NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446001 |
2kkz   |
16376 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2kkz
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 203
_TA_constraint_stats_list.Viol_count 265
_TA_constraint_stats_list.Viol_total 7732.00
_TA_constraint_stats_list.Viol_max 5.34
_TA_constraint_stats_list.Viol_rms 0.45
_TA_constraint_stats_list.Viol_average_all_restraints 0.10
_TA_constraint_stats_list.Viol_average_violations_only 1.46
_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 SER C 1 5 ARG N 1 5 ARG CA 1 5 ARG C -156.25 -96.25 -122.00 -158.48 -95.93 2.23 9 0 "[ . 1 . 2]"
2 . 1 5 ARG N 1 5 ARG CA 1 5 ARG C 1 6 TYR N 119.75 179.75 143.97 118.22 159.59 1.53 16 0 "[ . 1 . 2]"
3 . 1 5 ARG C 1 6 TYR N 1 6 TYR CA 1 6 TYR C -123.05 -63.05 -104.12 -119.36 -121.74 0.86 17 0 "[ . 1 . 2]"
4 . 1 6 TYR N 1 6 TYR CA 1 6 TYR C 1 7 ILE N 99.87 159.87 107.23 97.73 121.17 2.14 12 0 "[ . 1 . 2]"
5 . 1 6 TYR C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -140.17 -80.17 -80.18 -87.09 -91.25 4.24 6 0 "[ . 1 . 2]"
6 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 THR N 100.02 160.02 125.90 129.59 125.89 . . 0 "[ . 1 . 2]"
7 . 1 7 ILE C 1 8 THR N 1 8 THR CA 1 8 THR C -139.81 -79.81 -115.38 -141.34 -98.00 1.53 8 0 "[ . 1 . 2]"
8 . 1 8 THR C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -107.60 -47.60 -74.46 -88.84 -67.61 . . 0 "[ . 1 . 2]"
9 . 1 9 ASP N 1 9 ASP CA 1 9 ASP C 1 10 MET N -61.81 -1.81 -27.16 -35.54 -41.07 . . 0 "[ . 1 . 2]"
10 . 1 9 ASP C 1 10 MET N 1 10 MET CA 1 10 MET C -151.67 -91.67 -107.91 -106.04 -109.74 . . 0 "[ . 1 . 2]"
11 . 1 10 MET N 1 10 MET CA 1 10 MET C 1 11 THR N 125.17 -174.83 137.26 121.81 151.15 3.36 6 0 "[ . 1 . 2]"
12 . 1 10 MET C 1 11 THR N 1 11 THR CA 1 11 THR C -115.47 -55.47 -75.52 -82.61 -86.82 . . 0 "[ . 1 . 2]"
13 . 1 11 THR N 1 11 THR CA 1 11 THR C 1 12 ILE N 137.60 -162.40 161.37 158.84 158.02 . . 0 "[ . 1 . 2]"
14 . 1 11 THR C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -87.53 -27.53 -57.76 -60.43 -61.52 . . 0 "[ . 1 . 2]"
15 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 GLU N -68.06 -8.06 -34.66 -43.16 -27.68 . . 0 "[ . 1 . 2]"
16 . 1 12 ILE C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -93.89 -33.89 -55.62 -65.97 -47.66 . . 0 "[ . 1 . 2]"
17 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 GLU N -70.54 -10.54 -54.44 -40.64 -41.40 0.60 14 0 "[ . 1 . 2]"
18 . 1 13 GLU C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -95.36 -35.36 -78.69 -97.73 -61.41 2.37 2 0 "[ . 1 . 2]"
19 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 LEU N -70.44 -10.44 -25.50 -41.95 -13.23 . . 0 "[ . 1 . 2]"
20 . 1 14 GLU C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -106.78 -46.78 -64.81 -73.91 -58.53 . . 0 "[ . 1 . 2]"
21 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 SER N -61.26 -1.26 -43.70 -59.93 -32.30 . . 0 "[ . 1 . 2]"
22 . 1 15 LEU C 1 16 SER N 1 16 SER CA 1 16 SER C -129.55 -69.55 -101.72 -84.30 -91.94 . . 0 "[ . 1 . 2]"
23 . 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 ARG N -40.99 19.01 13.77 -7.50 22.05 3.04 9 0 "[ . 1 . 2]"
24 . 1 16 SER C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -117.03 -57.03 -72.14 -61.51 -65.39 . . 0 "[ . 1 . 2]"
25 . 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 ASP N 109.39 169.39 136.43 122.33 150.16 . . 0 "[ . 1 . 2]"
26 . 1 18 ASP C 1 19 TRP N 1 19 TRP CA 1 19 TRP C -160.41 -100.41 -152.27 -156.06 -157.33 0.89 18 0 "[ . 1 . 2]"
27 . 1 19 TRP N 1 19 TRP CA 1 19 TRP C 1 20 PHE N 119.07 179.07 165.52 178.65 176.22 0.70 15 0 "[ . 1 . 2]"
28 . 1 19 TRP C 1 20 PHE N 1 20 PHE CA 1 20 PHE C -148.95 -88.95 -128.50 -142.62 -148.20 2.93 1 0 "[ . 1 . 2]"
29 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 MET N 104.41 164.41 152.82 135.51 166.68 2.27 1 0 "[ . 1 . 2]"
30 . 1 20 PHE C 1 21 MET N 1 21 MET CA 1 21 MET C -128.28 -68.28 -112.25 -94.31 -99.76 1.50 9 0 "[ . 1 . 2]"
31 . 1 21 MET N 1 21 MET CA 1 21 MET C 1 22 LEU N 90.87 150.87 120.11 93.06 150.92 0.05 3 0 "[ . 1 . 2]"
32 . 1 22 LEU C 1 23 MET N 1 23 MET CA 1 23 MET C -162.11 -102.11 -123.20 -134.38 -101.95 0.16 13 0 "[ . 1 . 2]"
33 . 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 LYS N 114.10 174.10 123.05 110.39 145.56 3.71 9 0 "[ . 1 . 2]"
34 . 1 24 PRO C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -134.59 -74.59 -114.00 -124.93 -129.88 0.98 15 0 "[ . 1 . 2]"
35 . 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 GLN N 97.80 157.80 118.71 103.56 135.91 . . 0 "[ . 1 . 2]"
36 . 1 25 LYS C 1 26 GLN N 1 26 GLN CA 1 26 GLN C -142.64 -82.64 -99.72 -106.91 -107.72 5.34 9 1 "[ . +1 . 2]"
37 . 1 26 GLN N 1 26 GLN CA 1 26 GLN C 1 27 LYS N 101.12 161.12 108.87 111.59 110.24 2.30 5 0 "[ . 1 . 2]"
38 . 1 26 GLN C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -152.20 -92.20 -120.89 -144.24 -96.66 . . 0 "[ . 1 . 2]"
39 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 VAL N 100.30 160.30 134.59 135.83 133.60 2.34 17 0 "[ . 1 . 2]"
40 . 1 27 LYS C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -138.10 -78.10 -112.57 -137.68 -75.35 2.75 10 0 "[ . 1 . 2]"
41 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 GLU N 93.45 153.45 131.73 99.50 147.24 . . 0 "[ . 1 . 2]"
42 . 1 28 VAL C 1 29 GLU N 1 29 GLU CA 1 29 GLU C -137.88 -77.88 -124.77 -115.06 -122.45 0.80 15 0 "[ . 1 . 2]"
43 . 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 GLY N 84.79 144.79 91.98 83.96 104.83 0.83 16 0 "[ . 1 . 2]"
44 . 1 31 PRO C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -148.48 -88.48 -129.05 -116.23 -123.51 . . 0 "[ . 1 . 2]"
45 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 CYS N 115.65 175.65 141.55 130.85 123.97 3.74 16 0 "[ . 1 . 2]"
46 . 1 32 LEU C 1 33 CYS N 1 33 CYS CA 1 33 CYS C -144.34 -84.34 -104.71 -140.23 -83.05 1.29 15 0 "[ . 1 . 2]"
47 . 1 33 CYS N 1 33 CYS CA 1 33 CYS C 1 34 ILE N 94.72 154.72 127.91 110.79 146.47 . . 0 "[ . 1 . 2]"
48 . 1 33 CYS C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -143.31 -83.31 -102.03 -116.22 -86.07 . . 0 "[ . 1 . 2]"
49 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 ARG N 102.56 162.56 135.57 132.63 124.91 . . 0 "[ . 1 . 2]"
50 . 1 34 ILE C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -154.64 -94.64 -114.90 -138.61 -92.81 1.83 19 0 "[ . 1 . 2]"
51 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 ILE N 121.60 -178.40 121.37 119.73 118.53 4.77 16 0 "[ . 1 . 2]"
52 . 1 35 ARG C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -174.44 -114.44 -123.83 -116.80 -118.26 0.57 16 0 "[ . 1 . 2]"
53 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 ASP N 123.46 -176.54 125.63 125.59 124.08 3.45 16 0 "[ . 1 . 2]"
54 . 1 36 ILE C 1 37 ASP N 1 37 ASP CA 1 37 ASP C -120.39 -60.39 -98.07 -95.50 -97.03 . . 0 "[ . 1 . 2]"
55 . 1 37 ASP N 1 37 ASP CA 1 37 ASP C 1 38 GLN N 104.90 164.90 119.18 141.02 128.37 . . 0 "[ . 1 . 2]"
56 . 1 37 ASP C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -99.74 -39.74 -82.56 -103.40 -71.01 3.66 2 0 "[ . 1 . 2]"
57 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 ALA N -54.16 5.84 -9.11 -3.43 -6.91 . . 0 "[ . 1 . 2]"
58 . 1 39 ALA C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -131.38 -71.38 -75.05 -87.07 -69.85 1.53 5 0 "[ . 1 . 2]"
59 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 MET N 89.81 149.81 107.62 106.63 104.08 . . 0 "[ . 1 . 2]"
60 . 1 40 ILE C 1 41 MET N 1 41 MET CA 1 41 MET C -143.40 -83.40 -130.89 -127.82 -129.23 . . 0 "[ . 1 . 2]"
61 . 1 41 MET N 1 41 MET CA 1 41 MET C 1 42 ASP N 143.34 -156.66 159.20 158.43 156.80 . . 0 "[ . 1 . 2]"
62 . 1 42 ASP C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -146.31 -86.31 -108.57 -130.03 -85.95 0.36 11 0 "[ . 1 . 2]"
63 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 ASN N 110.28 170.28 151.19 153.39 151.99 . . 0 "[ . 1 . 2]"
64 . 1 43 LYS C 1 44 ASN N 1 44 ASN CA 1 44 ASN C -127.53 -67.53 -87.96 -91.16 -91.98 . . 0 "[ . 1 . 2]"
65 . 1 44 ASN N 1 44 ASN CA 1 44 ASN C 1 45 ILE N 94.62 154.62 105.79 97.74 112.19 . . 0 "[ . 1 . 2]"
66 . 1 44 ASN C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -142.39 -82.39 -109.32 -108.14 -110.92 . . 0 "[ . 1 . 2]"
67 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 MET N 95.83 155.83 134.56 117.90 149.15 . . 0 "[ . 1 . 2]"
68 . 1 45 ILE C 1 46 MET N 1 46 MET CA 1 46 MET C -140.20 -80.20 -111.59 -106.08 -110.00 . . 0 "[ . 1 . 2]"
69 . 1 46 MET N 1 46 MET CA 1 46 MET C 1 47 LEU N 88.52 148.52 127.30 116.38 138.16 . . 0 "[ . 1 . 2]"
70 . 1 46 MET C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -127.86 -67.86 -95.45 -108.36 -81.39 . . 0 "[ . 1 . 2]"
71 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 LYS N 105.46 165.46 106.76 103.87 103.75 2.97 9 0 "[ . 1 . 2]"
72 . 1 47 LEU C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -159.08 -99.08 -118.65 -142.55 -98.50 0.58 17 0 "[ . 1 . 2]"
73 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 ALA N 125.76 -174.24 143.04 125.47 155.40 0.29 13 0 "[ . 1 . 2]"
74 . 1 48 LYS C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -174.68 -114.68 -141.77 -149.37 -153.49 . . 0 "[ . 1 . 2]"
75 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ASN N 120.02 -179.98 150.76 160.67 156.55 . . 0 "[ . 1 . 2]"
76 . 1 49 ALA C 1 50 ASN N 1 50 ASN CA 1 50 ASN C -149.56 -89.56 -106.41 -116.48 -89.62 . . 0 "[ . 1 . 2]"
77 . 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 PHE N 109.73 169.73 127.56 118.68 134.90 . . 0 "[ . 1 . 2]"
78 . 1 50 ASN C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -178.43 -118.43 -157.67 -161.10 -161.93 . . 0 "[ . 1 . 2]"
79 . 1 51 PHE N 1 51 PHE CA 1 51 PHE C 1 52 SER N 139.30 -160.70 160.03 154.70 165.05 . . 0 "[ . 1 . 2]"
80 . 1 51 PHE C 1 52 SER N 1 52 SER CA 1 52 SER C -146.73 -86.73 -87.43 -88.02 -88.53 1.59 10 0 "[ . 1 . 2]"
81 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 VAL N 115.15 175.15 157.51 148.76 169.58 . . 0 "[ . 1 . 2]"
82 . 1 52 SER C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -165.62 -105.62 -131.33 -132.15 -134.41 . . 0 "[ . 1 . 2]"
83 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 ILE N 119.96 179.96 138.90 129.00 154.05 . . 0 "[ . 1 . 2]"
84 . 1 53 VAL C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -162.21 -102.21 -147.20 -143.89 -145.05 0.46 14 0 "[ . 1 . 2]"
85 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 PHE N 113.72 173.72 141.79 141.51 140.90 . . 0 "[ . 1 . 2]"
86 . 1 56 ASP C 1 57 ARG N 1 57 ARG CA 1 57 ARG C -158.57 -98.57 -129.84 -146.74 -114.58 . . 0 "[ . 1 . 2]"
87 . 1 57 ARG N 1 57 ARG CA 1 57 ARG C 1 58 LEU N 118.63 178.63 167.06 162.93 160.96 1.31 5 0 "[ . 1 . 2]"
88 . 1 57 ARG C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -106.50 -46.50 -67.27 -74.44 -61.55 . . 0 "[ . 1 . 2]"
89 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 GLU N 97.85 157.85 121.08 108.63 136.30 . . 0 "[ . 1 . 2]"
90 . 1 59 GLU C 1 60 THR N 1 60 THR CA 1 60 THR C -164.94 -104.94 -143.89 -149.88 -125.64 . . 0 "[ . 1 . 2]"
91 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 LEU N 123.15 -176.85 130.81 120.94 138.75 2.21 3 0 "[ . 1 . 2]"
92 . 1 60 THR C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -126.88 -66.88 -75.90 -84.20 -70.49 . . 0 "[ . 1 . 2]"
93 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 ILE N 95.94 155.94 124.35 129.22 126.67 . . 0 "[ . 1 . 2]"
94 . 1 61 LEU C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -122.39 -62.39 -82.47 -96.16 -63.13 . . 0 "[ . 1 . 2]"
95 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 LEU N -74.13 -14.13 -50.15 -53.83 -43.48 . . 0 "[ . 1 . 2]"
96 . 1 62 ILE C 1 63 LEU N 1 63 LEU CA 1 63 LEU C 171.49 -128.51 -164.09 -170.60 -156.61 . . 0 "[ . 1 . 2]"
97 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 LEU N 115.72 175.72 147.79 142.42 151.25 . . 0 "[ . 1 . 2]"
98 . 1 63 LEU C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -161.29 -101.29 -132.13 -139.26 -124.00 . . 0 "[ . 1 . 2]"
99 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 ARG N 103.47 163.47 148.48 148.15 145.85 . . 0 "[ . 1 . 2]"
100 . 1 64 LEU C 1 65 ARG N 1 65 ARG CA 1 65 ARG C -162.59 -102.59 -143.80 -133.87 -135.00 . . 0 "[ . 1 . 2]"
101 . 1 65 ARG N 1 65 ARG CA 1 65 ARG C 1 66 ALA N 105.70 165.70 144.93 143.57 141.16 . . 0 "[ . 1 . 2]"
102 . 1 65 ARG C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -143.23 -83.23 -111.09 -109.76 -111.29 . . 0 "[ . 1 . 2]"
103 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 PHE N 95.63 155.63 115.26 122.46 121.14 . . 0 "[ . 1 . 2]"
104 . 1 66 ALA C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -147.96 -87.96 -122.99 -150.22 -96.56 2.26 2 0 "[ . 1 . 2]"
105 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 THR N 117.93 177.93 144.49 166.00 160.41 . . 0 "[ . 1 . 2]"
106 . 1 67 PHE C 1 68 THR N 1 68 THR CA 1 68 THR C -118.46 -58.46 -76.47 -100.18 -62.95 . . 0 "[ . 1 . 2]"
107 . 1 68 THR N 1 68 THR CA 1 68 THR C 1 69 GLU N 135.67 -164.33 176.45 163.28 -172.93 . . 0 "[ . 1 . 2]"
108 . 1 68 THR C 1 69 GLU N 1 69 GLU CA 1 69 GLU C -88.49 -28.49 -62.65 -68.42 -69.95 . . 0 "[ . 1 . 2]"
109 . 1 69 GLU N 1 69 GLU CA 1 69 GLU C 1 70 GLU N -59.06 0.94 -23.42 -9.46 -11.39 . . 0 "[ . 1 . 2]"
110 . 1 69 GLU C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -119.13 -59.13 -79.59 -98.30 -61.70 . . 0 "[ . 1 . 2]"
111 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 GLY N -28.79 31.21 -16.04 -24.04 -29.24 1.48 14 0 "[ . 1 . 2]"
112 . 1 70 GLU C 1 71 GLY N 1 71 GLY CA 1 71 GLY C 62.16 122.16 92.06 69.00 114.03 . . 0 "[ . 1 . 2]"
113 . 1 71 GLY N 1 71 GLY CA 1 71 GLY C 1 72 ALA N -33.22 26.78 9.55 -1.48 -2.72 0.29 11 0 "[ . 1 . 2]"
114 . 1 71 GLY C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -112.03 -52.03 -80.62 -74.99 -76.32 . . 0 "[ . 1 . 2]"
115 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 ILE N 103.63 163.63 117.88 102.72 135.11 0.91 9 0 "[ . 1 . 2]"
116 . 1 74 VAL C 1 75 GLY N 1 75 GLY CA 1 75 GLY C 176.87 -123.13 -160.01 -165.25 -167.79 0.82 10 0 "[ . 1 . 2]"
117 . 1 75 GLY N 1 75 GLY CA 1 75 GLY C 1 76 GLU N 138.36 -161.64 163.62 177.23 173.03 . . 0 "[ . 1 . 2]"
118 . 1 75 GLY C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -164.04 -104.04 -165.21 -168.35 -158.39 4.31 18 0 "[ . 1 . 2]"
119 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ILE N 113.18 173.18 148.09 130.55 157.79 . . 0 "[ . 1 . 2]"
120 . 1 76 GLU C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -147.27 -87.27 -125.24 -136.00 -107.43 . . 0 "[ . 1 . 2]"
121 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 SER N 104.23 164.23 108.78 112.66 106.85 1.54 8 0 "[ . 1 . 2]"
122 . 1 77 ILE C 1 78 SER N 1 78 SER CA 1 78 SER C -152.29 -92.29 -113.83 -138.84 -93.70 . . 0 "[ . 1 . 2]"
123 . 1 78 SER N 1 78 SER CA 1 78 SER C 1 79 PRO N 107.64 167.64 121.05 118.32 113.35 1.19 5 0 "[ . 1 . 2]"
124 . 1 79 PRO N 1 79 PRO CA 1 79 PRO C 1 80 LEU N 116.71 176.71 131.73 121.45 119.11 3.06 16 0 "[ . 1 . 2]"
125 . 1 79 PRO C 1 80 LEU N 1 80 LEU CA 1 80 LEU C -118.21 -58.21 -66.10 -76.22 -57.54 0.67 8 0 "[ . 1 . 2]"
126 . 1 80 LEU N 1 80 LEU CA 1 80 LEU C 1 81 PRO N 109.18 169.18 132.30 127.30 124.51 . . 0 "[ . 1 . 2]"
127 . 1 82 SER C 1 83 PHE N 1 83 PHE CA 1 83 PHE C -132.10 -72.10 -126.28 -123.90 -123.96 2.32 20 0 "[ . 1 . 2]"
128 . 1 83 PHE N 1 83 PHE CA 1 83 PHE C 1 84 PRO N 70.92 130.92 90.08 89.87 84.14 . . 0 "[ . 1 . 2]"
129 . 1 85 GLY C 1 86 HIS N 1 86 HIS CA 1 86 HIS C -149.29 -89.29 -133.40 -153.05 -90.62 3.76 4 0 "[ . 1 . 2]"
130 . 1 86 HIS N 1 86 HIS CA 1 86 HIS C 1 87 THR N 127.84 -172.16 160.70 125.55 -175.68 2.29 17 0 "[ . 1 . 2]"
131 . 1 86 HIS C 1 87 THR N 1 87 THR CA 1 87 THR C -126.21 -66.21 -98.79 -126.91 -82.48 0.70 17 0 "[ . 1 . 2]"
132 . 1 87 THR N 1 87 THR CA 1 87 THR C 1 88 ILE N 136.32 -163.68 162.52 151.40 -178.62 . . 0 "[ . 1 . 2]"
133 . 1 87 THR C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -90.63 -30.63 -52.98 -56.05 -56.78 . . 0 "[ . 1 . 2]"
134 . 1 88 ILE N 1 88 ILE CA 1 88 ILE C 1 89 GLU N -65.12 -5.12 -36.18 -41.85 -28.98 . . 0 "[ . 1 . 2]"
135 . 1 88 ILE C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -92.20 -32.20 -60.40 -72.85 -52.32 . . 0 "[ . 1 . 2]"
136 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 ASP N -73.04 -13.04 -40.05 -52.65 -29.43 . . 0 "[ . 1 . 2]"
137 . 1 89 GLU C 1 90 ASP N 1 90 ASP CA 1 90 ASP C -95.41 -35.41 -67.50 -83.60 -59.33 . . 0 "[ . 1 . 2]"
138 . 1 90 ASP N 1 90 ASP CA 1 90 ASP C 1 91 VAL N -69.45 -9.45 -37.65 -25.62 -30.01 . . 0 "[ . 1 . 2]"
139 . 1 90 ASP C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -94.79 -34.79 -65.42 -69.76 -61.53 . . 0 "[ . 1 . 2]"
140 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 LYS N -73.11 -13.11 -42.27 -42.91 -48.64 . . 0 "[ . 1 . 2]"
141 . 1 91 VAL C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -91.40 -31.40 -61.63 -72.10 -52.00 . . 0 "[ . 1 . 2]"
142 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 ASN N -70.65 -10.65 -37.94 -30.70 -33.58 . . 0 "[ . 1 . 2]"
143 . 1 92 LYS C 1 93 ASN N 1 93 ASN CA 1 93 ASN C -93.55 -33.55 -66.64 -66.68 -68.00 . . 0 "[ . 1 . 2]"
144 . 1 93 ASN N 1 93 ASN CA 1 93 ASN C 1 94 ALA N -71.80 -11.80 -44.54 -50.67 -38.86 . . 0 "[ . 1 . 2]"
145 . 1 93 ASN C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -96.49 -36.49 -60.63 -63.58 -57.35 . . 0 "[ . 1 . 2]"
146 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 ILE N -72.22 -12.22 -45.17 -53.28 -36.28 . . 0 "[ . 1 . 2]"
147 . 1 94 ALA C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -93.32 -33.32 -65.07 -72.06 -57.71 . . 0 "[ . 1 . 2]"
148 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 GLY N -72.49 -12.49 -37.88 -36.33 -37.50 . . 0 "[ . 1 . 2]"
149 . 1 95 ILE C 1 96 GLY N 1 96 GLY CA 1 96 GLY C -92.80 -32.80 -64.83 -71.06 -76.90 . . 0 "[ . 1 . 2]"
150 . 1 96 GLY N 1 96 GLY CA 1 96 GLY C 1 97 VAL N -70.62 -10.62 -31.38 -39.72 -22.43 . . 0 "[ . 1 . 2]"
151 . 1 96 GLY C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -94.69 -34.69 -74.06 -72.56 -73.00 . . 0 "[ . 1 . 2]"
152 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 LEU N -71.67 -11.67 -44.87 -42.81 -43.15 . . 0 "[ . 1 . 2]"
153 . 1 97 VAL C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -90.90 -30.90 -57.64 -57.34 -58.23 . . 0 "[ . 1 . 2]"
154 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 ILE N -76.05 -16.05 -49.93 -57.30 -43.81 . . 0 "[ . 1 . 2]"
155 . 1 98 LEU C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -91.86 -31.86 -60.46 -58.06 -58.88 . . 0 "[ . 1 . 2]"
156 . 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 GLY N -72.45 -12.45 -46.51 -52.18 -37.20 . . 0 "[ . 1 . 2]"
157 . 1 99 ILE C 1 100 GLY N 1 100 GLY CA 1 100 GLY C -90.68 -30.68 -57.14 -55.93 -56.67 . . 0 "[ . 1 . 2]"
158 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C 1 101 GLY N -69.64 -9.64 -37.79 -47.85 -21.82 . . 0 "[ . 1 . 2]"
159 . 1 100 GLY C 1 101 GLY N 1 101 GLY CA 1 101 GLY C -97.63 -37.63 -71.69 -95.74 -61.19 . . 0 "[ . 1 . 2]"
160 . 1 101 GLY N 1 101 GLY CA 1 101 GLY C 1 102 LEU N -70.77 -10.77 -35.51 -35.85 -38.11 . . 0 "[ . 1 . 2]"
161 . 1 101 GLY C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -95.00 -35.00 -71.89 -91.76 -62.96 . . 0 "[ . 1 . 2]"
162 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 GLU N -68.24 -8.24 -31.23 -29.25 -31.54 . . 0 "[ . 1 . 2]"
163 . 1 102 LEU C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -97.02 -37.02 -69.43 -63.37 -66.24 . . 0 "[ . 1 . 2]"
164 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 ARG N -67.77 -7.77 -37.47 -40.58 -41.55 . . 0 "[ . 1 . 2]"
165 . 1 103 GLU C 1 104 ARG N 1 104 ARG CA 1 104 ARG C -93.39 -33.39 -71.19 -81.09 -60.35 . . 0 "[ . 1 . 2]"
166 . 1 104 ARG N 1 104 ARG CA 1 104 ARG C 1 105 ASN N -56.00 4.00 -30.38 -34.65 -38.38 . . 0 "[ . 1 . 2]"
167 . 1 105 ASN C 1 106 ASP N 1 106 ASP CA 1 106 ASP C 30.76 90.76 62.60 53.19 66.72 . . 0 "[ . 1 . 2]"
168 . 1 106 ASP N 1 106 ASP CA 1 106 ASP C 1 107 ASN N 5.42 65.42 59.50 21.86 67.63 2.21 4 0 "[ . 1 . 2]"
169 . 1 107 ASN C 1 108 THR N 1 108 THR CA 1 108 THR C -140.87 -80.87 -91.78 -109.91 -120.07 3.88 5 0 "[ . 1 . 2]"
170 . 1 108 THR N 1 108 THR CA 1 108 THR C 1 109 VAL N 103.04 163.04 104.75 113.79 107.51 3.79 9 0 "[ . 1 . 2]"
171 . 1 108 THR C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -140.04 -80.04 -96.13 -89.99 -92.65 . . 0 "[ . 1 . 2]"
172 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 ARG N 92.05 152.05 143.76 130.23 153.87 1.82 15 0 "[ . 1 . 2]"
173 . 1 109 VAL C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -155.61 -95.61 -141.04 -149.18 -133.36 . . 0 "[ . 1 . 2]"
174 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 VAL N 126.27 -173.73 134.24 123.07 146.38 3.20 6 0 "[ . 1 . 2]"
175 . 1 110 ARG C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -143.78 -83.78 -94.46 -111.05 -82.37 1.41 11 0 "[ . 1 . 2]"
176 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 SER N 111.26 171.26 147.91 149.16 147.27 . . 0 "[ . 1 . 2]"
177 . 1 111 VAL C 1 112 SER N 1 112 SER CA 1 112 SER C -103.78 -43.78 -59.68 -69.11 -50.53 . . 0 "[ . 1 . 2]"
178 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 LYS N 127.19 -172.81 145.06 145.54 144.59 . . 0 "[ . 1 . 2]"
179 . 1 112 SER C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -86.77 -26.77 -55.72 -69.26 -45.80 . . 0 "[ . 1 . 2]"
180 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 THR N -72.14 -12.14 -34.56 -28.08 -29.91 . . 0 "[ . 1 . 2]"
181 . 1 113 LYS C 1 114 THR N 1 114 THR CA 1 114 THR C -95.53 -35.53 -68.72 -67.98 -68.82 . . 0 "[ . 1 . 2]"
182 . 1 114 THR N 1 114 THR CA 1 114 THR C 1 115 LEU N -68.53 -8.53 -51.29 -53.18 -54.25 . . 0 "[ . 1 . 2]"
183 . 1 114 THR C 1 115 LEU N 1 115 LEU CA 1 115 LEU C -95.95 -35.95 -60.91 -60.07 -61.22 . . 0 "[ . 1 . 2]"
184 . 1 115 LEU N 1 115 LEU CA 1 115 LEU C 1 116 GLN N -70.75 -10.75 -32.69 -30.61 -31.99 . . 0 "[ . 1 . 2]"
185 . 1 115 LEU C 1 116 GLN N 1 116 GLN CA 1 116 GLN C -92.25 -32.25 -65.81 -76.92 -51.06 . . 0 "[ . 1 . 2]"
186 . 1 116 GLN N 1 116 GLN CA 1 116 GLN C 1 117 ARG N -70.82 -10.82 -44.55 -57.03 -30.46 . . 0 "[ . 1 . 2]"
187 . 1 116 GLN C 1 117 ARG N 1 117 ARG CA 1 117 ARG C -100.52 -40.52 -87.21 -81.61 -83.25 3.64 4 0 "[ . 1 . 2]"
188 . 1 117 ARG N 1 117 ARG CA 1 117 ARG C 1 118 PHE N -71.23 -11.23 -26.78 -12.81 -20.11 2.01 19 0 "[ . 1 . 2]"
189 . 1 117 ARG C 1 118 PHE N 1 118 PHE CA 1 118 PHE C -108.96 -48.96 -85.84 -106.50 -67.89 . . 0 "[ . 1 . 2]"
190 . 1 118 PHE N 1 118 PHE CA 1 118 PHE C 1 119 ALA N -65.31 -5.31 -48.59 -54.94 -57.37 . . 0 "[ . 1 . 2]"
191 . 1 118 PHE C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -120.32 -60.32 -112.49 -123.42 -95.08 3.10 15 0 "[ . 1 . 2]"
192 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 TRP N -59.95 0.05 -54.97 -62.47 -36.24 2.52 19 0 "[ . 1 . 2]"
193 . 1 45 ILE N 1 45 ILE CA 1 45 ILE CB 1 45 ILE CG1 -80.00 -40.00 -58.39 -65.74 -51.37 . . 0 "[ . 1 . 2]"
194 . 1 45 ILE CA 1 45 ILE CB 1 45 ILE CG1 1 45 ILE CD1 160.00 -160.00 179.68 174.64 173.04 . . 0 "[ . 1 . 2]"
195 . 1 65 ARG CA 1 65 ARG CB 1 65 ARG CG 1 65 ARG CD 160.00 -160.00 175.32 -176.53 178.89 . . 0 "[ . 1 . 2]"
196 . 1 76 GLU CA 1 76 GLU CB 1 76 GLU CG 1 76 GLU CD 160.00 -160.00 -179.45 176.50 174.16 . . 0 "[ . 1 . 2]"
197 . 1 92 LYS CA 1 92 LYS CB 1 92 LYS CG 1 92 LYS CD 160.00 -160.00 -177.51 -171.79 -175.65 1.65 4 0 "[ . 1 . 2]"
198 . 1 98 LEU N 1 98 LEU CA 1 98 LEU CB 1 98 LEU CG 160.00 -160.00 -175.99 -174.05 -175.51 . . 0 "[ . 1 . 2]"
199 . 1 98 LEU CA 1 98 LEU CB 1 98 LEU CG 1 98 LEU CD1 40.00 80.00 57.69 56.77 54.33 . . 0 "[ . 1 . 2]"
200 . 1 115 LEU N 1 115 LEU CA 1 115 LEU CB 1 115 LEU CG -80.00 -40.00 -72.97 -80.57 -56.77 0.57 5 0 "[ . 1 . 2]"
201 . 1 115 LEU CA 1 115 LEU CB 1 115 LEU CG 1 115 LEU CD1 160.00 -160.00 174.68 168.50 -171.64 . . 0 "[ . 1 . 2]"
202 . 1 120 TRP N 1 120 TRP CA 1 120 TRP CB 1 120 TRP CG 160.00 -160.00 -166.35 -175.78 -158.91 1.09 4 0 "[ . 1 . 2]"
203 . 1 120 TRP CA 1 120 TRP CB 1 120 TRP CG 1 120 TRP CD1 -110.00 -70.00 -101.97 -95.88 -99.73 0.48 10 0 "[ . 1 . 2]"
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