NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637146 |
6e3c   |
27435 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6e3c
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 174
_TA_constraint_stats_list.Viol_count 229
_TA_constraint_stats_list.Viol_total 6161.58
_TA_constraint_stats_list.Viol_max 4.92
_TA_constraint_stats_list.Viol_rms 0.44
_TA_constraint_stats_list.Viol_average_all_restraints 0.09
_TA_constraint_stats_list.Viol_average_violations_only 1.35
_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 12 SER C 1 13 TRP N 1 13 TRP CA 1 13 TRP C -143.00 -63.00 -81.77 -132.97 -60.27 2.73 16 0 "[ . 1 . 2]"
2 . 1 13 TRP N 1 13 TRP CA 1 13 TRP C 1 14 PRO N 91.41 171.41 128.33 154.80 134.17 2.51 3 0 "[ . 1 . 2]"
3 . 1 13 TRP C 1 14 PRO N 1 14 PRO CA 1 14 PRO C -104.58 -24.58 -72.84 -68.38 -70.38 . . 0 "[ . 1 . 2]"
4 . 1 14 PRO N 1 14 PRO CA 1 14 PRO C 1 15 LEU N 103.61 -176.39 114.36 179.99 160.53 4.34 6 0 "[ . 1 . 2]"
5 . 1 14 PRO C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -144.60 -64.60 -101.88 -88.16 -92.61 . . 0 "[ . 1 . 2]"
6 . 1 15 LEU N 1 15 LEU CA 1 15 LEU C 1 16 TYR N 89.78 179.78 153.12 165.17 161.57 2.02 16 0 "[ . 1 . 2]"
7 . 1 15 LEU C 1 16 TYR N 1 16 TYR CA 1 16 TYR C -173.88 -93.88 -108.30 -95.59 -102.95 2.18 9 0 "[ . 1 . 2]"
8 . 1 16 TYR N 1 16 TYR CA 1 16 TYR C 1 17 LYS N 117.10 -162.90 166.81 123.92 -161.29 1.61 10 0 "[ . 1 . 2]"
9 . 1 16 TYR C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -156.26 -76.26 -131.86 -158.70 -86.93 2.44 8 0 "[ . 1 . 2]"
10 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 ASP N 102.56 -177.44 143.12 131.64 127.98 3.74 6 0 "[ . 1 . 2]"
11 . 1 17 LYS C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -130.00 -50.00 -84.41 -127.84 -46.98 3.02 12 0 "[ . 1 . 2]"
12 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 ALA N 139.00 -141.00 -165.13 136.18 -139.21 2.82 12 0 "[ . 1 . 2]"
13 . 1 18 ASP C 1 19 ALA N 1 19 ALA CA 1 19 ALA C -106.00 -26.00 -70.09 -106.88 -55.53 0.88 12 0 "[ . 1 . 2]"
14 . 1 19 ALA N 1 19 ALA CA 1 19 ALA C 1 20 ASP N -60.00 20.00 -47.69 -42.07 -44.65 0.39 8 0 "[ . 1 . 2]"
15 . 1 19 ALA C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -127.00 -47.00 -102.90 -105.85 -108.50 . . 0 "[ . 1 . 2]"
16 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 GLY N -40.00 40.00 -8.23 -1.37 -4.20 . . 0 "[ . 1 . 2]"
17 . 1 20 ASP C 1 21 GLY N 1 21 GLY CA 1 21 GLY C 45.00 125.00 123.70 108.52 126.89 1.89 1 0 "[ . 1 . 2]"
18 . 1 21 GLY N 1 21 GLY CA 1 21 GLY C 1 22 VAL N -35.00 45.00 21.03 9.02 35.97 . . 0 "[ . 1 . 2]"
19 . 1 21 GLY C 1 22 VAL N 1 22 VAL CA 1 22 VAL C -116.00 -36.00 -79.04 -71.23 -73.74 0.48 17 0 "[ . 1 . 2]"
20 . 1 22 VAL N 1 22 VAL CA 1 22 VAL C 1 23 TYR N 100.00 180.00 123.07 100.04 160.04 . . 0 "[ . 1 . 2]"
21 . 1 22 VAL C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -154.00 -74.00 -88.05 -82.31 -83.54 0.31 7 0 "[ . 1 . 2]"
22 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 VAL N 96.00 176.00 147.80 132.84 175.27 . . 0 "[ . 1 . 2]"
23 . 1 23 TYR C 1 24 VAL N 1 24 VAL CA 1 24 VAL C -148.00 -68.00 -145.72 -150.79 -134.26 2.79 11 0 "[ . 1 . 2]"
24 . 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 SER N 90.00 170.00 135.89 120.33 145.68 . . 0 "[ . 1 . 2]"
25 . 1 25 SER C 1 26 ALA N 1 26 ALA CA 1 26 ALA C 173.00 -107.00 -108.41 -106.74 -108.28 2.43 17 0 "[ . 1 . 2]"
26 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 LEU N 118.00 -162.00 121.98 115.15 137.46 2.85 16 0 "[ . 1 . 2]"
27 . 1 26 ALA C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -116.00 -36.00 -108.23 -118.92 -96.33 2.92 16 0 "[ . 1 . 2]"
28 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 PRO N 99.00 179.00 101.81 100.52 99.40 2.26 13 0 "[ . 1 . 2]"
29 . 1 27 LEU C 1 28 PRO N 1 28 PRO CA 1 28 PRO C -103.64 -23.64 -68.72 -64.99 -66.02 . . 0 "[ . 1 . 2]"
30 . 1 28 PRO N 1 28 PRO CA 1 28 PRO C 1 29 ILE N 102.00 -178.00 123.06 134.52 128.05 0.36 1 0 "[ . 1 . 2]"
31 . 1 28 PRO C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -132.00 -52.00 -81.58 -120.29 -66.36 . . 0 "[ . 1 . 2]"
32 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 LYS N 87.00 167.00 103.24 86.33 117.42 0.67 16 0 "[ . 1 . 2]"
33 . 1 29 ILE C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -118.00 -38.00 -77.38 -98.10 -63.24 . . 0 "[ . 1 . 2]"
34 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 ALA N -75.00 5.00 -59.59 -73.69 -74.01 . . 0 "[ . 1 . 2]"
35 . 1 30 LYS C 1 31 ALA N 1 31 ALA CA 1 31 ALA C 162.00 -118.00 -157.66 -166.08 -138.94 . . 0 "[ . 1 . 2]"
36 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ILE N 116.00 -164.00 157.98 143.75 169.97 . . 0 "[ . 1 . 2]"
37 . 1 31 ALA C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -166.00 -86.00 -137.26 -146.56 -115.51 . . 0 "[ . 1 . 2]"
38 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 LYS N 90.00 170.00 142.21 151.81 146.67 . . 0 "[ . 1 . 2]"
39 . 1 32 ILE C 1 33 LYS N 1 33 LYS CA 1 33 LYS C -153.00 -73.00 -121.40 -146.67 -91.55 . . 0 "[ . 1 . 2]"
40 . 1 33 LYS N 1 33 LYS CA 1 33 LYS C 1 34 TYR N 62.00 -168.00 115.25 144.06 133.24 . . 0 "[ . 1 . 2]"
41 . 1 33 LYS C 1 34 TYR N 1 34 TYR CA 1 34 TYR C -147.00 -17.00 -86.68 -110.53 -65.56 . . 0 "[ . 1 . 2]"
42 . 1 34 TYR N 1 34 TYR CA 1 34 TYR C 1 35 ALA N 79.00 -171.00 115.09 111.43 108.42 . . 0 "[ . 1 . 2]"
43 . 1 34 TYR C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -133.00 -53.00 -87.29 -114.20 -75.84 . . 0 "[ . 1 . 2]"
44 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 ASN N 127.00 -153.00 160.48 158.11 153.26 . . 0 "[ . 1 . 2]"
45 . 1 35 ALA C 1 36 ASN N 1 36 ASN CA 1 36 ASN C -104.07 -24.07 -68.64 -61.36 -63.63 . . 0 "[ . 1 . 2]"
46 . 1 36 ASN N 1 36 ASN CA 1 36 ASN C 1 37 ASP N -61.49 18.51 -19.68 -52.92 -8.47 . . 0 "[ . 1 . 2]"
47 . 1 36 ASN C 1 37 ASP N 1 37 ASP CA 1 37 ASP C -127.45 -47.45 -83.19 -67.44 -71.36 . . 0 "[ . 1 . 2]"
48 . 1 37 ASP N 1 37 ASP CA 1 37 ASP C 1 38 GLY N -37.08 42.92 -16.17 -28.79 17.24 . . 0 "[ . 1 . 2]"
49 . 1 38 GLY C 1 39 SER N 1 39 SER CA 1 39 SER C -116.16 -36.16 -67.48 -57.18 -60.08 . . 0 "[ . 1 . 2]"
50 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 ALA N 110.01 -169.99 151.96 131.75 176.71 . . 0 "[ . 1 . 2]"
51 . 1 39 SER C 1 40 ALA N 1 40 ALA CA 1 40 ALA C 178.92 -101.08 -127.99 -127.98 -134.11 0.80 8 0 "[ . 1 . 2]"
52 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 ASN N 114.38 -165.62 138.42 113.97 -164.47 1.15 20 0 "[ . 1 . 2]"
53 . 1 41 ASN C 1 42 ALA N 1 42 ALA CA 1 42 ALA C -139.44 -59.44 -104.23 -89.85 -92.05 . . 0 "[ . 1 . 2]"
54 . 1 42 ALA N 1 42 ALA CA 1 42 ALA C 1 43 GLU N 91.74 171.74 133.57 147.95 135.39 4.17 19 0 "[ . 1 . 2]"
55 . 1 42 ALA C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -160.00 -50.00 -109.82 -162.34 -64.16 2.34 2 0 "[ . 1 . 2]"
56 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 PHE N 90.29 170.29 117.37 89.73 144.55 0.56 13 0 "[ . 1 . 2]"
57 . 1 43 GLU C 1 44 PHE N 1 44 PHE CA 1 44 PHE C 177.15 -62.85 -101.50 -62.36 -91.18 3.52 8 0 "[ . 1 . 2]"
58 . 1 44 PHE N 1 44 PHE CA 1 44 PHE C 1 45 ASP N 106.98 -173.02 156.78 153.98 152.03 . . 0 "[ . 1 . 2]"
59 . 1 47 PRO C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -148.47 -68.47 -125.80 -136.25 -138.38 . . 0 "[ . 1 . 2]"
60 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 ALA N 103.40 -176.60 170.61 -177.95 165.68 3.28 14 0 "[ . 1 . 2]"
61 . 1 48 TYR C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -115.00 -35.00 -78.84 -69.31 -86.20 0.48 4 0 "[ . 1 . 2]"
62 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ASP N 115.00 -165.00 169.97 -160.69 -160.78 4.31 2 0 "[ . 1 . 2]"
63 . 1 51 GLN C 1 52 TYR N 1 52 TYR CA 1 52 TYR C -153.71 -73.71 -94.38 -75.66 -79.33 2.04 2 0 "[ . 1 . 2]"
64 . 1 52 TYR N 1 52 TYR CA 1 52 TYR C 1 53 MET N 112.99 -167.01 137.53 111.76 -165.70 1.31 18 0 "[ . 1 . 2]"
65 . 1 54 SER C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -102.54 -22.54 -62.23 -66.92 -53.01 . . 0 "[ . 1 . 2]"
66 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 GLN N -75.93 4.07 -38.44 -41.71 -48.82 . . 0 "[ . 1 . 2]"
67 . 1 55 ALA C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -106.12 -26.12 -62.24 -68.60 -56.61 . . 0 "[ . 1 . 2]"
68 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 THR N -79.73 0.27 -35.01 -44.77 -26.36 . . 0 "[ . 1 . 2]"
69 . 1 56 GLN C 1 57 THR N 1 57 THR CA 1 57 THR C -106.68 -26.68 -73.51 -74.13 -74.83 . . 0 "[ . 1 . 2]"
70 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 VAL N -82.66 -2.66 -41.09 -51.82 -36.62 . . 0 "[ . 1 . 2]"
71 . 1 57 THR C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -101.08 -21.08 -70.66 -69.04 -69.62 . . 0 "[ . 1 . 2]"
72 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 ALA N -82.79 -2.79 -21.92 -32.31 -7.61 . . 0 "[ . 1 . 2]"
73 . 1 58 VAL C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -105.22 -25.22 -70.00 -71.36 -72.33 . . 0 "[ . 1 . 2]"
74 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 VAL N -78.75 1.25 -34.12 -38.88 -27.70 . . 0 "[ . 1 . 2]"
75 . 1 59 ALA C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -111.00 -31.00 -94.48 -92.38 -93.82 . . 0 "[ . 1 . 2]"
76 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 PHE N -76.00 4.00 -31.16 -30.20 -30.99 . . 0 "[ . 1 . 2]"
77 . 1 60 VAL C 1 61 PHE N 1 61 PHE CA 1 61 PHE C -130.05 -50.05 -106.17 -95.41 -102.12 . . 0 "[ . 1 . 2]"
78 . 1 61 PHE N 1 61 PHE CA 1 61 PHE C 1 62 LYS N -39.31 40.69 16.76 6.78 24.53 . . 0 "[ . 1 . 2]"
79 . 1 63 PRO C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -165.97 -75.97 -140.65 -156.95 -127.05 . . 0 "[ . 1 . 2]"
80 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 VAL N 115.00 -165.00 140.33 123.45 164.63 . . 0 "[ . 1 . 2]"
81 . 1 64 GLU C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -97.01 -17.01 -78.55 -60.18 -69.08 . . 0 "[ . 1 . 2]"
82 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 GLY N 85.71 175.71 114.14 100.51 130.45 . . 0 "[ . 1 . 2]"
83 . 1 65 VAL C 1 66 GLY N 1 66 GLY CA 1 66 GLY C 54.00 134.00 111.81 92.25 134.15 0.15 19 0 "[ . 1 . 2]"
84 . 1 66 GLY N 1 66 GLY CA 1 66 GLY C 1 67 GLY N -49.00 31.00 -9.83 -28.14 16.86 . . 0 "[ . 1 . 2]"
85 . 1 67 GLY C 1 68 TYR N 1 68 TYR CA 1 68 TYR C -148.00 -68.00 -126.72 -125.51 -129.29 3.90 16 0 "[ . 1 . 2]"
86 . 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 LEU N 108.00 -172.00 133.78 107.78 -171.44 0.56 16 0 "[ . 1 . 2]"
87 . 1 69 LEU C 1 70 PHE N 1 70 PHE CA 1 70 PHE C 176.49 -103.51 -141.83 -170.28 -108.90 . . 0 "[ . 1 . 2]"
88 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 ARG N 123.50 -156.50 156.99 144.47 -179.30 . . 0 "[ . 1 . 2]"
89 . 1 70 PHE C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -150.80 -70.80 -138.52 -151.81 -121.90 1.01 16 0 "[ . 1 . 2]"
90 . 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 SER N 95.67 175.67 130.70 126.37 123.76 . . 0 "[ . 1 . 2]"
91 . 1 71 ARG C 1 72 SER N 1 72 SER CA 1 72 SER C -126.44 -46.44 -102.98 -121.31 -91.81 . . 0 "[ . 1 . 2]"
92 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 GLN N 137.45 -142.55 175.24 173.94 170.78 . . 0 "[ . 1 . 2]"
93 . 1 72 SER C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -105.97 -25.97 -67.47 -56.83 -59.58 . . 0 "[ . 1 . 2]"
94 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 TYR N -58.34 21.66 -19.50 -46.91 19.11 . . 0 "[ . 1 . 2]"
95 . 1 73 GLN C 1 74 TYR N 1 74 TYR CA 1 74 TYR C -136.14 -56.14 -85.09 -79.33 -81.08 . . 0 "[ . 1 . 2]"
96 . 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 GLY N -36.67 43.33 -4.07 -0.80 -4.37 . . 0 "[ . 1 . 2]"
97 . 1 74 TYR C 1 75 GLY N 1 75 GLY CA 1 75 GLY C 46.58 126.58 88.61 69.97 108.96 . . 0 "[ . 1 . 2]"
98 . 1 75 GLY N 1 75 GLY CA 1 75 GLY C 1 76 GLU N -33.51 46.49 15.14 17.62 14.31 . . 0 "[ . 1 . 2]"
99 . 1 75 GLY C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -117.94 -37.94 -85.24 -78.21 -84.10 . . 0 "[ . 1 . 2]"
100 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 LEU N 97.44 177.44 118.91 101.03 140.33 . . 0 "[ . 1 . 2]"
101 . 1 76 GLU C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -130.43 -50.43 -123.66 -109.74 -125.63 1.51 6 0 "[ . 1 . 2]"
102 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 LEU N 84.24 164.24 129.73 130.18 128.71 3.27 6 0 "[ . 1 . 2]"
103 . 1 78 LEU C 1 79 TYR N 1 79 TYR CA 1 79 TYR C -173.84 -93.84 -113.35 -132.27 -91.59 2.25 6 0 "[ . 1 . 2]"
104 . 1 79 TYR N 1 79 TYR CA 1 79 TYR C 1 80 MET N 102.30 -177.70 145.96 145.57 144.17 . . 0 "[ . 1 . 2]"
105 . 1 79 TYR C 1 80 MET N 1 80 MET CA 1 80 MET C 175.98 -104.02 -155.69 -179.58 -103.76 0.26 10 0 "[ . 1 . 2]"
106 . 1 80 MET N 1 80 MET CA 1 80 MET C 1 81 SER N 107.61 -172.39 156.73 118.04 -175.76 . . 0 "[ . 1 . 2]"
107 . 1 80 MET C 1 81 SER N 1 81 SER CA 1 81 SER C -136.73 -26.73 -80.26 -78.80 -81.04 . . 0 "[ . 1 . 2]"
108 . 1 81 SER C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -108.17 -8.17 -62.08 -77.94 -51.12 . . 0 "[ . 1 . 2]"
109 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 THR N -79.23 0.77 -29.86 -31.87 -32.43 . . 0 "[ . 1 . 2]"
110 . 1 82 LYS C 1 83 THR N 1 83 THR CA 1 83 THR C -102.00 -22.00 -56.81 -65.67 -44.76 . . 0 "[ . 1 . 2]"
111 . 1 83 THR N 1 83 THR CA 1 83 THR C 1 84 ALA N -81.00 -1.00 -47.74 -64.82 -18.30 . . 0 "[ . 1 . 2]"
112 . 1 83 THR C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -106.99 -26.99 -73.42 -82.16 -62.53 . . 0 "[ . 1 . 2]"
113 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 PHE N -80.04 -0.04 -41.71 -38.77 -39.66 . . 0 "[ . 1 . 2]"
114 . 1 84 ALA C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -104.12 -24.12 -59.72 -80.80 -37.75 . . 0 "[ . 1 . 2]"
115 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 GLU N -84.62 -4.62 -45.63 -49.59 -52.31 . . 0 "[ . 1 . 2]"
116 . 1 85 PHE C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -106.10 -26.10 -64.69 -74.42 -56.02 . . 0 "[ . 1 . 2]"
117 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 ALA N -72.85 17.15 -36.11 -32.56 -34.83 . . 0 "[ . 1 . 2]"
118 . 1 86 GLU C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -119.61 -39.61 -81.39 -74.61 -77.76 . . 0 "[ . 1 . 2]"
119 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 ASN N -62.01 17.99 -27.66 -62.26 2.14 0.25 20 0 "[ . 1 . 2]"
120 . 1 87 ALA C 1 88 ASN N 1 88 ASN CA 1 88 ASN C -149.99 -69.99 -96.03 -107.32 -113.74 1.14 11 0 "[ . 1 . 2]"
121 . 1 88 ASN N 1 88 ASN CA 1 88 ASN C 1 89 TYR N -62.54 17.46 -28.72 -39.30 -13.89 . . 0 "[ . 1 . 2]"
122 . 1 89 TYR C 1 90 THR N 1 90 THR CA 1 90 THR C -168.81 -88.81 -128.09 -169.03 -83.89 4.92 6 0 "[ . 1 . 2]"
123 . 1 102 ALA C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -106.97 -26.97 -81.28 -79.48 -83.02 1.15 3 0 "[ . 1 . 2]"
124 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 LYS N -71.46 8.54 -20.67 -69.09 10.99 2.45 12 0 "[ . 1 . 2]"
125 . 1 103 ASP C 1 104 LYS N 1 104 LYS CA 1 104 LYS C -109.32 -29.32 -85.19 -113.28 -66.26 3.96 8 0 "[ . 1 . 2]"
126 . 1 104 LYS N 1 104 LYS CA 1 104 LYS C 1 105 LEU N -68.46 11.54 -19.19 -69.45 13.40 1.86 13 0 "[ . 1 . 2]"
127 . 1 4 MET N 1 4 MET CA 1 4 MET CB 1 4 MET CG -105.60 -25.60 -65.15 -64.60 -66.21 . . 0 "[ . 1 . 2]"
128 . 1 8 ASN N 1 8 ASN CA 1 8 ASN CB 1 8 ASN CG -106.60 -26.60 -65.78 -82.01 -50.81 . . 0 "[ . 1 . 2]"
129 . 1 15 LEU N 1 15 LEU CA 1 15 LEU CB 1 15 LEU CG -104.10 -24.10 -71.19 -104.24 -45.99 0.14 13 0 "[ . 1 . 2]"
130 . 1 16 TYR N 1 16 TYR CA 1 16 TYR CB 1 16 TYR CG -102.90 -22.90 -56.90 -71.55 -36.28 . . 0 "[ . 1 . 2]"
131 . 1 18 ASP N 1 18 ASP CA 1 18 ASP CB 1 18 ASP CG 27.70 107.70 95.38 47.29 110.69 2.99 16 0 "[ . 1 . 2]"
132 . 1 20 ASP N 1 20 ASP CA 1 20 ASP CB 1 20 ASP CG 24.40 104.40 70.83 58.45 81.35 . . 0 "[ . 1 . 2]"
133 . 1 22 VAL N 1 22 VAL CA 1 22 VAL CB 1 22 VAL CG1 141.10 -138.90 171.88 167.00 -171.34 . . 0 "[ . 1 . 2]"
134 . 1 27 LEU N 1 27 LEU CA 1 27 LEU CB 1 27 LEU CG -107.20 -27.20 -57.56 -61.23 -61.93 0.68 6 0 "[ . 1 . 2]"
135 . 1 32 ILE N 1 32 ILE CA 1 32 ILE CB 1 32 ILE CG1 -103.30 -23.30 -66.70 -75.26 -59.37 . . 0 "[ . 1 . 2]"
136 . 1 34 TYR N 1 34 TYR CA 1 34 TYR CB 1 34 TYR CG -120.30 -10.30 -64.14 -64.00 -66.37 . . 0 "[ . 1 . 2]"
137 . 1 37 ASP N 1 37 ASP CA 1 37 ASP CB 1 37 ASP CG 26.20 106.20 68.99 69.42 68.53 . . 0 "[ . 1 . 2]"
138 . 1 44 PHE N 1 44 PHE CA 1 44 PHE CB 1 44 PHE CG -121.90 -1.90 -70.70 -110.95 -53.32 . . 0 "[ . 1 . 2]"
139 . 1 48 TYR N 1 48 TYR CA 1 48 TYR CB 1 48 TYR CG -107.50 -27.50 -69.22 -69.16 -69.59 . . 0 "[ . 1 . 2]"
140 . 1 54 SER N 1 54 SER CA 1 54 SER CB 1 54 SER OG 17.50 117.50 26.27 22.06 17.43 1.46 16 0 "[ . 1 . 2]"
141 . 1 57 THR N 1 57 THR CA 1 57 THR CB 1 57 THR OG1 -101.20 -21.20 -50.77 -59.23 -44.69 . . 0 "[ . 1 . 2]"
142 . 1 58 VAL N 1 58 VAL CA 1 58 VAL CB 1 58 VAL CG1 132.80 -147.20 171.10 170.87 170.31 . . 0 "[ . 1 . 2]"
143 . 1 60 VAL N 1 60 VAL CA 1 60 VAL CB 1 60 VAL CG1 136.40 -143.60 -158.51 -155.58 -156.22 . . 0 "[ . 1 . 2]"
144 . 1 61 PHE N 1 61 PHE CA 1 61 PHE CB 1 61 PHE CG -108.70 -28.70 -70.60 -78.83 -57.44 . . 0 "[ . 1 . 2]"
145 . 1 64 GLU N 1 64 GLU CA 1 64 GLU CB 1 64 GLU CG -103.40 -23.40 -67.26 -83.19 -44.26 . . 0 "[ . 1 . 2]"
146 . 1 68 TYR N 1 68 TYR CA 1 68 TYR CB 1 68 TYR CG -115.70 -15.70 -68.41 -63.12 -67.81 1.40 16 0 "[ . 1 . 2]"
147 . 1 70 PHE N 1 70 PHE CA 1 70 PHE CB 1 70 PHE CG 25.40 105.40 62.51 48.69 80.75 . . 0 "[ . 1 . 2]"
148 . 1 72 SER N 1 72 SER CA 1 72 SER CB 1 72 SER OG 25.70 105.70 56.90 61.41 58.56 . . 0 "[ . 1 . 2]"
149 . 1 73 GLN N 1 73 GLN CA 1 73 GLN CB 1 73 GLN CG -107.80 -27.80 -59.75 -54.44 -54.88 . . 0 "[ . 1 . 2]"
150 . 1 74 TYR N 1 74 TYR CA 1 74 TYR CB 1 74 TYR CG -99.20 -19.20 -54.40 -50.39 -55.68 . . 0 "[ . 1 . 2]"
151 . 1 78 LEU N 1 78 LEU CA 1 78 LEU CB 1 78 LEU CG -108.30 -8.30 -70.39 -97.87 -60.93 . . 0 "[ . 1 . 2]"
152 . 1 81 SER N 1 81 SER CA 1 81 SER CB 1 81 SER OG 25.90 105.90 46.12 31.55 52.60 . . 0 "[ . 1 . 2]"
153 . 1 83 THR N 1 83 THR CA 1 83 THR CB 1 83 THR OG1 13.90 93.90 43.37 44.74 43.72 . . 0 "[ . 1 . 2]"
154 . 1 85 PHE N 1 85 PHE CA 1 85 PHE CB 1 85 PHE CG 141.50 -138.50 -170.74 141.44 -137.02 1.48 17 0 "[ . 1 . 2]"
155 . 1 88 ASN N 1 88 ASN CA 1 88 ASN CB 1 88 ASN CG -104.80 -24.80 -74.45 -105.07 -60.38 0.27 11 0 "[ . 1 . 2]"
156 . 1 90 THR N 1 90 THR CA 1 90 THR CB 1 90 THR OG1 10.50 110.50 62.33 42.54 76.09 . . 0 "[ . 1 . 2]"
157 . 1 96 VAL N 1 96 VAL CA 1 96 VAL CB 1 96 VAL CG1 138.50 -141.50 -178.32 166.70 -165.48 . . 0 "[ . 1 . 2]"
158 . 1 100 GLU N 1 100 GLU CA 1 100 GLU CB 1 100 GLU CG -107.50 -27.50 -62.32 -74.92 -27.30 0.20 10 0 "[ . 1 . 2]"
159 . 1 105 LEU N 1 105 LEU CA 1 105 LEU CB 1 105 LEU CG -109.70 -29.70 -65.32 -94.43 -50.36 . . 0 "[ . 1 . 2]"
160 . 1 109 ARG N 1 109 ARG CA 1 109 ARG CB 1 109 ARG CG -103.00 -23.00 -65.04 -86.39 -49.24 . . 0 "[ . 1 . 2]"
161 . 1 110 THR N 1 110 THR CA 1 110 THR CB 1 110 THR OG1 18.70 98.70 44.78 40.96 40.24 . . 0 "[ . 1 . 2]"
162 . 1 111 ILE N 1 111 ILE CA 1 111 ILE CB 1 111 ILE CG1 -99.70 -19.70 -54.90 -67.63 -36.61 . . 0 "[ . 1 . 2]"
163 . 1 112 THR N 1 112 THR CA 1 112 THR CB 1 112 THR OG1 19.10 99.10 48.87 54.99 53.16 . . 0 "[ . 1 . 2]"
164 . 1 113 LEU N 1 113 LEU CA 1 113 LEU CB 1 113 LEU CG -102.00 -22.00 -72.92 -71.03 -79.69 1.61 4 0 "[ . 1 . 2]"
165 . 1 114 THR N 1 114 THR CA 1 114 THR CB 1 114 THR OG1 20.00 100.00 44.13 19.38 55.54 0.62 7 0 "[ . 1 . 2]"
166 . 1 117 VAL N 1 117 VAL CA 1 117 VAL CB 1 117 VAL CG1 137.30 -142.70 -176.22 -172.83 -174.72 . . 0 "[ . 1 . 2]"
167 . 1 118 THR N 1 118 THR CA 1 118 THR CB 1 118 THR OG1 17.20 97.20 45.50 27.50 57.55 . . 0 "[ . 1 . 2]"
168 . 1 123 PHE N 1 123 PHE CA 1 123 PHE CB 1 123 PHE CG -107.70 -27.70 -64.54 -73.92 -53.22 . . 0 "[ . 1 . 2]"
169 . 1 129 VAL N 1 129 VAL CA 1 129 VAL CB 1 129 VAL CG1 141.00 -139.00 -176.26 173.59 -166.01 . . 0 "[ . 1 . 2]"
170 . 1 130 THR N 1 130 THR CA 1 130 THR CB 1 130 THR OG1 18.50 98.50 44.02 27.63 58.85 . . 0 "[ . 1 . 2]"
171 . 1 131 ILE N 1 131 ILE CA 1 131 ILE CB 1 131 ILE CG1 -100.90 -20.90 -52.32 -56.31 -59.02 . . 0 "[ . 1 . 2]"
172 . 1 133 THR N 1 133 THR CA 1 133 THR CB 1 133 THR OG1 15.90 95.90 47.85 54.12 53.53 . . 0 "[ . 1 . 2]"
173 . 1 134 THR N 1 134 THR CA 1 134 THR CB 1 134 THR OG1 15.00 95.00 48.30 37.75 66.89 . . 0 "[ . 1 . 2]"
174 . 1 61 PHE C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -150.00 -30.00 -56.84 -58.19 -59.53 . . 0 "[ . 1 . 2]"
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