NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439867 |
2k78   |
15913 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k78
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 208
_TA_constraint_stats_list.Viol_count 493
_TA_constraint_stats_list.Viol_total 15501.86
_TA_constraint_stats_list.Viol_max 4.45
_TA_constraint_stats_list.Viol_rms 0.41
_TA_constraint_stats_list.Viol_average_all_restraints 0.08
_TA_constraint_stats_list.Viol_average_violations_only 1.05
_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 27 ASP C 1 28 SER N 1 28 SER CA 1 28 SER C 171.00 -93.00 -160.05 -160.86 -160.98 . . 0 "[ . 1 . 2 . 3]"
2 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 GLY N 119.00 -157.00 148.10 146.01 144.48 . . 0 "[ . 1 . 2 . 3]"
3 . 1 29 GLY C 1 30 THR N 1 30 THR CA 1 30 THR C -171.00 -81.00 -90.30 -149.22 -87.45 . . 0 "[ . 1 . 2 . 3]"
4 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 LEU N 93.00 -171.00 108.81 106.59 105.96 . . 0 "[ . 1 . 2 . 3]"
5 . 1 30 THR C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -174.00 -72.00 -94.85 -95.88 -93.55 . . 0 "[ . 1 . 2 . 3]"
6 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 ASN N 98.00 158.00 152.96 131.83 159.12 1.12 5 0 "[ . 1 . 2 . 3]"
7 . 1 31 LEU C 1 32 ASN N 1 32 ASN CA 1 32 ASN C -160.00 -46.00 -79.76 -81.91 -78.35 . . 0 "[ . 1 . 2 . 3]"
8 . 1 32 ASN N 1 32 ASN CA 1 32 ASN C 1 33 TYR N 99.00 159.00 139.04 143.68 141.69 . . 0 "[ . 1 . 2 . 3]"
9 . 1 32 ASN C 1 33 TYR N 1 33 TYR CA 1 33 TYR C 161.00 -79.00 -165.73 -164.92 -164.94 . . 0 "[ . 1 . 2 . 3]"
10 . 1 33 TYR N 1 33 TYR CA 1 33 TYR C 1 34 GLU N 120.00 -168.00 160.06 150.75 174.18 . . 0 "[ . 1 . 2 . 3]"
11 . 1 33 TYR C 1 34 GLU N 1 34 GLU CA 1 34 GLU C -168.00 -114.00 -155.42 -155.47 -155.52 . . 0 "[ . 1 . 2 . 3]"
12 . 1 34 GLU N 1 34 GLU CA 1 34 GLU C 1 35 VAL N 98.00 -166.00 -173.73 -175.76 -175.80 0.39 14 0 "[ . 1 . 2 . 3]"
13 . 1 34 GLU C 1 35 VAL N 1 35 VAL CA 1 35 VAL C 163.60 -38.80 -139.33 -142.16 -101.08 . . 0 "[ . 1 . 2 . 3]"
14 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 TYR N 61.60 -167.60 160.86 173.67 173.22 . . 0 "[ . 1 . 2 . 3]"
15 . 1 35 VAL C 1 36 TYR N 1 36 TYR CA 1 36 TYR C -158.00 -60.40 -135.88 -150.41 -89.04 . . 0 "[ . 1 . 2 . 3]"
16 . 1 36 TYR N 1 36 TYR CA 1 36 TYR C 1 37 LYS N 63.80 -164.60 158.54 160.57 160.19 . . 0 "[ . 1 . 2 . 3]"
17 . 1 36 TYR C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -123.70 -52.70 -67.72 -68.35 -66.99 . . 0 "[ . 1 . 2 . 3]"
18 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 TYR N 69.60 179.20 130.62 119.97 145.81 . . 0 "[ . 1 . 2 . 3]"
19 . 1 38 TYR C 1 39 ASN N 1 39 ASN CA 1 39 ASN C 20.00 100.00 71.28 72.32 72.02 . . 0 "[ . 1 . 2 . 3]"
20 . 1 39 ASN C 1 40 THR N 1 40 THR CA 1 40 THR C 167.00 -61.00 -136.75 -136.38 -136.62 . . 0 "[ . 1 . 2 . 3]"
21 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 ASN N 112.00 -140.00 -165.19 -164.52 -165.49 . . 0 "[ . 1 . 2 . 3]"
22 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 THR N 60.00 180.00 131.82 121.47 120.65 . . 0 "[ . 1 . 2 . 3]"
23 . 1 42 ASP C 1 43 THR N 1 43 THR CA 1 43 THR C -126.00 -42.00 -61.69 -79.83 -48.82 . . 0 "[ . 1 . 2 . 3]"
24 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 SER N 99.00 159.00 131.32 131.37 131.30 . . 0 "[ . 1 . 2 . 3]"
25 . 1 43 THR C 1 44 SER N 1 44 SER CA 1 44 SER C -129.00 -69.00 -129.18 -128.76 -128.97 0.84 19 0 "[ . 1 . 2 . 3]"
26 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 ILE N -15.00 45.00 -17.85 -17.25 -17.32 4.36 19 0 "[ . 1 . 2 . 3]"
27 . 1 44 SER C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -135.00 -45.00 -137.79 -139.45 -136.18 4.45 19 0 "[ . 1 . 2 . 3]"
28 . 1 45 ILE C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -105.50 -45.50 -51.83 -81.94 -45.01 0.49 19 0 "[ . 1 . 2 . 3]"
29 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 ASN N -84.70 18.30 -22.26 -22.99 -24.09 . . 0 "[ . 1 . 2 . 3]"
30 . 1 46 ALA C 1 47 ASN N 1 47 ASN CA 1 47 ASN C -111.90 -23.90 -63.95 -75.68 -46.65 . . 0 "[ . 1 . 2 . 3]"
31 . 1 47 ASN N 1 47 ASN CA 1 47 ASN C 1 48 ASP N -69.30 -9.30 -18.58 -10.87 -13.02 0.33 16 0 "[ . 1 . 2 . 3]"
32 . 1 47 ASN C 1 48 ASP N 1 48 ASP CA 1 48 ASP C -102.10 -41.30 -98.90 -103.16 -73.32 1.06 14 0 "[ . 1 . 2 . 3]"
33 . 1 48 ASP N 1 48 ASP CA 1 48 ASP C 1 49 TYR N -63.50 14.90 13.16 14.90 14.85 0.99 20 0 "[ . 1 . 2 . 3]"
34 . 1 48 ASP C 1 49 TYR N 1 49 TYR CA 1 49 TYR C 140.00 -20.00 -130.39 -136.87 -138.79 . . 0 "[ . 1 . 2 . 3]"
35 . 1 49 TYR C 1 50 PHE N 1 50 PHE CA 1 50 PHE C -132.00 -48.00 -122.33 -127.07 -128.94 0.62 27 0 "[ . 1 . 2 . 3]"
36 . 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 ASN N 68.00 176.00 114.13 108.75 107.46 . . 0 "[ . 1 . 2 . 3]"
37 . 1 50 PHE C 1 51 ASN N 1 51 ASN CA 1 51 ASN C -131.40 -27.20 -72.87 -72.03 -72.14 . . 0 "[ . 1 . 2 . 3]"
38 . 1 51 ASN N 1 51 ASN CA 1 51 ASN C 1 52 LYS N 98.00 -178.00 143.91 103.28 173.05 . . 0 "[ . 1 . 2 . 3]"
39 . 1 51 ASN C 1 52 LYS N 1 52 LYS CA 1 52 LYS C 171.30 -16.90 -129.73 -147.30 -147.52 . . 0 "[ . 1 . 2 . 3]"
40 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 PRO N 120.00 -160.00 162.73 164.06 163.35 . . 0 "[ . 1 . 2 . 3]"
41 . 1 52 LYS C 1 53 PRO N 1 53 PRO CA 1 53 PRO C -174.00 24.00 -79.38 -80.84 -81.25 . . 0 "[ . 1 . 2 . 3]"
42 . 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 ALA N 124.00 -176.00 -175.73 -175.58 -175.64 1.16 3 0 "[ . 1 . 2 . 3]"
43 . 1 53 PRO C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -175.20 -73.80 -102.27 -102.53 -103.10 . . 0 "[ . 1 . 2 . 3]"
44 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 LYS N 100.90 -172.30 170.04 162.43 -171.46 0.84 17 0 "[ . 1 . 2 . 3]"
45 . 1 55 LYS C 1 56 TYR N 1 56 TYR CA 1 56 TYR C 178.70 -91.50 -97.23 -98.47 -95.83 . . 0 "[ . 1 . 2 . 3]"
46 . 1 56 TYR N 1 56 TYR CA 1 56 TYR C 1 57 ILE N 110.80 177.00 163.22 158.73 167.10 . . 0 "[ . 1 . 2 . 3]"
47 . 1 56 TYR C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -178.60 -88.60 -155.31 -157.07 -154.00 . . 0 "[ . 1 . 2 . 3]"
48 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 LYS N 104.90 166.70 136.95 109.81 158.93 . . 0 "[ . 1 . 2 . 3]"
49 . 1 57 ILE C 1 58 LYS N 1 58 LYS CA 1 58 LYS C -177.80 -59.20 -135.90 -131.87 -133.35 . . 0 "[ . 1 . 2 . 3]"
50 . 1 58 LYS N 1 58 LYS CA 1 58 LYS C 1 59 LYS N 93.10 173.50 147.10 174.00 173.85 0.81 3 0 "[ . 1 . 2 . 3]"
51 . 1 58 LYS C 1 59 LYS N 1 59 LYS CA 1 59 LYS C 130.20 -40.00 -128.68 -162.03 -93.61 . . 0 "[ . 1 . 2 . 3]"
52 . 1 59 LYS N 1 59 LYS CA 1 59 LYS C 1 60 ASN N 62.60 -168.00 62.41 61.57 65.39 1.03 17 0 "[ . 1 . 2 . 3]"
53 . 1 59 LYS C 1 60 ASN N 1 60 ASN CA 1 60 ASN C 30.00 90.00 48.71 47.53 46.99 . . 0 "[ . 1 . 2 . 3]"
54 . 1 60 ASN C 1 61 GLY N 1 61 GLY CA 1 61 GLY C 20.00 100.00 95.14 74.89 101.11 1.11 23 0 "[ . 1 . 2 . 3]"
55 . 1 61 GLY C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -173.00 -59.00 -159.37 -166.12 -167.15 0.70 7 0 "[ . 1 . 2 . 3]"
56 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 LEU N 101.00 -139.00 159.56 163.51 163.17 . . 0 "[ . 1 . 2 . 3]"
57 . 1 62 LYS C 1 63 LEU N 1 63 LEU CA 1 63 LEU C 178.10 -41.70 -165.98 -174.60 -154.27 . . 0 "[ . 1 . 2 . 3]"
58 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 TYR N 100.40 175.80 148.31 135.99 158.00 . . 0 "[ . 1 . 2 . 3]"
59 . 1 63 LEU C 1 64 TYR N 1 64 TYR CA 1 64 TYR C -158.00 -81.20 -140.48 -143.85 -137.47 . . 0 "[ . 1 . 2 . 3]"
60 . 1 64 TYR N 1 64 TYR CA 1 64 TYR C 1 65 VAL N 90.10 -150.30 -168.07 170.41 -153.70 . . 0 "[ . 1 . 2 . 3]"
61 . 1 64 TYR C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -169.90 -101.70 -163.09 -170.68 -170.73 0.83 1 0 "[ . 1 . 2 . 3]"
62 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 GLN N 112.20 -170.00 139.90 124.82 167.49 . . 0 "[ . 1 . 2 . 3]"
63 . 1 65 VAL C 1 66 GLN N 1 66 GLN CA 1 66 GLN C -143.30 -83.30 -103.84 -141.61 -96.37 . . 0 "[ . 1 . 2 . 3]"
64 . 1 66 GLN N 1 66 GLN CA 1 66 GLN C 1 67 ILE N 88.30 -176.70 134.79 133.49 133.12 . . 0 "[ . 1 . 2 . 3]"
65 . 1 66 GLN C 1 67 ILE N 1 67 ILE CA 1 67 ILE C 169.60 -43.80 -113.26 -117.98 -108.73 . . 0 "[ . 1 . 2 . 3]"
66 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 THR N 106.50 148.30 136.33 128.16 147.47 . . 0 "[ . 1 . 2 . 3]"
67 . 1 67 ILE C 1 68 THR N 1 68 THR CA 1 68 THR C -136.10 -83.70 -89.03 -91.04 -87.52 . . 0 "[ . 1 . 2 . 3]"
68 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 VAL N 112.50 159.10 128.81 116.57 141.70 . . 0 "[ . 1 . 2 . 3]"
69 . 1 68 THR C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -176.50 -78.30 -103.81 -102.68 -102.92 . . 0 "[ . 1 . 2 . 3]"
70 . 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 ASN N 100.90 -176.70 133.84 119.63 150.41 . . 0 "[ . 1 . 2 . 3]"
71 . 1 69 VAL C 1 70 ASN N 1 70 ASN CA 1 70 ASN C 145.30 -43.90 -99.96 -102.28 -97.99 . . 0 "[ . 1 . 2 . 3]"
72 . 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 HIS N 127.00 179.20 137.38 126.85 156.26 0.15 16 0 "[ . 1 . 2 . 3]"
73 . 1 70 ASN C 1 71 HIS N 1 71 HIS CA 1 71 HIS C 25.00 95.00 57.28 55.85 55.04 . . 0 "[ . 1 . 2 . 3]"
74 . 1 71 HIS C 1 72 SER N 1 72 SER CA 1 72 SER C -92.00 -32.00 -66.48 -74.37 -74.39 . . 0 "[ . 1 . 2 . 3]"
75 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 HIS N -65.30 -3.90 -30.16 -31.68 -32.62 . . 0 "[ . 1 . 2 . 3]"
76 . 1 72 SER C 1 73 HIS N 1 73 HIS CA 1 73 HIS C -110.00 -10.00 -62.19 -84.00 -50.76 . . 0 "[ . 1 . 2 . 3]"
77 . 1 73 HIS C 1 74 TRP N 1 74 TRP CA 1 74 TRP C 147.10 -29.30 -69.17 -83.60 -92.48 . . 0 "[ . 1 . 2 . 3]"
78 . 1 74 TRP C 1 75 ILE N 1 75 ILE CA 1 75 ILE C -160.00 -34.00 -88.65 -89.31 -89.51 . . 0 "[ . 1 . 2 . 3]"
79 . 1 75 ILE N 1 75 ILE CA 1 75 ILE C 1 76 THR N 107.00 167.00 119.99 114.01 126.30 . . 0 "[ . 1 . 2 . 3]"
80 . 1 75 ILE C 1 76 THR N 1 76 THR CA 1 76 THR C -120.00 -40.00 -87.02 -87.46 -87.60 . . 0 "[ . 1 . 2 . 3]"
81 . 1 76 THR N 1 76 THR CA 1 76 THR C 1 77 GLY N -60.00 20.00 -25.33 -25.46 -26.28 . . 0 "[ . 1 . 2 . 3]"
82 . 1 77 GLY C 1 78 MET N 1 78 MET CA 1 78 MET C 179.20 -104.00 -152.19 -150.95 -151.18 . . 0 "[ . 1 . 2 . 3]"
83 . 1 78 MET N 1 78 MET CA 1 78 MET C 1 79 SER N 106.30 -174.50 147.00 105.21 171.12 1.09 26 0 "[ . 1 . 2 . 3]"
84 . 1 78 MET C 1 79 SER N 1 79 SER CA 1 79 SER C 170.50 -72.10 -133.35 -155.12 -155.18 . . 0 "[ . 1 . 2 . 3]"
85 . 1 79 SER N 1 79 SER CA 1 79 SER C 1 80 ILE N 95.20 -171.40 152.06 158.48 157.27 . . 0 "[ . 1 . 2 . 3]"
86 . 1 79 SER C 1 80 ILE N 1 80 ILE CA 1 80 ILE C -175.60 -94.20 -146.67 -171.76 -113.10 . . 0 "[ . 1 . 2 . 3]"
87 . 1 80 ILE N 1 80 ILE CA 1 80 ILE C 1 81 GLU N 91.10 159.90 143.33 149.98 147.32 . . 0 "[ . 1 . 2 . 3]"
88 . 1 80 ILE C 1 81 GLU N 1 81 GLU CA 1 81 GLU C 0.00 120.00 66.35 57.73 73.35 . . 0 "[ . 1 . 2 . 3]"
89 . 1 81 GLU C 1 82 GLY N 1 82 GLY CA 1 82 GLY C 0.00 120.00 97.78 82.19 115.18 . . 0 "[ . 1 . 2 . 3]"
90 . 1 82 GLY C 1 83 HIS N 1 83 HIS CA 1 83 HIS C -146.60 -42.80 -136.90 -139.48 -131.72 . . 0 "[ . 1 . 2 . 3]"
91 . 1 83 HIS N 1 83 HIS CA 1 83 HIS C 1 84 LYS N 81.60 171.60 159.29 158.80 158.71 . . 0 "[ . 1 . 2 . 3]"
92 . 1 83 HIS C 1 84 LYS N 1 84 LYS CA 1 84 LYS C 166.00 -20.00 -71.11 -72.76 -69.87 . . 0 "[ . 1 . 2 . 3]"
93 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 GLU N 61.00 -149.00 -178.01 162.15 -160.49 . . 0 "[ . 1 . 2 . 3]"
94 . 1 84 LYS C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -110.00 -30.00 -104.29 -102.66 -104.02 0.42 11 0 "[ . 1 . 2 . 3]"
95 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 ASN N 70.00 170.00 168.53 170.41 170.29 0.56 11 0 "[ . 1 . 2 . 3]"
96 . 1 85 GLU C 1 86 ASN N 1 86 ASN CA 1 86 ASN C 154.00 -32.00 -113.18 -106.00 -108.38 . . 0 "[ . 1 . 2 . 3]"
97 . 1 86 ASN N 1 86 ASN CA 1 86 ASN C 1 87 ILE N 81.00 171.00 130.15 121.11 138.14 . . 0 "[ . 1 . 2 . 3]"
98 . 1 86 ASN C 1 87 ILE N 1 87 ILE CA 1 87 ILE C -136.10 -40.70 -67.83 -67.86 -67.96 . . 0 "[ . 1 . 2 . 3]"
99 . 1 87 ILE N 1 87 ILE CA 1 87 ILE C 1 88 ILE N 101.20 145.60 103.55 100.72 142.41 0.48 28 0 "[ . 1 . 2 . 3]"
100 . 1 87 ILE C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -135.00 -69.00 -96.48 -94.87 -95.13 1.24 29 0 "[ . 1 . 2 . 3]"
101 . 1 88 ILE N 1 88 ILE CA 1 88 ILE C 1 89 SER N -61.00 -1.00 -28.52 -29.13 -29.49 . . 0 "[ . 1 . 2 . 3]"
102 . 1 88 ILE C 1 89 SER N 1 89 SER CA 1 89 SER C 156.00 -96.00 -166.98 -167.06 -167.15 . . 0 "[ . 1 . 2 . 3]"
103 . 1 89 SER N 1 89 SER CA 1 89 SER C 1 90 LYS N 95.00 -151.00 101.63 98.25 96.10 0.36 5 0 "[ . 1 . 2 . 3]"
104 . 1 89 SER C 1 90 LYS N 1 90 LYS CA 1 90 LYS C 171.50 -67.50 -97.16 -96.39 -96.69 . . 0 "[ . 1 . 2 . 3]"
105 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 ASN N 95.40 172.80 126.26 137.62 112.09 0.10 15 0 "[ . 1 . 2 . 3]"
106 . 1 90 LYS C 1 91 ASN N 1 91 ASN CA 1 91 ASN C -158.70 -45.10 -119.80 -144.38 -95.75 . . 0 "[ . 1 . 2 . 3]"
107 . 1 91 ASN N 1 91 ASN CA 1 91 ASN C 1 92 THR N 54.80 -174.00 87.49 61.58 110.13 . . 0 "[ . 1 . 2 . 3]"
108 . 1 91 ASN C 1 92 THR N 1 92 THR CA 1 92 THR C -81.20 -41.20 -70.47 -71.21 -73.01 0.29 26 0 "[ . 1 . 2 . 3]"
109 . 1 92 THR N 1 92 THR CA 1 92 THR C 1 93 ALA N -59.20 5.60 -28.19 -29.86 -30.58 . . 0 "[ . 1 . 2 . 3]"
110 . 1 92 THR C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -96.70 -35.50 -62.67 -63.51 -62.17 . . 0 "[ . 1 . 2 . 3]"
111 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 LYS N -53.00 -7.40 -44.48 -53.67 -18.69 0.67 21 0 "[ . 1 . 2 . 3]"
112 . 1 93 ALA C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -134.90 -60.70 -101.30 -96.57 -96.71 1.65 8 0 "[ . 1 . 2 . 3]"
113 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ASP N -31.50 29.50 14.05 13.48 12.24 . . 0 "[ . 1 . 2 . 3]"
114 . 1 94 LYS C 1 95 ASP N 1 95 ASP CA 1 95 ASP C 10.00 110.00 52.99 51.87 51.33 . . 0 "[ . 1 . 2 . 3]"
115 . 1 95 ASP C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -176.80 -91.00 -146.02 -148.28 -92.77 . . 0 "[ . 1 . 2 . 3]"
116 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 ARG N 116.00 -166.40 165.80 150.41 137.29 . . 0 "[ . 1 . 2 . 3]"
117 . 1 96 GLU C 1 97 ARG N 1 97 ARG CA 1 97 ARG C 171.00 -101.00 -165.68 175.22 -114.98 . . 0 "[ . 1 . 2 . 3]"
118 . 1 97 ARG N 1 97 ARG CA 1 97 ARG C 1 98 THR N 87.80 -166.40 160.99 147.71 172.37 . . 0 "[ . 1 . 2 . 3]"
119 . 1 97 ARG C 1 98 THR N 1 98 THR CA 1 98 THR C -166.30 -66.70 -141.40 -143.99 -137.19 . . 0 "[ . 1 . 2 . 3]"
120 . 1 98 THR N 1 98 THR CA 1 98 THR C 1 99 SER N 100.50 159.30 154.16 147.22 158.38 . . 0 "[ . 1 . 2 . 3]"
121 . 1 98 THR C 1 99 SER N 1 99 SER CA 1 99 SER C -164.80 -89.20 -145.21 -146.91 -143.23 . . 0 "[ . 1 . 2 . 3]"
122 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 GLU N 103.30 166.10 142.23 142.97 142.35 . . 0 "[ . 1 . 2 . 3]"
123 . 1 99 SER C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -166.80 -83.20 -93.00 -93.08 -93.18 . . 0 "[ . 1 . 2 . 3]"
124 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 PHE N 95.00 -174.80 142.81 143.37 141.80 . . 0 "[ . 1 . 2 . 3]"
125 . 1 100 GLU C 1 101 PHE N 1 101 PHE CA 1 101 PHE C 157.50 -51.90 -128.07 -131.45 -114.43 . . 0 "[ . 1 . 2 . 3]"
126 . 1 101 PHE N 1 101 PHE CA 1 101 PHE C 1 102 GLU N 97.90 154.50 141.87 127.58 154.44 . . 0 "[ . 1 . 2 . 3]"
127 . 1 101 PHE C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -158.00 -50.00 -101.67 -97.34 -98.29 . . 0 "[ . 1 . 2 . 3]"
128 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 VAL N 89.00 167.00 128.09 122.06 135.15 . . 0 "[ . 1 . 2 . 3]"
129 . 1 102 GLU C 1 103 VAL N 1 103 VAL CA 1 103 VAL C 178.90 -73.70 -149.48 -149.49 -149.59 . . 0 "[ . 1 . 2 . 3]"
130 . 1 103 VAL N 1 103 VAL CA 1 103 VAL C 1 104 SER N 122.50 -161.70 160.71 158.64 152.52 . . 0 "[ . 1 . 2 . 3]"
131 . 1 109 LYS C 1 110 ILE N 1 110 ILE CA 1 110 ILE C 150.00 -30.00 -135.35 -135.55 -135.78 . . 0 "[ . 1 . 2 . 3]"
132 . 1 110 ILE N 1 110 ILE CA 1 110 ILE C 1 111 ASP N 108.00 156.00 145.41 151.93 150.86 . . 0 "[ . 1 . 2 . 3]"
133 . 1 110 ILE C 1 111 ASP N 1 111 ASP CA 1 111 ASP C -179.00 -29.00 -76.32 -76.38 -76.48 . . 0 "[ . 1 . 2 . 3]"
134 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 GLY N 94.00 -164.00 121.61 100.00 142.66 . . 0 "[ . 1 . 2 . 3]"
135 . 1 112 GLY C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -170.20 -82.20 -140.38 -147.88 -94.67 . . 0 "[ . 1 . 2 . 3]"
136 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 ILE N 102.30 -175.50 164.54 156.16 177.46 . . 0 "[ . 1 . 2 . 3]"
137 . 1 113 LYS C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -168.10 -112.90 -158.06 -157.89 -157.98 . . 0 "[ . 1 . 2 . 3]"
138 . 1 114 ILE N 1 114 ILE CA 1 114 ILE C 1 115 ASP N 111.30 174.10 144.18 133.18 153.44 . . 0 "[ . 1 . 2 . 3]"
139 . 1 114 ILE C 1 115 ASP N 1 115 ASP CA 1 115 ASP C 178.00 -81.80 -107.53 -110.12 -111.65 . . 0 "[ . 1 . 2 . 3]"
140 . 1 115 ASP C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -152.10 -80.50 -136.14 -136.97 -140.45 . . 0 "[ . 1 . 2 . 3]"
141 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 TYR N 113.70 153.70 149.91 143.76 154.09 0.39 14 0 "[ . 1 . 2 . 3]"
142 . 1 116 VAL C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -172.30 -72.70 -151.72 -153.34 -150.69 . . 0 "[ . 1 . 2 . 3]"
143 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 ILE N 99.50 150.90 107.80 99.50 118.89 0.00 18 0 "[ . 1 . 2 . 3]"
144 . 1 117 TYR C 1 118 ILE N 1 118 ILE CA 1 118 ILE C -161.50 -59.30 -134.44 -142.63 -123.24 . . 0 "[ . 1 . 2 . 3]"
145 . 1 118 ILE N 1 118 ILE CA 1 118 ILE C 1 119 ASP N 93.50 152.50 152.51 152.46 152.21 1.33 19 0 "[ . 1 . 2 . 3]"
146 . 1 118 ILE C 1 119 ASP N 1 119 ASP CA 1 119 ASP C -163.80 -51.80 -159.94 -159.94 -160.08 . . 0 "[ . 1 . 2 . 3]"
147 . 1 119 ASP N 1 119 ASP CA 1 119 ASP C 1 120 GLU N 95.80 174.40 98.61 98.07 97.33 0.70 3 0 "[ . 1 . 2 . 3]"
148 . 1 119 ASP C 1 120 GLU N 1 120 GLU CA 1 120 GLU C 168.30 -74.90 -173.56 -172.97 -173.14 . . 0 "[ . 1 . 2 . 3]"
149 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 LYS N 84.20 -139.20 -173.14 175.28 169.62 . . 0 "[ . 1 . 2 . 3]"
150 . 1 120 GLU C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -149.10 -24.90 -100.58 -132.67 -82.89 . . 0 "[ . 1 . 2 . 3]"
151 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 VAL N 63.80 -176.60 112.77 118.85 115.04 . . 0 "[ . 1 . 2 . 3]"
152 . 1 121 LYS C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -155.90 -74.50 -82.87 -158.41 -75.84 2.51 27 0 "[ . 1 . 2 . 3]"
153 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 ASN N 90.60 157.60 103.42 92.26 91.68 0.24 5 0 "[ . 1 . 2 . 3]"
154 . 1 122 VAL C 1 123 ASN N 1 123 ASN CA 1 123 ASN C 31.00 71.00 57.38 49.28 67.18 . . 0 "[ . 1 . 2 . 3]"
155 . 1 123 ASN N 1 123 ASN CA 1 123 ASN C 1 124 GLY N 25.00 65.00 36.68 25.29 53.04 . . 0 "[ . 1 . 2 . 3]"
156 . 1 124 GLY C 1 125 LYS N 1 125 LYS CA 1 125 LYS C 177.00 -51.60 -145.48 -145.26 -145.28 . . 0 "[ . 1 . 2 . 3]"
157 . 1 125 LYS N 1 125 LYS CA 1 125 LYS C 1 126 PRO N 80.40 -164.20 109.15 85.44 145.91 . . 0 "[ . 1 . 2 . 3]"
158 . 1 125 LYS C 1 126 PRO N 1 126 PRO CA 1 126 PRO C -104.70 -30.70 -54.90 -51.18 -52.12 . . 0 "[ . 1 . 2 . 3]"
159 . 1 126 PRO N 1 126 PRO CA 1 126 PRO C 1 127 PHE N 106.90 159.50 121.89 119.70 117.85 . . 0 "[ . 1 . 2 . 3]"
160 . 1 126 PRO C 1 127 PHE N 1 127 PHE CA 1 127 PHE C -165.50 -83.50 -126.80 -158.62 -97.78 . . 0 "[ . 1 . 2 . 3]"
161 . 1 127 PHE N 1 127 PHE CA 1 127 PHE C 1 128 LYS N 88.50 171.10 133.85 122.51 120.13 . . 0 "[ . 1 . 2 . 3]"
162 . 1 127 PHE C 1 128 LYS N 1 128 LYS CA 1 128 LYS C -143.40 -73.60 -117.69 -103.61 -103.94 . . 0 "[ . 1 . 2 . 3]"
163 . 1 128 LYS N 1 128 LYS CA 1 128 LYS C 1 129 TYR N 99.10 142.50 119.71 99.07 142.67 0.17 1 0 "[ . 1 . 2 . 3]"
164 . 1 128 LYS C 1 129 TYR N 1 129 TYR CA 1 129 TYR C 166.00 -20.00 -126.48 -153.43 -156.67 . . 0 "[ . 1 . 2 . 3]"
165 . 1 129 TYR N 1 129 TYR CA 1 129 TYR C 1 130 ASP N 114.00 154.00 126.18 123.22 121.49 0.17 18 0 "[ . 1 . 2 . 3]"
166 . 1 129 TYR C 1 130 ASP N 1 130 ASP CA 1 130 ASP C 160.60 -39.40 -169.85 -177.37 -158.77 . . 0 "[ . 1 . 2 . 3]"
167 . 1 130 ASP N 1 130 ASP CA 1 130 ASP C 1 131 HIS N 52.10 -139.50 85.85 87.36 86.69 . . 0 "[ . 1 . 2 . 3]"
168 . 1 131 HIS C 1 132 HIS N 1 132 HIS CA 1 132 HIS C -149.90 -85.90 -119.64 -122.53 -117.60 . . 0 "[ . 1 . 2 . 3]"
169 . 1 132 HIS N 1 132 HIS CA 1 132 HIS C 1 133 TYR N 86.10 170.70 127.91 139.83 96.38 0.82 10 0 "[ . 1 . 2 . 3]"
170 . 1 132 HIS C 1 133 TYR N 1 133 TYR CA 1 133 TYR C 179.50 -67.10 -130.75 -155.68 -84.48 . . 0 "[ . 1 . 2 . 3]"
171 . 1 133 TYR N 1 133 TYR CA 1 133 TYR C 1 134 ASN N 114.90 -179.70 175.50 135.06 -178.39 1.31 1 0 "[ . 1 . 2 . 3]"
172 . 1 133 TYR C 1 134 ASN N 1 134 ASN CA 1 134 ASN C 173.00 -31.00 -143.66 -152.39 -87.77 . . 0 "[ . 1 . 2 . 3]"
173 . 1 134 ASN N 1 134 ASN CA 1 134 ASN C 1 135 ILE N 99.00 -171.00 169.36 176.38 174.27 . . 0 "[ . 1 . 2 . 3]"
174 . 1 134 ASN C 1 135 ILE N 1 135 ILE CA 1 135 ILE C 177.50 -104.10 -156.68 -157.83 -155.59 . . 0 "[ . 1 . 2 . 3]"
175 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 THR N 115.20 178.40 166.99 168.86 167.93 1.19 23 0 "[ . 1 . 2 . 3]"
176 . 1 135 ILE C 1 136 THR N 1 136 THR CA 1 136 THR C -176.80 -95.00 -91.76 -91.67 -91.75 3.94 23 0 "[ . 1 . 2 . 3]"
177 . 1 136 THR N 1 136 THR CA 1 136 THR C 1 137 TYR N 98.20 160.80 129.06 113.82 163.60 2.80 14 0 "[ . 1 . 2 . 3]"
178 . 1 136 THR C 1 137 TYR N 1 137 TYR CA 1 137 TYR C -169.50 -40.10 -100.34 -89.78 -89.91 . . 0 "[ . 1 . 2 . 3]"
179 . 1 137 TYR N 1 137 TYR CA 1 137 TYR C 1 138 LYS N 96.00 172.40 133.47 155.15 154.60 0.27 26 0 "[ . 1 . 2 . 3]"
180 . 1 137 TYR C 1 138 LYS N 1 138 LYS CA 1 138 LYS C 175.20 -39.00 -124.69 -162.21 -82.50 . . 0 "[ . 1 . 2 . 3]"
181 . 1 138 LYS N 1 138 LYS CA 1 138 LYS C 1 139 PHE N 66.30 -167.70 110.78 95.30 162.51 . . 0 "[ . 1 . 2 . 3]"
182 . 1 138 LYS C 1 139 PHE N 1 139 PHE CA 1 139 PHE C -156.90 -63.70 -98.80 -91.99 -92.17 . . 0 "[ . 1 . 2 . 3]"
183 . 1 139 PHE N 1 139 PHE CA 1 139 PHE C 1 140 ASN N 85.00 158.40 147.56 129.14 158.80 0.40 22 0 "[ . 1 . 2 . 3]"
184 . 1 139 PHE C 1 140 ASN N 1 140 ASN CA 1 140 ASN C -172.60 -35.20 -136.12 -113.93 -124.02 . . 0 "[ . 1 . 2 . 3]"
185 . 1 140 ASN N 1 140 ASN CA 1 140 ASN C 1 141 GLY N 67.30 -148.30 101.22 103.20 102.08 . . 0 "[ . 1 . 2 . 3]"
186 . 1 142 PRO C 1 143 THR N 1 143 THR CA 1 143 THR C -170.00 -70.00 -134.86 -91.86 -148.44 . . 0 "[ . 1 . 2 . 3]"
187 . 1 36 TYR N 1 36 TYR CA 1 36 TYR CB 1 36 TYR CG -90.00 -30.00 -75.91 -75.85 -79.02 0.45 13 0 "[ . 1 . 2 . 3]"
188 . 1 48 ASP N 1 48 ASP CA 1 48 ASP CB 1 48 ASP CG -90.00 -30.00 -79.92 -90.10 -55.20 0.10 14 0 "[ . 1 . 2 . 3]"
189 . 1 58 LYS N 1 58 LYS CA 1 58 LYS CB 1 58 LYS CG -90.00 -30.00 -34.35 -36.18 -38.49 2.12 26 0 "[ . 1 . 2 . 3]"
190 . 1 62 LYS N 1 62 LYS CA 1 62 LYS CB 1 62 LYS CG 30.00 90.00 30.14 28.56 28.33 1.85 22 0 "[ . 1 . 2 . 3]"
191 . 1 63 LEU N 1 63 LEU CA 1 63 LEU CB 1 63 LEU CG 30.00 90.00 70.39 80.13 75.32 1.02 6 0 "[ . 1 . 2 . 3]"
192 . 1 66 GLN N 1 66 GLN CA 1 66 GLN CB 1 66 GLN CG 30.00 90.00 76.36 54.67 90.13 0.13 8 0 "[ . 1 . 2 . 3]"
193 . 1 83 HIS N 1 83 HIS CA 1 83 HIS CB 1 83 HIS CG 30.00 90.00 72.52 35.89 91.72 1.72 16 0 "[ . 1 . 2 . 3]"
194 . 1 90 LYS N 1 90 LYS CA 1 90 LYS CB 1 90 LYS CG 150.00 -150.00 -154.62 -168.50 -149.07 0.93 8 0 "[ . 1 . 2 . 3]"
195 . 1 96 GLU N 1 96 GLU CA 1 96 GLU CB 1 96 GLU CG -90.00 -30.00 -86.57 -87.73 -88.16 0.44 21 0 "[ . 1 . 2 . 3]"
196 . 1 99 SER N 1 99 SER CA 1 99 SER CB 1 99 SER OG 30.00 90.00 50.83 29.83 89.78 0.17 4 0 "[ . 1 . 2 . 3]"
197 . 1 101 PHE N 1 101 PHE CA 1 101 PHE CB 1 101 PHE CG -90.00 -30.00 -73.28 -82.16 -82.73 . . 0 "[ . 1 . 2 . 3]"
198 . 1 106 LEU N 1 106 LEU CA 1 106 LEU CB 1 106 LEU CG 30.00 90.00 29.09 30.36 30.02 4.29 11 0 "[ . 1 . 2 . 3]"
199 . 1 111 ASP N 1 111 ASP CA 1 111 ASP CB 1 111 ASP CG -90.00 -30.00 -68.64 -69.84 -71.37 . . 0 "[ . 1 . 2 . 3]"
200 . 1 113 LYS N 1 113 LYS CA 1 113 LYS CB 1 113 LYS CG -90.00 -30.00 -66.22 -89.58 -35.05 . . 0 "[ . 1 . 2 . 3]"
201 . 1 119 ASP N 1 119 ASP CA 1 119 ASP CB 1 119 ASP CG 30.00 90.00 39.35 39.31 38.03 . . 0 "[ . 1 . 2 . 3]"
202 . 1 120 GLU N 1 120 GLU CA 1 120 GLU CB 1 120 GLU CG 30.00 90.00 55.85 31.20 74.34 . . 0 "[ . 1 . 2 . 3]"
203 . 1 129 TYR N 1 129 TYR CA 1 129 TYR CB 1 129 TYR CG 150.00 -150.00 -149.83 -153.75 -148.41 1.59 17 0 "[ . 1 . 2 . 3]"
204 . 1 133 TYR N 1 133 TYR CA 1 133 TYR CB 1 133 TYR CG -90.00 -30.00 -74.09 -85.61 -61.28 . . 0 "[ . 1 . 2 . 3]"
205 . 1 134 ASN N 1 134 ASN CA 1 134 ASN CB 1 134 ASN CG 30.00 90.00 45.18 29.92 59.93 0.08 23 0 "[ . 1 . 2 . 3]"
206 . 1 137 TYR N 1 137 TYR CA 1 137 TYR CB 1 137 TYR CG -90.00 90.00 -81.51 -90.72 -66.15 0.72 11 0 "[ . 1 . 2 . 3]"
207 . 1 139 PHE N 1 139 PHE CA 1 139 PHE CB 1 139 PHE CG -90.00 -30.00 -69.83 -90.16 -44.38 0.16 14 0 "[ . 1 . 2 . 3]"
208 . 1 140 ASN N 1 140 ASN CA 1 140 ASN CB 1 140 ASN CG -90.00 -30.00 -51.73 -66.67 -40.08 . . 0 "[ . 1 . 2 . 3]"
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