10 138.67 168.22 0.32 4 0 "[ . 1 . ]"
129 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 LYS N 110.30 153.10 129.65 109.94 140.65 0.36 2 0 "[ . 1 . ]"
130 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 LYS N -54.20 -13.40 -38.66 -32.20 -35.23 . . 0 "[ . 1 . ]"
131 . 1 32 TRP N 1 32 TRP CA 1 32 TRP C 1 33 VAL N 109.20 159.00 159.27 159.50 159.38 1.04 11 0 "[ . 1 . ]"
132 . 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 ASN N 108.20 160.60 148.66 154.09 151.74 . . 0 "[ . 1 . ]"
133 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 ALA N 99.20 152.00 99.46 98.63 101.57 0.57 6 0 "[ . 1 . ]"
134 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 THR N -56.40 -17.80 -25.40 -23.06 -23.45 . . 0 "[ . 1 . ]"
135 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 HIS N -59.40 -28.80 -47.81 -45.08 -45.79 . . 0 "[ . 1 . ]"
136 . 1 37 HIS N 1 37 HIS CA 1 37 HIS C 1 38 ILE N -70.60 -15.80 -28.22 -27.26 -27.56 . . 0 "[ . 1 . ]"
137 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 LEU N -61.90 -26.10 -50.26 -54.02 -46.06 . . 0 "[ . 1 . ]"
138 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 LYS N -60.70 -23.50 -49.87 -51.00 -48.27 . . 0 "[ . 1 . ]"
139 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 ALA N -55.90 -25.10 -25.42 -24.86 -24.87 0.33 8 0 "[ . 1 . ]"
140 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 ALA N -55.90 -0.10 -23.04 -25.82 -18.85 . . 0 "[ . 1 . ]"
141 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 ASN N -28.70 30.70 5.77 3.20 -0.55 0.31 14 0 "[ . 1 . ]"
142 . 1 44 PHE N 1 44 PHE CA 1 44 PHE C 1 45 ALA N 94.80 167.00 152.68 131.73 167.22 0.22 5 0 "[ . 1 . ]"
143 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 LYS N 92.60 134.60 93.15 91.81 100.52 0.79 7 0 "[ . 1 . ]"
144 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 ALA N 106.20 -168.80 -166.88 -167.08 -166.73 2.07 6 0 "[ . 1 . ]"
145 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 LYS N -57.10 -16.50 -25.32 -27.53 -23.79 . . 0 "[ . 1 . ]"
146 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 ARG N -54.30 -24.50 -51.21 -52.03 -50.24 . . 0 "[ . 1 . ]"
147 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 ARG N -64.80 -27.00 -36.22 -35.21 -35.53 . . 0 "[ . 1 . ]"
148 . 1 52 ILE N 1 52 ILE CA 1 52 ILE C 1 53 LEU N -54.90 -14.50 -46.58 -52.38 -42.33 . . 0 "[ . 1 . ]"
149 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 GLU N -56.80 -22.40 -57.58 -57.77 -57.93 1.86 9 0 "[ . 1 . ]"
150 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 LYS N -57.20 -24.80 -46.83 -52.74 -39.07 . . 0 "[ . 1 . ]"
151 . 1 55 LYS N 1 55 LYS CA 1 55 LYS C 1 56 GLU N -52.70 -10.90 -35.65 -53.12 -23.00 0.42 12 0 "[ . 1 . ]"
152 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 VAL N -52.10 1.30 -47.65 -52.36 -40.19 0.26 8 0 "[ . 1 . ]"
153 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 LEU N -48.00 16.00 -46.15 -45.98 -47.88 0.61 8 0 "[ . 1 . ]"
154 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 LYS N -45.30 -16.50 -46.20 -46.88 -45.51 1.58 14 0 "[ . 1 . ]"
155 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 GLU N -28.50 26.10 -15.41 -13.30 -21.98 0.37 3 0 "[ . 1 . ]"
156 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 GLU N 115.70 178.10 129.95 124.89 120.59 0.04 1 0 "[ . 1 . ]"
157 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 LYS N 127.20 165.00 140.94 141.28 131.45 0.27 19 0 "[ . 1 . ]"
158 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 VAL N 95.20 143.40 121.52 123.75 123.74 0.22 12 0 "[ . 1 . ]"
159 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 GLN N 93.80 159.20 126.83 128.39 126.86 . . 0 "[ . 1 . ]"
160 . 1 66 GLN N 1 66 GLN CA 1 66 GLN C 1 67 GLY N 117.40 179.60 156.80 153.54 153.39 . . 0 "[ . 1 . ]"
161 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 PHE N -14.70 28.30 -1.53 -0.45 -1.75 . . 0 "[ . 1 . ]"
162 . 1 70 GLY N 1 70 GLY CA 1 70 GLY C 1 71 LYS N -13.90 23.30 22.96 14.52 24.63 1.33 9 0 "[ . 1 . ]"
163 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 TYR N -29.30 20.90 -8.00 -15.92 11.94 . . 0 "[ . 1 . ]"
164 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 GLY N -44.80 -3.20 -45.58 -45.78 -46.03 2.14 16 0 "[ . 1 . ]"
165 . 1 76 TRP N 1 76 TRP CA 1 76 TRP C 1 77 VAL N 91.50 161.70 158.79 161.70 161.25 1.16 19 0 "[ . 1 . ]"
166 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 PRO N 136.40 179.80 162.48 165.75 164.88 . . 0 "[ . 1 . ]"
167 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 ASN N -54.40 -16.60 -31.90 -32.52 -33.61 . . 0 "[ . 1 . ]"
168 . 1 80 ASN N 1 80 ASN CA 1 80 ASN C 1 81 ILE N -56.90 -24.30 -32.03 -36.16 -37.30 0.13 19 0 "[ . 1 . ]"
169 . 1 81 ILE N 1 81 ILE CA 1 81 ILE C 1 82 ALA N -55.30 -18.10 -31.98 -39.38 -27.86 . . 0 "[ . 1 . ]"
170 . 1 82 ALA N 1 82 ALA CA 1 82 ALA C 1 83 LYS N -57.80 -28.20 -58.03 -58.78 -54.17 0.98 14 0 "[ . 1 . ]"
171 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 GLN N -59.90 -28.50 -31.39 -35.31 -28.41 0.09 3 0 "[ . 1 . ]"
172 . 1 84 GLN N 1 84 GLN CA 1 84 GLN C 1 85 LEU N -59.10 -24.50 -28.06 -31.09 -34.25 0.53 19 0 "[ . 1 . ]"
173 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ALA N -57.40 -25.80 -41.67 -48.85 -35.43 . . 0 "[ . 1 . ]"
174 . 1 86 ALA N 1 86 ALA CA 1 86 ALA C 1 87 GLU N -59.60 -20.20 -58.42 -60.86 -45.19 1.26 4 0 "[ . 1 . ]"
175 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 LYS N -56.40 -24.40 -23.87 -24.84 -22.70 1.70 1 0 "[ . 1 . ]"
176 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 SER N -12.00 24.20 3.30 -3.23 14.24 . . 0 "[ . 1 . ]"
177 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 TYR N -38.30 10.50 9.24 -11.24 15.35 4.85 3 0 "[ . 1 . ]"
178 . 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 ASP N -59.40 -29.80 -35.72 -28.44 -28.92 3.78 8 0 "[ . 1 . ]"
179 . 1 93 ASP N 1 93 ASP CA 1 93 ASP C 1 94 GLN N -59.60 -23.60 -58.51 -61.02 -54.73 1.42 16 0 "[ . 1 . ]"
180 . 1 94 GLN N 1 94 GLN CA 1 94 GLN C 1 95 LEU N -58.10 -15.50 -39.80 -58.60 -22.85 0.50 13 0 "[ . 1 . ]"
181 . 1 96 LYS N 1 96 LYS CA 1 96 LYS C 1 97 PRO N -59.00 -25.20 -53.55 -59.78 -31.40 0.78 8 0 "[ . 1 . ]"
182 . 1 97 PRO N 1 97 PRO CA 1 97 PRO C 1 98 LEU N -59.10 -14.10 -56.87 -55.74 -57.73 0.98 15 0 "[ . 1 . ]"
183 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 PHE N -63.20 -23.00 -37.12 -35.31 -36.82 . . 0 "[ . 1 . ]"
184 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 ASP N -53.20 -22.00 -28.27 -43.60 -21.86 0.14 9 0 "[ . 1 . ]"
185 . 1 100 ASP N 1 100 ASP CA 1 100 ASP C 1 101 PHE N -57.30 -8.10 -31.10 -49.41 -9.36 . . 0 "[ . 1 . ]"
186 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 THR N 114.30 151.50 127.92 147.80 131.63 3.21 4 0 "[ . 1 . ]"
187 . 1 103 GLN N 1 103 GLN CA 1 103 GLN C 1 104 THR N 111.00 162.00 148.30 109.50 163.29 1.50 17 0 "[ . 1 . ]"
188 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 ASP N 108.80 158.40 137.21 115.31 108.84 3.94 18 0 "[ . 1 . ]"
189 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 GLY N -40.00 23.00 13.91 -39.33 27.22 4.22 18 0 "[ . 1 . ]"
190 . 1 106 GLY N 1 106 GLY CA 1 106 GLY C 1 107 SER N -13.80 28.80 -8.15 -14.98 28.73 1.18 3 0 "[ . 1 . ]"
191 . 1 107 SER N 1 107 SER CA 1 107 SER C 1 108 ALA N 101.40 168.60 155.99 167.42 152.29 1.22 16 0 "[ . 1 . ]"
192 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 SER N 115.40 171.00 136.66 143.51 131.14 1.71 15 0 "[ . 1 . ]"
193 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 PRO N 89.10 140.30 108.69 88.13 142.33 2.03 17 0 "[ . 1 . ]"
194 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 PRO N 103.80 177.00 148.80 102.20 177.98 1.60 15 0 "[ . 1 . ]"
195 . 1 111 PRO N 1 111 PRO CA 1 111 PRO C 1 112 PRO N 130.80 161.40 145.75 129.79 162.02 1.01 18 0 "[ . 1 . ]"
196 . 1 113 ALA N 1 113 ALA CA 1 113 ALA C 1 114 PRO N 99.90 171.90 146.28 98.93 172.48 0.97 14 0 "[ . 1 . ]"
197 . 1 114 PRO N 1 114 PRO CA 1 114 PRO C 1 115 LYS N 114.80 165.40 135.10 114.82 167.25 1.85 19 0 "[ . 1 . ]"
198 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C 1 116 HIS N 79.70 157.70 127.58 127.36 111.27 0.56 14 0 "[ . 1 . ]"
199 . 1 116 HIS N 1 116 HIS CA 1 116 HIS C 1 117 HIS N 124.40 153.00 140.31 144.78 139.33 1.27 5 0 "[ . 1 . ]"
200 . 1 117 HIS N 1 117 HIS CA 1 117 HIS C 1 118 HIS N 119.30 158.30 138.95 119.25 159.15 0.85 5 0 "[ . 1 . ]"
201 . 1 118 HIS N 1 118 HIS CA 1 118 HIS C 1 119 ALA N 97.00 154.40 129.79 95.82 155.92 1.52 9 0 "[ . 1 . ]"
202 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 SER N 127.50 168.30 153.26 168.51 168.07 0.69 9 0 "[ . 1 . ]"
203 . 1 120 SER N 1 120 SER CA 1 120 SER C 1 121 LYS N 85.60 146.60 106.14 134.03 118.51 1.07 13 0 "[ . 1 . ]"
204 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 VAL N 91.00 158.60 115.59 140.32 130.90 3.41 19 0 "[ . 1 . ]"
205 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 ASP N 104.00 148.20 130.95 102.82 149.71 1.51 13 0 "[ . 1 . ]"
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