NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
613855 |
5urn   |
30243 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5urn
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 211
_TA_constraint_stats_list.Viol_count 853
_TA_constraint_stats_list.Viol_total 33793.78
_TA_constraint_stats_list.Viol_max 12.90
_TA_constraint_stats_list.Viol_rms 1.51
_TA_constraint_stats_list.Viol_average_all_restraints 0.40
_TA_constraint_stats_list.Viol_average_violations_only 1.98
_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 3 HIS C 1 4 SER N 1 4 SER CA 1 4 SER C -156.90 -107.10 -138.98 -147.30 -128.77 . . 0 "[ . 1 . 2]"
2 . 1 4 SER N 1 4 SER CA 1 4 SER C 1 5 GLY N 135.20 175.20 146.87 144.79 143.46 . . 0 "[ . 1 . 2]"
3 . 1 6 ALA C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -156.80 -108.20 -143.77 -146.33 -140.00 . . 0 "[ . 1 . 2]"
4 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 ILE N 103.20 178.20 153.10 149.96 155.46 . . 0 "[ . 1 . 2]"
5 . 1 7 ALA C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -125.60 -78.80 -111.63 -111.06 -111.54 . . 0 "[ . 1 . 2]"
6 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 PHE N 100.50 140.50 138.86 132.09 141.03 0.53 4 0 "[ . 1 . 2]"
7 . 1 8 ILE C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -148.30 -100.30 -142.93 -148.67 -137.80 0.37 4 0 "[ . 1 . 2]"
8 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 GLU N 100.90 140.90 119.58 115.42 126.78 . . 0 "[ . 1 . 2]"
9 . 1 9 PHE C 1 10 GLU N 1 10 GLU CA 1 10 GLU C 32.80 72.80 62.07 62.49 62.15 . . 0 "[ . 1 . 2]"
10 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 LYS N 23.50 63.50 41.56 40.52 39.90 . . 0 "[ . 1 . 2]"
11 . 1 10 GLU C 1 11 LYS N 1 11 LYS CA 1 11 LYS C 52.70 92.70 69.15 55.56 71.57 . . 0 "[ . 1 . 2]"
12 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 VAL N -8.30 31.70 -5.59 -8.49 3.47 0.19 12 0 "[ . 1 . 2]"
13 . 1 11 LYS C 1 12 VAL N 1 12 VAL CA 1 12 VAL C -132.90 -92.90 -94.52 -93.07 -93.53 0.84 3 0 "[ . 1 . 2]"
14 . 1 12 VAL N 1 12 VAL CA 1 12 VAL C 1 13 SER N 108.10 148.10 119.90 113.99 125.17 . . 0 "[ . 1 . 2]"
15 . 1 14 GLY C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -141.50 -99.50 -125.97 -127.28 -122.69 . . 0 "[ . 1 . 2]"
16 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 ILE N 112.80 152.80 138.17 133.19 140.88 . . 0 "[ . 1 . 2]"
17 . 1 15 ILE C 1 16 ILE N 1 16 ILE CA 1 16 ILE C -140.90 -100.90 -101.11 -103.51 -100.40 0.50 1 0 "[ . 1 . 2]"
18 . 1 16 ILE N 1 16 ILE CA 1 16 ILE C 1 17 ALA N 109.30 149.30 137.25 132.72 140.38 . . 0 "[ . 1 . 2]"
19 . 1 16 ILE C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -135.80 -91.80 -137.12 -137.64 -136.53 1.84 13 0 "[ . 1 . 2]"
20 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 ILE N 105.70 145.70 142.96 145.81 141.88 0.64 15 0 "[ . 1 . 2]"
21 . 1 17 ALA C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -126.80 -86.80 -101.26 -106.49 -96.20 . . 0 "[ . 1 . 2]"
22 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 ASN N 98.20 138.20 134.01 129.59 140.98 2.78 8 0 "[ . 1 . 2]"
23 . 1 18 ILE C 1 19 ASN N 1 19 ASN CA 1 19 ASN C -124.50 -84.50 -102.14 -106.57 -109.66 . . 0 "[ . 1 . 2]"
24 . 1 19 ASN N 1 19 ASN CA 1 19 ASN C 1 20 GLU N 100.20 142.20 104.62 104.79 100.20 0.82 14 0 "[ . 1 . 2]"
25 . 1 19 ASN C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -135.80 -43.80 -122.23 -126.47 -119.72 . . 0 "[ . 1 . 2]"
26 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 ASP N 112.10 166.90 167.81 167.54 167.36 1.49 10 0 "[ . 1 . 2]"
27 . 1 21 ASP C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -162.70 -105.10 -102.59 -102.32 -102.97 3.64 10 0 "[ . 1 . 2]"
28 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 SER N 128.50 177.10 -172.50 -172.87 -173.18 11.46 6 20 [-****+**************]
29 . 1 22 VAL C 1 23 SER N 1 23 SER CA 1 23 SER C -160.10 -85.70 -73.77 -74.04 -74.47 12.90 6 20 [*****+**********-***]
30 . 1 23 SER N 1 23 SER CA 1 23 SER C 1 24 PRO N 104.90 166.90 161.93 160.23 159.91 . . 0 "[ . 1 . 2]"
31 . 1 23 SER C 1 24 PRO N 1 24 PRO CA 1 24 PRO C -92.10 -52.10 -41.39 -41.58 -41.88 11.71 7 20 [******+*********-***]
32 . 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 ALA N 135.30 175.30 129.70 128.77 130.55 6.53 6 19 "[*****+**** *******-*]"
33 . 1 25 ALA C 1 26 GLU N 1 26 GLU CA 1 26 GLU C -156.00 -113.00 -125.66 -125.57 -128.35 . . 0 "[ . 1 . 2]"
34 . 1 26 GLU N 1 26 GLU CA 1 26 GLU C 1 27 LEU N 120.20 168.60 163.96 171.08 141.84 3.82 9 0 "[ . 1 . 2]"
35 . 1 26 GLU C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -144.60 -104.60 -118.82 -129.08 -95.20 9.40 14 5 "[* * . - 1 +. * 2]"
36 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 THR N 105.60 149.60 110.80 121.31 111.16 0.65 8 0 "[ . 1 . 2]"
37 . 1 27 LEU C 1 28 THR N 1 28 THR CA 1 28 THR C -138.10 -98.10 -108.21 -114.55 -102.76 . . 0 "[ . 1 . 2]"
38 . 1 28 THR N 1 28 THR CA 1 28 THR C 1 29 TRP N 107.20 151.20 110.15 108.65 108.42 0.13 3 0 "[ . 1 . 2]"
39 . 1 28 THR C 1 29 TRP N 1 29 TRP CA 1 29 TRP C -141.90 -85.30 -85.93 -84.58 -84.75 0.87 14 0 "[ . 1 . 2]"
40 . 1 29 TRP N 1 29 TRP CA 1 29 TRP C 1 30 ARG N 106.40 150.00 134.95 133.50 131.94 . . 0 "[ . 1 . 2]"
41 . 1 29 TRP C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -153.90 -105.30 -127.04 -125.61 -126.18 . . 0 "[ . 1 . 2]"
42 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 SER N 104.20 179.00 157.75 162.70 160.01 . . 0 "[ . 1 . 2]"
43 . 1 30 ARG C 1 31 SER N 1 31 SER CA 1 31 SER C -95.40 -55.40 -71.16 -77.90 -66.77 . . 0 "[ . 1 . 2]"
44 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 THR N 133.20 -173.40 166.02 169.01 168.34 . . 0 "[ . 1 . 2]"
45 . 1 31 SER C 1 32 THR N 1 32 THR CA 1 32 THR C -79.50 -39.50 -55.01 -57.00 -51.60 . . 0 "[ . 1 . 2]"
46 . 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 ASP N -46.40 -6.40 -27.55 -31.85 -20.08 . . 0 "[ . 1 . 2]"
47 . 1 32 THR C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -99.70 -59.70 -99.33 -101.28 -96.32 1.58 9 0 "[ . 1 . 2]"
48 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 GLY N -31.20 17.60 -30.06 -31.35 -31.55 0.45 1 0 "[ . 1 . 2]"
49 . 1 33 ASP C 1 34 GLY N 1 34 GLY CA 1 34 GLY C 71.30 111.30 100.31 104.58 103.99 . . 0 "[ . 1 . 2]"
50 . 1 34 GLY N 1 34 GLY CA 1 34 GLY C 1 35 ASP N -23.40 16.60 18.03 18.64 18.39 2.34 19 0 "[ . 1 . 2]"
51 . 1 35 ASP C 1 36 LYS N 1 36 LYS CA 1 36 LYS C -160.00 -71.60 -107.67 -106.97 -107.12 . . 0 "[ . 1 . 2]"
52 . 1 36 LYS N 1 36 LYS CA 1 36 LYS C 1 37 VAL N 119.80 161.60 137.95 138.79 138.49 . . 0 "[ . 1 . 2]"
53 . 1 36 LYS C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -148.80 -104.80 -147.14 -149.32 -139.25 0.52 19 0 "[ . 1 . 2]"
54 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 HIS N 117.40 157.40 133.24 132.59 132.50 . . 0 "[ . 1 . 2]"
55 . 1 37 VAL C 1 38 HIS N 1 38 HIS CA 1 38 HIS C -143.50 -103.10 -127.66 -137.03 -120.21 . . 0 "[ . 1 . 2]"
56 . 1 38 HIS N 1 38 HIS CA 1 38 HIS C 1 39 THR N 110.00 150.00 147.00 148.37 147.84 . . 0 "[ . 1 . 2]"
57 . 1 38 HIS C 1 39 THR N 1 39 THR CA 1 39 THR C -128.70 -87.90 -129.21 -129.63 -128.58 0.93 17 0 "[ . 1 . 2]"
58 . 1 39 THR N 1 39 THR CA 1 39 THR C 1 40 VAL N 107.40 147.40 133.02 140.09 131.40 . . 0 "[ . 1 . 2]"
59 . 1 39 THR C 1 40 VAL N 1 40 VAL CA 1 40 VAL C -144.40 -95.40 -118.33 -132.02 -110.97 . . 0 "[ . 1 . 2]"
60 . 1 40 VAL N 1 40 VAL CA 1 40 VAL C 1 41 VAL N 108.40 148.60 107.60 106.95 108.26 1.45 3 0 "[ . 1 . 2]"
61 . 1 40 VAL C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -90.50 -46.50 -81.56 -82.92 -79.52 . . 0 "[ . 1 . 2]"
62 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 LEU N 110.60 150.60 121.11 120.87 118.72 . . 0 "[ . 1 . 2]"
63 . 1 41 VAL C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -79.20 -39.20 -75.70 -75.86 -76.52 0.25 17 0 "[ . 1 . 2]"
64 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 SER N -53.90 -13.90 -21.18 -24.00 -17.56 . . 0 "[ . 1 . 2]"
65 . 1 42 LEU C 1 43 SER N 1 43 SER CA 1 43 SER C -91.20 -51.20 -68.37 -68.52 -69.01 . . 0 "[ . 1 . 2]"
66 . 1 43 SER N 1 43 SER CA 1 43 SER C 1 44 THR N -34.30 5.70 -4.59 -3.64 -3.97 . . 0 "[ . 1 . 2]"
67 . 1 43 SER C 1 44 THR N 1 44 THR CA 1 44 THR C -114.90 -72.50 -115.26 -115.38 -115.51 0.89 1 0 "[ . 1 . 2]"
68 . 1 44 THR N 1 44 THR CA 1 44 THR C 1 45 ILE N -22.00 18.00 4.96 1.95 0.10 . . 0 "[ . 1 . 2]"
69 . 1 44 THR C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -114.50 -74.10 -110.08 -114.68 -102.05 0.18 3 0 "[ . 1 . 2]"
70 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 ASP N 100.50 148.70 141.93 144.62 143.22 . . 0 "[ . 1 . 2]"
71 . 1 45 ILE C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -123.90 -73.30 -110.40 -115.95 -105.32 . . 0 "[ . 1 . 2]"
72 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 LYS N -54.40 -9.00 -46.04 -52.93 -40.09 . . 0 "[ . 1 . 2]"
73 . 1 46 ASP C 1 47 LYS N 1 47 LYS CA 1 47 LYS C -173.70 -133.70 -132.55 -132.32 -132.64 2.50 14 0 "[ . 1 . 2]"
74 . 1 47 LYS N 1 47 LYS CA 1 47 LYS C 1 48 LEU N 134.30 174.30 171.18 166.83 176.47 2.17 15 0 "[ . 1 . 2]"
75 . 1 47 LYS C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -149.80 -105.80 -149.46 -148.46 -149.52 1.42 9 0 "[ . 1 . 2]"
76 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLN N 111.80 151.80 130.83 125.56 137.60 . . 0 "[ . 1 . 2]"
77 . 1 48 LEU C 1 49 GLN N 1 49 GLN CA 1 49 GLN C -155.00 -94.60 -129.80 -135.76 -124.30 . . 0 "[ . 1 . 2]"
78 . 1 49 GLN N 1 49 GLN CA 1 49 GLN C 1 50 ALA N 115.40 165.80 117.91 113.89 125.29 1.51 12 0 "[ . 1 . 2]"
79 . 1 49 GLN C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -154.00 -108.20 -113.96 -115.36 -115.89 . . 0 "[ . 1 . 2]"
80 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 THR N 117.80 170.60 152.12 154.25 153.63 . . 0 "[ . 1 . 2]"
81 . 1 50 ALA C 1 51 THR N 1 51 THR CA 1 51 THR C -100.00 -46.60 -69.00 -77.57 -62.63 . . 0 "[ . 1 . 2]"
82 . 1 51 THR N 1 51 THR CA 1 51 THR C 1 52 PRO N 106.30 167.70 122.14 122.86 122.53 . . 0 "[ . 1 . 2]"
83 . 1 51 THR C 1 52 PRO N 1 52 PRO CA 1 52 PRO C -79.60 -39.60 -56.42 -60.48 -50.00 . . 0 "[ . 1 . 2]"
84 . 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 ALA N 125.80 165.80 163.84 165.55 164.63 0.56 9 0 "[ . 1 . 2]"
85 . 1 52 PRO C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -82.30 -42.30 -73.50 -75.69 -71.26 . . 0 "[ . 1 . 2]"
86 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 SER N -45.20 -5.20 -8.91 -7.64 -7.66 0.67 17 0 "[ . 1 . 2]"
87 . 1 53 ALA C 1 54 SER N 1 54 SER CA 1 54 SER C -111.00 -71.00 -96.76 -102.99 -92.95 . . 0 "[ . 1 . 2]"
88 . 1 54 SER N 1 54 SER CA 1 54 SER C 1 55 SER N -17.90 27.90 -15.41 -17.65 -17.87 0.40 12 0 "[ . 1 . 2]"
89 . 1 54 SER C 1 55 SER N 1 55 SER CA 1 55 SER C -119.20 -38.40 -73.06 -72.15 -72.94 . . 0 "[ . 1 . 2]"
90 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 GLU N 103.90 170.90 139.78 140.27 139.75 . . 0 "[ . 1 . 2]"
91 . 1 57 LYS C 1 58 MET N 1 58 MET CA 1 58 MET C -144.40 -76.00 -123.82 -133.31 -116.18 . . 0 "[ . 1 . 2]"
92 . 1 58 MET N 1 58 MET CA 1 58 MET C 1 59 MET N 102.50 162.50 98.04 97.86 97.85 6.66 19 4 "[ . * .-* +2]"
93 . 1 58 MET C 1 59 MET N 1 59 MET CA 1 59 MET C -159.80 -99.80 -155.92 -156.54 -157.21 . . 0 "[ . 1 . 2]"
94 . 1 59 MET N 1 59 MET CA 1 59 MET C 1 60 LEU N 125.60 165.60 156.24 150.85 162.78 . . 0 "[ . 1 . 2]"
95 . 1 59 MET C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -151.00 -111.00 -136.42 -140.61 -142.06 . . 0 "[ . 1 . 2]"
96 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ARG N 120.80 164.80 119.07 118.31 120.16 2.49 20 0 "[ . 1 . 2]"
97 . 1 60 LEU C 1 61 ARG N 1 61 ARG CA 1 61 ARG C -145.70 -101.50 -101.98 -106.13 -99.91 1.59 1 0 "[ . 1 . 2]"
98 . 1 61 ARG N 1 61 ARG CA 1 61 ARG C 1 62 LEU N 111.30 151.30 145.49 146.36 145.99 . . 0 "[ . 1 . 2]"
99 . 1 61 ARG C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -127.50 -87.50 -126.66 -127.00 -127.86 0.91 18 0 "[ . 1 . 2]"
100 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 ILE N 102.70 142.70 106.46 102.32 114.10 0.38 9 0 "[ . 1 . 2]"
101 . 1 62 LEU C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -125.60 -85.60 -86.47 -90.55 -93.62 0.65 2 0 "[ . 1 . 2]"
102 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 GLY N 99.10 145.10 134.21 128.76 125.27 0.04 18 0 "[ . 1 . 2]"
103 . 1 63 ILE C 1 64 GLY N 1 64 GLY CA 1 64 GLY C -177.40 -37.40 -91.33 -100.49 -84.65 . . 0 "[ . 1 . 2]"
104 . 1 64 GLY N 1 64 GLY CA 1 64 GLY C 1 65 LYS N 114.90 -160.70 162.69 139.36 170.98 . . 0 "[ . 1 . 2]"
105 . 1 64 GLY C 1 65 LYS N 1 65 LYS CA 1 65 LYS C -91.80 -51.80 -83.43 -81.40 -83.79 0.20 19 0 "[ . 1 . 2]"
106 . 1 65 LYS N 1 65 LYS CA 1 65 LYS C 1 66 VAL N 109.90 169.90 121.73 119.61 118.55 . . 0 "[ . 1 . 2]"
107 . 1 65 LYS C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -118.20 -48.20 -112.15 -105.69 -118.76 4.88 15 0 "[ . 1 . 2]"
108 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 ASP N 110.60 164.20 141.56 132.08 151.70 . . 0 "[ . 1 . 2]"
109 . 1 66 VAL C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -106.40 -54.00 -97.35 -106.86 -87.99 0.46 14 0 "[ . 1 . 2]"
110 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 GLU N 79.30 146.30 95.11 78.77 108.09 0.53 9 0 "[ . 1 . 2]"
111 . 1 67 ASP C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -84.40 -44.40 -82.84 -85.38 -85.64 2.55 14 0 "[ . 1 . 2]"
112 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 SER N -42.70 -2.70 -1.78 -1.55 -1.78 1.59 10 0 "[ . 1 . 2]"
113 . 1 68 GLU C 1 69 SER N 1 69 SER CA 1 69 SER C -92.80 -52.80 -77.76 -83.66 -68.96 . . 0 "[ . 1 . 2]"
114 . 1 69 SER N 1 69 SER CA 1 69 SER C 1 70 LYS N -37.40 2.60 -9.76 -22.95 2.68 0.08 20 0 "[ . 1 . 2]"
115 . 1 70 LYS C 1 71 LYS N 1 71 LYS CA 1 71 LYS C -93.90 -49.90 -55.78 -100.71 -44.64 6.81 13 4 "[ .* 1* + . - 2]"
116 . 1 71 LYS N 1 71 LYS CA 1 71 LYS C 1 72 ARG N 117.00 157.00 124.25 135.60 131.95 0.38 15 0 "[ . 1 . 2]"
117 . 1 71 LYS C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -141.00 -61.60 -105.64 -123.19 -98.49 . . 0 "[ . 1 . 2]"
118 . 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 LYS N 105.80 167.40 151.08 154.98 154.56 . . 0 "[ . 1 . 2]"
119 . 1 72 ARG C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -145.80 -67.00 -126.22 -127.66 -128.28 . . 0 "[ . 1 . 2]"
120 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 ASP N 109.70 164.90 142.58 135.06 148.05 . . 0 "[ . 1 . 2]"
121 . 1 73 LYS C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -102.90 -62.90 -83.08 -81.61 -82.50 . . 0 "[ . 1 . 2]"
122 . 1 74 ASP C 1 75 ASN N 1 75 ASN CA 1 75 ASN C -92.30 -52.30 -56.53 -55.80 -56.07 . . 0 "[ . 1 . 2]"
123 . 1 75 ASN N 1 75 ASN CA 1 75 ASN C 1 76 GLU N -31.00 9.00 -31.80 -32.19 -32.42 1.47 11 0 "[ . 1 . 2]"
124 . 1 79 GLU C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -128.30 -77.10 -119.77 -128.64 -106.78 0.34 10 0 "[ . 1 . 2]"
125 . 1 80 VAL N 1 80 VAL CA 1 80 VAL C 1 81 VAL N 102.20 146.20 101.39 98.91 119.60 3.29 11 0 "[ . 1 . 2]"
126 . 1 80 VAL C 1 81 VAL N 1 81 VAL CA 1 81 VAL C -136.60 -46.60 -94.65 -100.01 -88.44 . . 0 "[ . 1 . 2]"
127 . 1 81 VAL N 1 81 VAL CA 1 81 VAL C 1 82 PRO N 96.40 162.00 126.80 127.66 127.36 . . 0 "[ . 1 . 2]"
128 . 1 81 VAL C 1 82 PRO N 1 82 PRO CA 1 82 PRO C -82.90 -42.90 -63.21 -58.48 -59.27 . . 0 "[ . 1 . 2]"
129 . 1 82 PRO N 1 82 PRO CA 1 82 PRO C 1 83 LYS N 120.50 171.90 130.79 129.98 129.25 . . 0 "[ . 1 . 2]"
130 . 1 82 PRO C 1 83 LYS N 1 83 LYS CA 1 83 LYS C -94.20 -47.80 -95.08 -89.02 -94.55 2.83 11 0 "[ . 1 . 2]"
131 . 1 83 LYS N 1 83 LYS CA 1 83 LYS C 1 84 PRO N 115.80 169.80 156.95 154.88 151.86 . . 0 "[ . 1 . 2]"
132 . 1 83 LYS C 1 84 PRO N 1 84 PRO CA 1 84 PRO C -86.60 -46.60 -67.77 -66.87 -68.66 . . 0 "[ . 1 . 2]"
133 . 1 84 PRO N 1 84 PRO CA 1 84 PRO C 1 85 GLN N 127.10 167.10 151.69 147.03 162.64 . . 0 "[ . 1 . 2]"
134 . 1 84 PRO C 1 85 GLN N 1 85 GLN CA 1 85 GLN C -90.80 -49.00 -92.47 -93.82 -89.96 3.02 5 0 "[ . 1 . 2]"
135 . 1 85 GLN N 1 85 GLN CA 1 85 GLN C 1 86 ARG N 116.70 162.50 137.40 116.54 163.29 0.79 14 0 "[ . 1 . 2]"
136 . 1 85 GLN C 1 86 ARG N 1 86 ARG CA 1 86 ARG C -154.70 -96.50 -119.58 -152.99 -109.46 . . 0 "[ . 1 . 2]"
137 . 1 86 ARG N 1 86 ARG CA 1 86 ARG C 1 87 HIS N 113.10 158.30 129.43 114.52 153.47 . . 0 "[ . 1 . 2]"
138 . 1 86 ARG C 1 87 HIS N 1 87 HIS CA 1 87 HIS C -154.00 -97.40 -107.67 -102.01 -105.71 0.44 10 0 "[ . 1 . 2]"
139 . 1 87 HIS N 1 87 HIS CA 1 87 HIS C 1 88 MET N 113.60 157.80 115.25 110.63 155.79 2.97 4 0 "[ . 1 . 2]"
140 . 1 87 HIS C 1 88 MET N 1 88 MET CA 1 88 MET C -139.40 -97.60 -103.14 -139.83 -96.34 1.26 11 0 "[ . 1 . 2]"
141 . 1 88 MET N 1 88 MET CA 1 88 MET C 1 89 PHE N 109.90 149.90 141.54 135.68 149.70 . . 0 "[ . 1 . 2]"
142 . 1 88 MET C 1 89 PHE N 1 89 PHE CA 1 89 PHE C -149.00 -109.00 -130.14 -135.18 -135.94 . . 0 "[ . 1 . 2]"
143 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 SER N 125.50 165.50 137.13 125.45 165.72 0.22 4 0 "[ . 1 . 2]"
144 . 1 89 PHE C 1 90 SER N 1 90 SER CA 1 90 SER C -151.80 -81.80 -93.03 -83.61 -83.87 0.04 20 0 "[ . 1 . 2]"
145 . 1 90 SER N 1 90 SER CA 1 90 SER C 1 91 PHE N 119.70 159.70 142.98 146.23 145.66 . . 0 "[ . 1 . 2]"
146 . 1 90 SER C 1 91 PHE N 1 91 PHE CA 1 91 PHE C -156.70 -115.30 -126.67 -129.61 -117.01 . . 0 "[ . 1 . 2]"
147 . 1 91 PHE N 1 91 PHE CA 1 91 PHE C 1 92 ASN N 126.80 175.20 175.86 173.61 176.55 1.35 10 0 "[ . 1 . 2]"
148 . 1 92 ASN C 1 93 ASN N 1 93 ASN CA 1 93 ASN C -167.70 -67.70 -143.56 -151.24 -137.62 . . 0 "[ . 1 . 2]"
149 . 1 93 ASN N 1 93 ASN CA 1 93 ASN C 1 94 ARG N 103.20 143.20 139.76 143.77 143.69 0.72 9 0 "[ . 1 . 2]"
150 . 1 93 ASN C 1 94 ARG N 1 94 ARG CA 1 94 ARG C -82.10 -42.10 -74.20 -80.97 -56.06 . . 0 "[ . 1 . 2]"
151 . 1 94 ARG N 1 94 ARG CA 1 94 ARG C 1 95 THR N -58.60 -18.60 -20.66 -18.38 -18.39 0.60 15 0 "[ . 1 . 2]"
152 . 1 94 ARG C 1 95 THR N 1 95 THR CA 1 95 THR C -83.80 -43.80 -75.80 -78.21 -71.05 . . 0 "[ . 1 . 2]"
153 . 1 95 THR N 1 95 THR CA 1 95 THR C 1 96 VAL N -59.70 -19.70 -22.88 -33.52 -19.07 0.63 18 0 "[ . 1 . 2]"
154 . 1 95 THR C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -87.10 -47.10 -79.98 -82.30 -82.57 . . 0 "[ . 1 . 2]"
155 . 1 96 VAL N 1 96 VAL CA 1 96 VAL C 1 97 MET N -62.40 -22.40 -62.13 -63.16 -57.93 0.76 2 0 "[ . 1 . 2]"
156 . 1 96 VAL C 1 97 MET N 1 97 MET CA 1 97 MET C -82.40 -42.40 -47.42 -49.66 -43.78 . . 0 "[ . 1 . 2]"
157 . 1 97 MET N 1 97 MET CA 1 97 MET C 1 98 ASP N -64.00 -24.00 -38.24 -39.63 -39.75 . . 0 "[ . 1 . 2]"
158 . 1 97 MET C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -85.80 -45.80 -72.86 -69.93 -70.29 . . 0 "[ . 1 . 2]"
159 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 ASN N -57.30 -17.30 -25.52 -35.23 -20.77 . . 0 "[ . 1 . 2]"
160 . 1 98 ASP C 1 99 ASN N 1 99 ASN CA 1 99 ASN C -86.50 -46.50 -85.15 -88.10 -76.29 1.60 13 0 "[ . 1 . 2]"
161 . 1 99 ASN N 1 99 ASN CA 1 99 ASN C 1 100 ILE N -60.80 -20.80 -32.47 -31.31 -32.14 . . 0 "[ . 1 . 2]"
162 . 1 99 ASN C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -87.20 -47.20 -71.74 -79.58 -66.72 . . 0 "[ . 1 . 2]"
163 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 LYS N -58.50 -16.50 -53.89 -55.76 -51.76 . . 0 "[ . 1 . 2]"
164 . 1 100 ILE C 1 101 LYS N 1 101 LYS CA 1 101 LYS C -82.30 -42.30 -52.05 -52.78 -53.55 . . 0 "[ . 1 . 2]"
165 . 1 101 LYS N 1 101 LYS CA 1 101 LYS C 1 102 MET N -62.10 -22.10 -42.97 -51.12 -40.06 . . 0 "[ . 1 . 2]"
166 . 1 101 LYS C 1 102 MET N 1 102 MET CA 1 102 MET C -85.70 -45.70 -54.85 -60.65 -51.65 . . 0 "[ . 1 . 2]"
167 . 1 102 MET N 1 102 MET CA 1 102 MET C 1 103 THR N -58.60 -18.60 -53.79 -59.52 -49.40 0.92 17 0 "[ . 1 . 2]"
168 . 1 102 MET C 1 103 THR N 1 103 THR CA 1 103 THR C -87.00 -47.00 -58.05 -60.15 -60.48 . . 0 "[ . 1 . 2]"
169 . 1 103 THR N 1 103 THR CA 1 103 THR C 1 104 LEU N -62.10 -22.10 -58.34 -61.09 -56.51 . . 0 "[ . 1 . 2]"
170 . 1 103 THR C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -85.10 -45.10 -43.61 -43.54 -43.66 2.00 8 0 "[ . 1 . 2]"
171 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 GLN N -61.00 -21.00 -58.99 -60.75 -57.28 . . 0 "[ . 1 . 2]"
172 . 1 104 LEU C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -83.20 -43.20 -51.51 -50.35 -50.38 . . 0 "[ . 1 . 2]"
173 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 GLN N -60.30 -20.30 -31.53 -33.92 -28.34 . . 0 "[ . 1 . 2]"
174 . 1 105 GLN C 1 106 GLN N 1 106 GLN CA 1 106 GLN C -86.10 -46.10 -82.56 -82.65 -83.29 0.22 9 0 "[ . 1 . 2]"
175 . 1 106 GLN N 1 106 GLN CA 1 106 GLN C 1 107 ILE N -61.30 -21.30 -20.47 -20.30 -20.31 1.58 12 0 "[ . 1 . 2]"
176 . 1 106 GLN C 1 107 ILE N 1 107 ILE CA 1 107 ILE C -85.00 -45.00 -83.23 -85.62 -80.84 0.62 20 0 "[ . 1 . 2]"
177 . 1 107 ILE N 1 107 ILE CA 1 107 ILE C 1 108 ILE N -64.90 -24.90 -42.40 -43.82 -44.83 . . 0 "[ . 1 . 2]"
178 . 1 107 ILE C 1 108 ILE N 1 108 ILE CA 1 108 ILE C -82.70 -42.70 -70.64 -78.10 -64.18 . . 0 "[ . 1 . 2]"
179 . 1 108 ILE N 1 108 ILE CA 1 108 ILE C 1 109 SER N -60.00 -20.00 -36.75 -50.37 -33.09 . . 0 "[ . 1 . 2]"
180 . 1 108 ILE C 1 109 SER N 1 109 SER CA 1 109 SER C -85.70 -45.70 -64.07 -64.26 -64.84 . . 0 "[ . 1 . 2]"
181 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 ARG N -57.10 -17.10 -17.83 -18.31 -18.82 2.41 15 0 "[ . 1 . 2]"
182 . 1 109 SER C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -89.10 -49.10 -77.01 -78.14 -78.61 . . 0 "[ . 1 . 2]"
183 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 TYR N -53.40 -13.40 -41.39 -43.66 -32.53 . . 0 "[ . 1 . 2]"
184 . 1 110 ARG C 1 111 TYR N 1 111 TYR CA 1 111 TYR C -128.50 -75.50 -83.78 -82.46 -83.87 . . 0 "[ . 1 . 2]"
185 . 1 111 TYR N 1 111 TYR CA 1 111 TYR C 1 112 LYS N -28.90 38.70 -2.56 -11.17 1.29 . . 0 "[ . 1 . 2]"
186 . 1 112 LYS C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -102.80 -60.20 -91.55 -98.04 -86.46 . . 0 "[ . 1 . 2]"
187 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 ALA N -37.20 17.40 -27.35 -23.20 -32.36 . . 0 "[ . 1 . 2]"
188 . 2 14 GLU C 2 15 ASP N 2 15 ASP CA 2 15 ASP C -115.00 -45.00 -99.24 -116.88 -70.78 1.88 14 0 "[ . 1 . 2]"
189 . 2 15 ASP N 2 15 ASP CA 2 15 ASP C 2 16 PHE N -60.00 8.00 -13.50 0.47 -10.28 1.26 12 0 "[ . 1 . 2]"
190 . 2 15 ASP C 2 16 PHE N 2 16 PHE CA 2 16 PHE C -117.00 -47.00 -92.29 -91.84 -92.97 . . 0 "[ . 1 . 2]"
191 . 2 16 PHE N 2 16 PHE CA 2 16 PHE C 2 17 SER N -59.00 11.00 -11.15 -42.10 -1.29 . . 0 "[ . 1 . 2]"
192 . 2 16 PHE C 2 17 SER N 2 17 SER CA 2 17 SER C -111.00 -39.00 -87.67 -101.29 -80.60 . . 0 "[ . 1 . 2]"
193 . 2 17 SER N 2 17 SER CA 2 17 SER C 2 18 SER N -56.00 -4.00 -5.38 -4.19 -6.63 0.89 16 0 "[ . 1 . 2]"
194 . 2 17 SER C 2 18 SER N 2 18 SER CA 2 18 SER C -97.00 -47.00 -85.14 -89.14 -74.14 . . 0 "[ . 1 . 2]"
195 . 2 18 SER N 2 18 SER CA 2 18 SER C 2 19 ILE N -56.00 -8.00 -33.72 -33.99 -34.22 . . 0 "[ . 1 . 2]"
196 . 2 18 SER C 2 19 ILE N 2 19 ILE CA 2 19 ILE C -91.00 -47.00 -88.82 -91.70 -84.38 0.70 2 0 "[ . 1 . 2]"
197 . 2 19 ILE N 2 19 ILE CA 2 19 ILE C 2 20 ALA N -65.00 -1.00 -22.44 -27.81 -14.75 . . 0 "[ . 1 . 2]"
198 . 2 20 ALA C 2 21 ASP N 2 21 ASP CA 2 21 ASP C -115.00 -45.00 -93.55 -100.61 -87.27 . . 0 "[ . 1 . 2]"
199 . 2 21 ASP N 2 21 ASP CA 2 21 ASP C 2 22 MET N -58.00 10.00 -29.92 -33.85 -23.90 . . 0 "[ . 1 . 2]"
200 . 2 21 ASP C 2 22 MET N 2 22 MET CA 2 22 MET C -114.00 -42.00 -73.45 -72.18 -73.03 . . 0 "[ . 1 . 2]"
201 . 2 22 MET N 2 22 MET CA 2 22 MET C 2 23 ASP N -59.00 9.00 -19.42 -25.63 -15.71 . . 0 "[ . 1 . 2]"
202 . 2 22 MET C 2 23 ASP N 2 23 ASP CA 2 23 ASP C -89.00 -49.00 -77.59 -75.11 -77.28 . . 0 "[ . 1 . 2]"
203 . 2 23 ASP N 2 23 ASP CA 2 23 ASP C 2 24 PHE N -59.00 -21.00 -32.46 -38.52 -27.56 . . 0 "[ . 1 . 2]"
204 . 2 23 ASP C 2 24 PHE N 2 24 PHE CA 2 24 PHE C -84.00 -46.00 -82.66 -82.56 -83.18 0.99 7 0 "[ . 1 . 2]"
205 . 2 24 PHE N 2 24 PHE CA 2 24 PHE C 2 25 SER N -66.00 -2.00 -25.13 -43.04 -17.19 . . 0 "[ . 1 . 2]"
206 . 2 24 PHE C 2 25 SER N 2 25 SER CA 2 25 SER C -86.00 -46.00 -77.94 -71.81 -76.15 0.64 17 0 "[ . 1 . 2]"
207 . 2 25 SER N 2 25 SER CA 2 25 SER C 2 26 ALA N -57.00 -17.00 -22.17 -31.36 -16.58 0.42 12 0 "[ . 1 . 2]"
208 . 2 25 SER C 2 26 ALA N 2 26 ALA CA 2 26 ALA C -91.00 -47.00 -90.21 -91.49 -79.78 0.49 4 0 "[ . 1 . 2]"
209 . 2 26 ALA N 2 26 ALA CA 2 26 ALA C 2 27 LEU N -66.00 0.00 -15.68 -11.44 -11.63 . . 0 "[ . 1 . 2]"
210 . 2 26 ALA C 2 27 LEU N 2 27 LEU CA 2 27 LEU C -86.00 -48.00 -86.71 -87.07 -87.22 1.74 5 0 "[ . 1 . 2]"
211 . 2 27 LEU N 2 27 LEU CA 2 27 LEU C 2 28 LEU N -69.00 -1.00 -33.26 -34.96 -35.68 . . 0 "[ . 1 . 2]"
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