NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485492 |
2k50   |
15819 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k50
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 214
_TA_constraint_stats_list.Viol_count 658
_TA_constraint_stats_list.Viol_total 14760.46
_TA_constraint_stats_list.Viol_max 6.94
_TA_constraint_stats_list.Viol_rms 0.59
_TA_constraint_stats_list.Viol_average_all_restraints 0.17
_TA_constraint_stats_list.Viol_average_violations_only 1.12
_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 9 THR C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -82.41 -42.41 -56.18 -67.30 -42.44 . . 0 "[ . 1 . 2]"
2 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 SER N -62.32 -22.32 -33.51 -39.75 -40.64 0.79 9 0 "[ . 1 . 2]"
3 . 1 10 ILE C 1 11 SER N 1 11 SER CA 1 11 SER C -83.53 -43.53 -64.49 -61.89 -65.19 . . 0 "[ . 1 . 2]"
4 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 LYS N -47.39 -7.39 -29.23 -38.15 -6.86 0.53 12 0 "[ . 1 . 2]"
5 . 1 16 GLY C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -93.95 -53.95 -87.65 -93.97 -94.17 1.43 20 0 "[ . 1 . 2]"
6 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 GLU N 122.21 162.21 146.04 124.17 162.62 0.41 19 0 "[ . 1 . 2]"
7 . 1 17 ALA C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -132.58 -92.58 -109.59 -123.83 -92.63 . . 0 "[ . 1 . 2]"
8 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 THR N 111.56 151.56 109.04 110.11 109.75 4.19 3 0 "[ . 1 . 2]"
9 . 1 18 GLU C 1 19 THR N 1 19 THR CA 1 19 THR C -149.22 -109.22 -152.11 -150.88 -151.52 4.56 17 0 "[ . 1 . 2]"
10 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 PRO N 122.26 162.26 152.54 153.07 152.78 . . 0 "[ . 1 . 2]"
11 . 1 20 PRO C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -164.64 -124.64 -124.68 -125.16 -126.68 2.01 8 0 "[ . 1 . 2]"
12 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 THR N 132.35 172.35 153.29 159.65 157.93 . . 0 "[ . 1 . 2]"
13 . 1 21 VAL C 1 22 THR N 1 22 THR CA 1 22 THR C -145.00 -105.00 -132.80 -145.66 -107.55 0.66 9 0 "[ . 1 . 2]"
14 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 GLY N 114.96 154.96 143.08 131.25 151.80 . . 0 "[ . 1 . 2]"
15 . 1 24 ARG C 1 25 VAL N 1 25 VAL CA 1 25 VAL C -102.98 -62.98 -65.42 -62.92 -64.21 1.23 2 0 "[ . 1 . 2]"
16 . 1 25 VAL N 1 25 VAL CA 1 25 VAL C 1 26 MET N 107.70 147.70 115.99 107.48 107.27 1.32 7 0 "[ . 1 . 2]"
17 . 1 26 MET C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -150.14 -110.14 -130.87 -130.41 -131.99 . . 0 "[ . 1 . 2]"
18 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 ILE N 123.52 163.52 138.78 125.88 147.99 . . 0 "[ . 1 . 2]"
19 . 1 27 LYS C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -134.22 -94.22 -121.08 -132.57 -105.76 . . 0 "[ . 1 . 2]"
20 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 SER N 103.74 143.74 119.15 102.37 130.80 1.37 19 0 "[ . 1 . 2]"
21 . 1 31 PRO N 1 31 PRO CA 1 31 PRO C 1 32 ARG N 118.30 158.30 126.15 116.54 142.35 1.76 10 0 "[ . 1 . 2]"
22 . 1 31 PRO C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -135.20 -95.20 -95.36 -92.66 -93.49 2.54 2 0 "[ . 1 . 2]"
23 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 THR N 116.67 156.67 124.01 116.26 141.03 0.41 2 0 "[ . 1 . 2]"
24 . 1 32 ARG C 1 33 THR N 1 33 THR CA 1 33 THR C -123.48 -83.48 -88.87 -95.74 -82.68 0.80 16 0 "[ . 1 . 2]"
25 . 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 PHE N 117.06 157.06 136.88 141.41 138.99 . . 0 "[ . 1 . 2]"
26 . 1 33 THR C 1 34 PHE N 1 34 PHE CA 1 34 PHE C -157.76 -117.76 -137.64 -152.03 -117.57 0.19 18 0 "[ . 1 . 2]"
27 . 1 34 PHE N 1 34 PHE CA 1 34 PHE C 1 35 THR N 133.07 173.07 162.69 160.21 158.54 2.74 6 0 "[ . 1 . 2]"
28 . 1 34 PHE C 1 35 THR N 1 35 THR CA 1 35 THR C -126.04 -86.04 -89.87 -85.14 -85.35 1.47 15 0 "[ . 1 . 2]"
29 . 1 35 THR N 1 35 THR CA 1 35 THR C 1 36 THR N 105.65 145.65 113.46 104.56 133.31 1.09 2 0 "[ . 1 . 2]"
30 . 1 35 THR C 1 36 THR N 1 36 THR CA 1 36 THR C -118.20 -78.20 -96.14 -92.53 -95.77 0.12 11 0 "[ . 1 . 2]"
31 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 ARG N 147.25 -172.75 172.68 168.45 152.98 2.64 5 0 "[ . 1 . 2]"
32 . 1 39 GLY C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -126.03 -86.03 -98.71 -128.37 -84.03 2.34 9 0 "[ . 1 . 2]"
33 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 GLU N 119.71 159.71 159.41 146.86 162.94 3.23 6 0 "[ . 1 . 2]"
34 . 1 42 GLY C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -160.41 -120.41 -145.19 -148.98 -149.37 . . 0 "[ . 1 . 2]"
35 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 LEU N 149.21 -170.79 154.16 155.99 155.26 0.57 15 0 "[ . 1 . 2]"
36 . 1 43 LYS C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -154.21 -114.21 -143.56 -150.79 -132.78 . . 0 "[ . 1 . 2]"
37 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 ALA N 124.17 164.17 138.15 132.32 129.82 . . 0 "[ . 1 . 2]"
38 . 1 44 LEU C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -159.09 -119.09 -124.97 -138.26 -117.52 1.57 9 0 "[ . 1 . 2]"
39 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 ASN N 123.52 163.52 145.83 144.90 144.31 . . 0 "[ . 1 . 2]"
40 . 1 45 ALA C 1 46 ASN N 1 46 ASN CA 1 46 ASN C -131.88 -91.88 -112.85 -106.78 -107.96 . . 0 "[ . 1 . 2]"
41 . 1 46 ASN N 1 46 ASN CA 1 46 ASN C 1 47 VAL N 112.05 152.05 111.47 110.25 115.74 1.80 9 0 "[ . 1 . 2]"
42 . 1 46 ASN C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -143.35 -103.35 -108.84 -110.97 -111.71 0.48 20 0 "[ . 1 . 2]"
43 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 ILE N 112.10 152.10 121.79 114.57 129.39 . . 0 "[ . 1 . 2]"
44 . 1 47 VAL C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -133.98 -93.98 -93.39 -93.17 -93.51 1.60 7 0 "[ . 1 . 2]"
45 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 ILE N 104.44 144.44 108.19 103.96 112.57 0.48 10 0 "[ . 1 . 2]"
46 . 1 48 ILE C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -146.96 -106.96 -106.97 -105.88 -106.12 1.25 2 0 "[ . 1 . 2]"
47 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 ALA N 138.58 178.58 143.16 136.70 158.81 1.88 12 0 "[ . 1 . 2]"
48 . 1 49 ILE C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -159.44 -119.44 -122.83 -133.87 -118.21 1.23 14 0 "[ . 1 . 2]"
49 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 ASP N 124.01 164.01 131.13 139.01 136.57 1.73 12 0 "[ . 1 . 2]"
50 . 1 51 ASP C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -83.92 -43.92 -60.51 -75.22 -52.00 . . 0 "[ . 1 . 2]"
51 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 THR N -38.41 1.59 -20.64 -24.24 -26.26 . . 0 "[ . 1 . 2]"
52 . 1 52 ASP C 1 53 THR N 1 53 THR CA 1 53 THR C -127.02 -87.02 -98.01 -119.37 -86.97 0.05 18 0 "[ . 1 . 2]"
53 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 GLY N -28.89 11.11 -3.18 -23.99 11.66 0.55 14 0 "[ . 1 . 2]"
54 . 1 53 THR C 1 54 GLY N 1 54 GLY CA 1 54 GLY C 126.39 166.39 146.96 125.75 167.18 0.79 7 0 "[ . 1 . 2]"
55 . 1 54 GLY N 1 54 GLY CA 1 54 GLY C 1 55 GLU N 126.01 166.01 168.43 166.85 170.29 4.28 15 0 "[ . 1 . 2]"
56 . 1 54 GLY C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -144.29 -104.29 -104.63 -114.89 -100.98 3.31 15 0 "[ . 1 . 2]"
57 . 1 55 GLU N 1 55 GLU CA 1 55 GLU C 1 56 LEU N 126.06 166.06 149.82 158.77 155.13 . . 0 "[ . 1 . 2]"
58 . 1 55 GLU C 1 56 LEU N 1 56 LEU CA 1 56 LEU C -158.70 -118.70 -134.77 -151.08 -120.73 . . 0 "[ . 1 . 2]"
59 . 1 56 LEU N 1 56 LEU CA 1 56 LEU C 1 57 ARG N 117.57 157.57 146.43 137.91 157.49 . . 0 "[ . 1 . 2]"
60 . 1 56 LEU C 1 57 ARG N 1 57 ARG CA 1 57 ARG C -135.29 -95.29 -98.51 -96.48 -97.96 2.33 13 0 "[ . 1 . 2]"
61 . 1 57 ARG N 1 57 ARG CA 1 57 ARG C 1 58 ALA N 100.72 140.72 106.06 100.29 112.04 0.43 15 0 "[ . 1 . 2]"
62 . 1 57 ARG C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -123.60 -83.60 -86.61 -84.40 -85.33 0.38 4 0 "[ . 1 . 2]"
63 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 VAL N 104.75 144.75 122.41 112.07 136.83 . . 0 "[ . 1 . 2]"
64 . 1 58 ALA C 1 59 VAL N 1 59 VAL CA 1 59 VAL C -129.55 -89.55 -100.62 -98.99 -101.89 . . 0 "[ . 1 . 2]"
65 . 1 59 VAL N 1 59 VAL CA 1 59 VAL C 1 60 PHE N 102.54 142.54 107.89 104.89 110.52 . . 0 "[ . 1 . 2]"
66 . 1 59 VAL C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -133.71 -93.71 -92.82 -92.61 -92.73 1.96 8 0 "[ . 1 . 2]"
67 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 TRP N 105.15 145.15 104.81 104.02 106.37 1.13 2 0 "[ . 1 . 2]"
68 . 1 60 PHE C 1 61 TRP N 1 61 TRP CA 1 61 TRP C -106.00 -66.00 -74.58 -73.36 -73.73 . . 0 "[ . 1 . 2]"
69 . 1 61 TRP N 1 61 TRP CA 1 61 TRP C 1 62 THR N 117.43 157.43 162.26 159.99 164.37 6.94 8 7 "[* * .* +*1 . *-2]"
70 . 1 61 TRP C 1 62 THR N 1 62 THR CA 1 62 THR C -79.42 -39.42 -39.83 -44.80 -36.86 2.56 1 0 "[ . 1 . 2]"
71 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 GLU N -55.68 -15.68 -35.90 -38.31 -39.64 . . 0 "[ . 1 . 2]"
72 . 1 62 THR C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -91.17 -51.17 -71.40 -72.89 -73.76 . . 0 "[ . 1 . 2]"
73 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 ASN N -49.13 -9.13 -31.91 -31.28 -33.26 . . 0 "[ . 1 . 2]"
74 . 1 64 ASN C 1 65 ILE N 1 65 ILE CA 1 65 ILE C -79.21 -39.21 -54.88 -58.43 -52.47 . . 0 "[ . 1 . 2]"
75 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 LYS N -61.05 -21.05 -34.24 -38.77 -27.98 . . 0 "[ . 1 . 2]"
76 . 1 65 ILE C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -83.50 -43.50 -58.87 -61.22 -63.51 . . 0 "[ . 1 . 2]"
77 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 LEU N -57.03 -17.03 -19.78 -29.07 -15.90 1.13 6 0 "[ . 1 . 2]"
78 . 1 68 LEU C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -95.25 -55.25 -77.34 -81.00 -82.89 . . 0 "[ . 1 . 2]"
79 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 LYS N -46.85 -6.85 -10.96 -21.20 -5.27 1.58 1 0 "[ . 1 . 2]"
80 . 1 71 PHE C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -136.24 -96.24 -121.02 -136.21 -108.71 . . 0 "[ . 1 . 2]"
81 . 1 72 ARG N 1 72 ARG CA 1 72 ARG C 1 73 GLU N 140.00 180.00 165.36 157.44 174.44 . . 0 "[ . 1 . 2]"
82 . 1 76 VAL C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -149.07 -109.07 -125.81 -130.09 -133.93 . . 0 "[ . 1 . 2]"
83 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 ARG N 146.45 -173.55 155.24 147.53 147.21 0.62 6 0 "[ . 1 . 2]"
84 . 1 77 ILE C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -150.20 -110.20 -126.16 -114.77 -115.29 0.06 10 0 "[ . 1 . 2]"
85 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 ILE N 112.52 152.52 113.39 109.76 121.70 2.76 11 0 "[ . 1 . 2]"
86 . 1 78 ARG C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -126.62 -86.62 -93.11 -105.56 -87.22 . . 0 "[ . 1 . 2]"
87 . 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 LYS N 99.31 139.31 123.54 126.32 125.25 . . 0 "[ . 1 . 2]"
88 . 1 79 ILE C 1 80 LYS N 1 80 LYS CA 1 80 LYS C -132.90 -92.90 -98.55 -115.33 -92.26 0.64 20 0 "[ . 1 . 2]"
89 . 1 80 LYS N 1 80 LYS CA 1 80 LYS C 1 81 ASP N 116.67 156.67 131.03 116.12 157.29 0.62 19 0 "[ . 1 . 2]"
90 . 1 81 ASP C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -151.70 -111.70 -135.78 -140.59 -121.83 . . 0 "[ . 1 . 2]"
91 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 ASN N 136.88 176.88 164.75 159.62 158.79 . . 0 "[ . 1 . 2]"
92 . 1 82 VAL C 1 83 ASN N 1 83 ASN CA 1 83 ASN C -143.13 -103.13 -107.38 -103.22 -104.95 0.46 2 0 "[ . 1 . 2]"
93 . 1 83 ASN N 1 83 ASN CA 1 83 ASN C 1 84 ILE N 118.72 158.72 123.55 117.87 136.89 0.85 11 0 "[ . 1 . 2]"
94 . 1 83 ASN C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -121.44 -81.44 -83.51 -81.30 -81.79 1.31 3 0 "[ . 1 . 2]"
95 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 ARG N 109.73 149.73 118.34 108.98 137.98 0.75 2 0 "[ . 1 . 2]"
96 . 1 92 LYS C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -161.06 -121.06 -141.07 -151.87 -127.42 . . 0 "[ . 1 . 2]"
97 . 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 ALA N 138.60 178.60 146.74 137.72 156.07 0.88 19 0 "[ . 1 . 2]"
98 . 1 93 GLU C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -145.52 -105.52 -125.33 -135.69 -112.89 . . 0 "[ . 1 . 2]"
99 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 HIS N 111.67 151.67 121.73 119.34 118.49 0.06 19 0 "[ . 1 . 2]"
100 . 1 94 ALA C 1 95 HIS N 1 95 HIS CA 1 95 HIS C -133.32 -93.32 -96.99 -112.17 -92.01 1.31 7 0 "[ . 1 . 2]"
101 . 1 95 HIS N 1 95 HIS CA 1 95 HIS C 1 96 LEU N 108.39 148.39 129.51 128.44 126.32 . . 0 "[ . 1 . 2]"
102 . 1 98 PRO N 1 98 PRO CA 1 98 PRO C 1 99 ARG N -43.61 -3.61 -26.74 -35.27 -36.79 . . 0 "[ . 1 . 2]"
103 . 1 98 PRO C 1 99 ARG N 1 99 ARG CA 1 99 ARG C -111.78 -71.78 -96.75 -112.56 -84.24 0.78 16 0 "[ . 1 . 2]"
104 . 1 99 ARG N 1 99 ARG CA 1 99 ARG C 1 100 SER N -20.53 19.47 -6.33 -21.02 11.63 0.49 13 0 "[ . 1 . 2]"
105 . 1 100 SER C 1 101 THR N 1 101 THR CA 1 101 THR C -141.35 -101.35 -119.12 -134.67 -100.81 0.54 16 0 "[ . 1 . 2]"
106 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 VAL N 141.42 -178.58 162.05 164.91 162.44 . . 0 "[ . 1 . 2]"
107 . 1 101 THR C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -158.87 -118.87 -123.44 -130.67 -118.22 0.65 15 0 "[ . 1 . 2]"
108 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 GLU N 121.79 161.79 137.53 146.36 139.70 0.20 17 0 "[ . 1 . 2]"
109 . 1 102 VAL C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -155.00 -115.00 -123.33 -142.30 -114.26 0.74 16 0 "[ . 1 . 2]"
110 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 VAL N 113.46 153.46 138.69 116.14 154.10 0.64 4 0 "[ . 1 . 2]"
111 . 1 103 GLU C 1 104 VAL N 1 104 VAL CA 1 104 VAL C -115.81 -75.81 -87.13 -80.71 -83.09 0.74 17 0 "[ . 1 . 2]"
112 . 1 104 VAL N 1 104 VAL CA 1 104 VAL C 1 105 LEU N 107.10 147.10 133.25 134.03 129.67 . . 0 "[ . 1 . 2]"
113 . 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 -70.00 -50.00 -59.60 -61.57 -62.34 . . 0 "[ . 1 . 2]"
114 . 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 1 10 ILE CD1 165.00 -165.00 -177.69 -174.55 -176.09 . . 0 "[ . 1 . 2]"
115 . 1 12 LYS N 1 12 LYS CA 1 12 LYS CB 1 12 LYS CG -70.00 -50.00 -64.61 -72.63 -48.56 2.63 2 0 "[ . 1 . 2]"
116 . 1 12 LYS CA 1 12 LYS CB 1 12 LYS CG 1 12 LYS CD -70.00 -50.00 -64.50 -71.22 -55.66 1.22 2 0 "[ . 1 . 2]"
117 . 1 13 LEU N 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG -70.00 -50.00 -61.16 -66.04 -67.14 1.11 9 0 "[ . 1 . 2]"
118 . 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG 1 13 LEU CD1 165.00 -165.00 -178.49 177.93 -166.94 . . 0 "[ . 1 . 2]"
119 . 1 14 GLU N 1 14 GLU CA 1 14 GLU CB 1 14 GLU CG 165.00 -165.00 -179.29 -166.05 -173.06 . . 0 "[ . 1 . 2]"
120 . 1 14 GLU CA 1 14 GLU CB 1 14 GLU CG 1 14 GLU CD 165.00 -165.00 179.47 168.76 -169.60 . . 0 "[ . 1 . 2]"
121 . 1 15 GLU N 1 15 GLU CA 1 15 GLU CB 1 15 GLU CG 50.00 70.00 56.61 49.48 64.81 0.52 11 0 "[ . 1 . 2]"
122 . 1 15 GLU CA 1 15 GLU CB 1 15 GLU CG 1 15 GLU CD 165.00 -165.00 -179.36 -178.99 178.77 . . 0 "[ . 1 . 2]"
123 . 1 18 GLU N 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG 165.00 -165.00 -177.51 178.27 -172.09 . . 0 "[ . 1 . 2]"
124 . 1 18 GLU CA 1 18 GLU CB 1 18 GLU CG 1 18 GLU CD 165.00 -165.00 178.13 176.01 175.18 . . 0 "[ . 1 . 2]"
125 . 1 24 ARG N 1 24 ARG CA 1 24 ARG CB 1 24 ARG CG -70.00 -50.00 -57.38 -57.33 -62.10 1.15 13 0 "[ . 1 . 2]"
126 . 1 24 ARG CA 1 24 ARG CB 1 24 ARG CG 1 24 ARG CD 165.00 -165.00 -176.34 163.42 -164.30 1.58 3 0 "[ . 1 . 2]"
127 . 1 26 MET N 1 26 MET CA 1 26 MET CB 1 26 MET CG 165.00 -165.00 -177.59 179.47 -174.90 . . 0 "[ . 1 . 2]"
128 . 1 26 MET CA 1 26 MET CB 1 26 MET CG 1 26 MET SD 165.00 -165.00 176.93 171.65 -178.44 . . 0 "[ . 1 . 2]"
129 . 1 27 LYS N 1 27 LYS CA 1 27 LYS CB 1 27 LYS CG -70.00 -50.00 -57.96 -66.69 -50.05 . . 0 "[ . 1 . 2]"
130 . 1 27 LYS CA 1 27 LYS CB 1 27 LYS CG 1 27 LYS CD -70.00 -50.00 -56.31 -54.41 -55.73 . . 0 "[ . 1 . 2]"
131 . 1 28 ILE N 1 28 ILE CA 1 28 ILE CB 1 28 ILE CG1 -70.00 -50.00 -60.77 -64.38 -57.21 . . 0 "[ . 1 . 2]"
132 . 1 28 ILE CA 1 28 ILE CB 1 28 ILE CG1 1 28 ILE CD1 165.00 -165.00 179.57 178.65 177.76 . . 0 "[ . 1 . 2]"
133 . 1 32 ARG N 1 32 ARG CA 1 32 ARG CB 1 32 ARG CG 165.00 -165.00 -176.90 172.60 -166.71 . . 0 "[ . 1 . 2]"
134 . 1 32 ARG CA 1 32 ARG CB 1 32 ARG CG 1 32 ARG CD 165.00 -165.00 178.99 -176.45 -178.21 . . 0 "[ . 1 . 2]"
135 . 1 34 PHE N 1 34 PHE CA 1 34 PHE CB 1 34 PHE CG 50.00 70.00 60.99 55.42 65.77 . . 0 "[ . 1 . 2]"
136 . 1 34 PHE CA 1 34 PHE CB 1 34 PHE CG 1 34 PHE CD1 -100.00 -80.00 -94.42 -100.39 -91.22 0.39 20 0 "[ . 1 . 2]"
137 . 1 40 ARG N 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG -80.00 -60.00 -67.79 -79.04 -58.59 1.41 14 0 "[ . 1 . 2]"
138 . 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG 1 40 ARG CD -180.00 -160.00 -173.18 177.27 -159.46 2.73 5 0 "[ . 1 . 2]"
139 . 1 41 GLU N 1 41 GLU CA 1 41 GLU CB 1 41 GLU CG 50.00 70.00 57.86 49.70 70.14 0.30 6 0 "[ . 1 . 2]"
140 . 1 41 GLU CA 1 41 GLU CB 1 41 GLU CG 1 41 GLU CD 165.00 -165.00 -175.58 -164.94 -169.45 0.67 13 0 "[ . 1 . 2]"
141 . 1 43 LYS N 1 43 LYS CA 1 43 LYS CB 1 43 LYS CG -70.00 -50.00 -71.06 -73.15 -54.14 3.15 6 0 "[ . 1 . 2]"
142 . 1 43 LYS CA 1 43 LYS CB 1 43 LYS CG 1 43 LYS CD 165.00 -165.00 177.43 173.52 171.01 . . 0 "[ . 1 . 2]"
143 . 1 46 ASN N 1 46 ASN CA 1 46 ASN CB 1 46 ASN CG -70.00 -50.00 -63.11 -61.34 -61.53 . . 0 "[ . 1 . 2]"
144 . 1 46 ASN CA 1 46 ASN CB 1 46 ASN CG 1 46 ASN OD1 -100.00 -80.00 -90.31 -90.18 -90.91 . . 0 "[ . 1 . 2]"
145 . 1 48 ILE N 1 48 ILE CA 1 48 ILE CB 1 48 ILE CG1 -70.00 -50.00 -55.54 -54.37 -55.29 . . 0 "[ . 1 . 2]"
146 . 1 48 ILE CA 1 48 ILE CB 1 48 ILE CG1 1 48 ILE CD1 -70.00 -50.00 -60.72 -62.91 -56.64 . . 0 "[ . 1 . 2]"
147 . 1 49 ILE N 1 49 ILE CA 1 49 ILE CB 1 49 ILE CG1 50.00 70.00 58.53 56.38 62.18 . . 0 "[ . 1 . 2]"
148 . 1 49 ILE CA 1 49 ILE CB 1 49 ILE CG1 1 49 ILE CD1 165.00 -165.00 178.67 179.80 179.08 . . 0 "[ . 1 . 2]"
149 . 1 51 ASP N 1 51 ASP CA 1 51 ASP CB 1 51 ASP CG 165.00 -165.00 178.68 177.33 174.18 . . 0 "[ . 1 . 2]"
150 . 1 51 ASP CA 1 51 ASP CB 1 51 ASP CG 1 51 ASP OD1 50.00 70.00 69.31 69.78 66.58 1.09 12 0 "[ . 1 . 2]"
151 . 1 56 LEU N 1 56 LEU CA 1 56 LEU CB 1 56 LEU CG 165.00 -165.00 -173.90 176.71 -168.58 . . 0 "[ . 1 . 2]"
152 . 1 56 LEU CA 1 56 LEU CB 1 56 LEU CG 1 56 LEU CD1 50.00 70.00 68.07 64.33 71.38 1.38 14 0 "[ . 1 . 2]"
153 . 1 57 ARG N 1 57 ARG CA 1 57 ARG CB 1 57 ARG CG 165.00 -165.00 -178.12 177.11 174.06 0.58 9 0 "[ . 1 . 2]"
154 . 1 57 ARG CA 1 57 ARG CB 1 57 ARG CG 1 57 ARG CD 165.00 -165.00 -177.65 -171.47 -176.23 1.11 9 0 "[ . 1 . 2]"
155 . 1 60 PHE N 1 60 PHE CA 1 60 PHE CB 1 60 PHE CG -80.00 -60.00 -70.77 -73.26 -66.13 . . 0 "[ . 1 . 2]"
156 . 1 60 PHE CA 1 60 PHE CB 1 60 PHE CG 1 60 PHE CD1 60.00 80.00 68.35 60.39 74.20 . . 0 "[ . 1 . 2]"
157 . 1 61 TRP N 1 61 TRP CA 1 61 TRP CB 1 61 TRP CG -70.00 -50.00 -67.44 -67.64 -68.11 1.08 11 0 "[ . 1 . 2]"
158 . 1 61 TRP CA 1 61 TRP CB 1 61 TRP CG 1 61 TRP CD1 80.00 100.00 96.89 94.12 93.87 0.45 18 0 "[ . 1 . 2]"
159 . 1 63 GLU N 1 63 GLU CA 1 63 GLU CB 1 63 GLU CG -70.00 -50.00 -56.35 -59.30 -62.44 0.74 4 0 "[ . 1 . 2]"
160 . 1 63 GLU CA 1 63 GLU CB 1 63 GLU CG 1 63 GLU CD -70.00 -50.00 -60.09 -70.45 -49.92 0.45 18 0 "[ . 1 . 2]"
161 . 1 64 ASN N 1 64 ASN CA 1 64 ASN CB 1 64 ASN CG -70.00 -40.00 -57.11 -65.28 -51.33 . . 0 "[ . 1 . 2]"
162 . 1 64 ASN CA 1 64 ASN CB 1 64 ASN CG 1 64 ASN OD1 80.00 120.00 90.51 87.87 93.25 . . 0 "[ . 1 . 2]"
163 . 1 65 ILE N 1 65 ILE CA 1 65 ILE CB 1 65 ILE CG1 -70.00 -50.00 -61.99 -60.90 -61.65 . . 0 "[ . 1 . 2]"
164 . 1 65 ILE CA 1 65 ILE CB 1 65 ILE CG1 1 65 ILE CD1 -70.00 -50.00 -63.01 -63.83 -64.54 . . 0 "[ . 1 . 2]"
165 . 1 66 LYS N 1 66 LYS CA 1 66 LYS CB 1 66 LYS CG 50.00 70.00 59.07 53.66 64.08 . . 0 "[ . 1 . 2]"
166 . 1 66 LYS CA 1 66 LYS CB 1 66 LYS CG 1 66 LYS CD 165.00 -165.00 178.93 167.31 -164.85 0.15 10 0 "[ . 1 . 2]"
167 . 1 67 LEU N 1 67 LEU CA 1 67 LEU CB 1 67 LEU CG -70.00 -50.00 -59.02 -62.26 -56.11 . . 0 "[ . 1 . 2]"
168 . 1 67 LEU CA 1 67 LEU CB 1 67 LEU CG 1 67 LEU CD1 165.00 -165.00 177.84 178.91 178.88 . . 0 "[ . 1 . 2]"
169 . 1 68 LEU N 1 68 LEU CA 1 68 LEU CB 1 68 LEU CG -70.00 -50.00 -63.27 -61.83 -62.54 . . 0 "[ . 1 . 2]"
170 . 1 68 LEU CA 1 68 LEU CB 1 68 LEU CG 1 68 LEU CD1 165.00 -165.00 176.55 175.22 178.18 . . 0 "[ . 1 . 2]"
171 . 1 69 LYS N 1 69 LYS CA 1 69 LYS CB 1 69 LYS CG 50.00 70.00 61.90 53.54 68.96 . . 0 "[ . 1 . 2]"
172 . 1 69 LYS CA 1 69 LYS CB 1 69 LYS CG 1 69 LYS CD 165.00 -165.00 -178.99 171.40 -171.08 . . 0 "[ . 1 . 2]"
173 . 1 70 LYS N 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG -70.00 -50.00 -61.98 -70.23 -55.81 0.23 2 0 "[ . 1 . 2]"
174 . 1 70 LYS CA 1 70 LYS CB 1 70 LYS CG 1 70 LYS CD 165.00 -165.00 -175.86 173.14 -164.62 0.38 10 0 "[ . 1 . 2]"
175 . 1 71 PHE N 1 71 PHE CA 1 71 PHE CB 1 71 PHE CG 50.00 70.00 56.92 54.15 60.61 . . 0 "[ . 1 . 2]"
176 . 1 71 PHE CA 1 71 PHE CB 1 71 PHE CG 1 71 PHE CD1 -100.00 -60.00 -86.13 -89.74 -84.32 . . 0 "[ . 1 . 2]"
177 . 1 72 ARG N 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG -70.00 -50.00 -58.24 -55.98 -57.06 0.60 3 0 "[ . 1 . 2]"
178 . 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG 1 72 ARG CD 165.00 -165.00 176.05 173.59 168.66 1.66 16 0 "[ . 1 . 2]"
179 . 1 73 GLU N 1 73 GLU CA 1 73 GLU CB 1 73 GLU CG 165.00 -165.00 -172.29 -168.99 -170.36 . . 0 "[ . 1 . 2]"
180 . 1 73 GLU CA 1 73 GLU CB 1 73 GLU CG 1 73 GLU CD 165.00 -165.00 -178.13 -175.90 -175.93 . . 0 "[ . 1 . 2]"
181 . 1 75 ASP N 1 75 ASP CA 1 75 ASP CB 1 75 ASP CG -80.00 -50.00 -60.90 -60.00 -61.54 . . 0 "[ . 1 . 2]"
182 . 1 75 ASP CA 1 75 ASP CB 1 75 ASP CG 1 75 ASP OD1 -60.00 0.00 -52.81 -61.36 -23.29 1.36 7 0 "[ . 1 . 2]"
183 . 1 77 ILE N 1 77 ILE CA 1 77 ILE CB 1 77 ILE CG1 50.00 70.00 61.34 61.14 61.01 . . 0 "[ . 1 . 2]"
184 . 1 77 ILE CA 1 77 ILE CB 1 77 ILE CG1 1 77 ILE CD1 165.00 -165.00 175.52 177.93 177.24 . . 0 "[ . 1 . 2]"
185 . 1 78 ARG N 1 78 ARG CA 1 78 ARG CB 1 78 ARG CG 165.00 -165.00 178.87 175.46 172.39 . . 0 "[ . 1 . 2]"
186 . 1 78 ARG CA 1 78 ARG CB 1 78 ARG CG 1 78 ARG CD 165.00 -165.00 179.18 179.75 174.51 0.44 1 0 "[ . 1 . 2]"
187 . 1 79 ILE N 1 79 ILE CA 1 79 ILE CB 1 79 ILE CG1 -70.00 -50.00 -51.05 -50.44 -50.81 0.49 20 0 "[ . 1 . 2]"
188 . 1 79 ILE CA 1 79 ILE CB 1 79 ILE CG1 1 79 ILE CD1 165.00 -165.00 178.34 176.31 179.68 . . 0 "[ . 1 . 2]"
189 . 1 80 LYS N 1 80 LYS CA 1 80 LYS CB 1 80 LYS CG 165.00 -165.00 -170.07 -178.47 -162.30 2.70 11 0 "[ . 1 . 2]"
190 . 1 80 LYS CA 1 80 LYS CB 1 80 LYS CG 1 80 LYS CD 165.00 -165.00 174.67 164.66 -174.65 0.34 17 0 "[ . 1 . 2]"
191 . 1 81 ASP N 1 81 ASP CA 1 81 ASP CB 1 81 ASP CG -80.00 -50.00 -58.00 -56.52 -56.75 0.50 10 0 "[ . 1 . 2]"
192 . 1 81 ASP CA 1 81 ASP CB 1 81 ASP CG 1 81 ASP OD1 -60.00 0.00 -56.24 -38.13 -43.48 1.46 8 0 "[ . 1 . 2]"
193 . 1 83 ASN N 1 83 ASN CA 1 83 ASN CB 1 83 ASN CG -70.00 -50.00 -64.18 -66.77 -68.38 . . 0 "[ . 1 . 2]"
194 . 1 83 ASN CA 1 83 ASN CB 1 83 ASN CG 1 83 ASN OD1 140.00 180.00 148.96 147.79 146.54 . . 0 "[ . 1 . 2]"
195 . 1 84 ILE N 1 84 ILE CA 1 84 ILE CB 1 84 ILE CG1 -70.00 -50.00 -54.95 -61.93 -49.82 0.18 17 0 "[ . 1 . 2]"
196 . 1 84 ILE CA 1 84 ILE CB 1 84 ILE CG1 1 84 ILE CD1 -70.00 -50.00 -60.22 -64.57 -57.94 . . 0 "[ . 1 . 2]"
197 . 1 85 ARG N 1 85 ARG CA 1 85 ARG CB 1 85 ARG CG -70.00 -50.00 -61.81 -70.27 -52.84 0.27 15 0 "[ . 1 . 2]"
198 . 1 85 ARG CA 1 85 ARG CB 1 85 ARG CG 1 85 ARG CD -70.00 -50.00 -60.65 -62.32 -62.42 . . 0 "[ . 1 . 2]"
199 . 1 91 ARG N 1 91 ARG CA 1 91 ARG CB 1 91 ARG CG -70.00 -50.00 -62.33 -61.68 -63.37 1.88 4 0 "[ . 1 . 2]"
200 . 1 91 ARG CA 1 91 ARG CB 1 91 ARG CG 1 91 ARG CD 165.00 -165.00 179.68 169.15 -167.74 . . 0 "[ . 1 . 2]"
201 . 1 92 LYS N 1 92 LYS CA 1 92 LYS CB 1 92 LYS CG -70.00 -50.00 -57.16 -58.24 -60.37 1.08 4 0 "[ . 1 . 2]"
202 . 1 92 LYS CA 1 92 LYS CB 1 92 LYS CG 1 92 LYS CD 165.00 -165.00 -177.96 171.48 -168.80 . . 0 "[ . 1 . 2]"
203 . 1 93 GLU N 1 93 GLU CA 1 93 GLU CB 1 93 GLU CG 50.00 70.00 60.36 51.58 66.85 . . 0 "[ . 1 . 2]"
204 . 1 93 GLU CA 1 93 GLU CB 1 93 GLU CG 1 93 GLU CD 165.00 -165.00 -173.96 176.18 -164.45 0.55 19 0 "[ . 1 . 2]"
205 . 1 95 HIS N 1 95 HIS CA 1 95 HIS CB 1 95 HIS CG -80.00 -50.00 -71.77 -68.26 -69.76 . . 0 "[ . 1 . 2]"
206 . 1 95 HIS CA 1 95 HIS CB 1 95 HIS CG 1 95 HIS ND1 -120.00 -80.00 -116.55 -120.25 -120.66 1.64 5 0 "[ . 1 . 2]"
207 . 1 96 LEU N 1 96 LEU CA 1 96 LEU CB 1 96 LEU CG -100.00 -80.00 -78.40 -78.68 -78.75 2.56 11 0 "[ . 1 . 2]"
208 . 1 96 LEU CA 1 96 LEU CB 1 96 LEU CG 1 96 LEU CD1 55.00 80.00 66.83 67.60 66.77 . . 0 "[ . 1 . 2]"
209 . 1 97 MET N 1 97 MET CA 1 97 MET CB 1 97 MET CG -70.00 -50.00 -52.65 -68.78 -48.37 1.63 15 0 "[ . 1 . 2]"
210 . 1 97 MET CA 1 97 MET CB 1 97 MET CG 1 97 MET SD 150.00 180.00 169.97 162.42 176.01 . . 0 "[ . 1 . 2]"
211 . 1 99 ARG N 1 99 ARG CA 1 99 ARG CB 1 99 ARG CG -70.00 -50.00 -59.86 -58.89 -59.80 0.47 20 0 "[ . 1 . 2]"
212 . 1 99 ARG CA 1 99 ARG CB 1 99 ARG CG 1 99 ARG CD 165.00 -165.00 178.12 170.26 -169.50 . . 0 "[ . 1 . 2]"
213 . 1 103 GLU N 1 103 GLU CA 1 103 GLU CB 1 103 GLU CG 50.00 70.00 55.18 48.85 64.43 1.15 17 0 "[ . 1 . 2]"
214 . 1 103 GLU CA 1 103 GLU CB 1 103 GLU CG 1 103 GLU CD 165.00 -165.00 -175.23 -173.83 -176.77 0.41 18 0 "[ . 1 . 2]"
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