NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549598 |
2luz   |
18547 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2luz
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 222
_TA_constraint_stats_list.Viol_count 498
_TA_constraint_stats_list.Viol_total 23989.76
_TA_constraint_stats_list.Viol_max 15.16
_TA_constraint_stats_list.Viol_rms 1.00
_TA_constraint_stats_list.Viol_average_all_restraints 0.27
_TA_constraint_stats_list.Viol_average_violations_only 2.41
_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 16 ALA C 1 17 THR N 1 17 THR CA 1 17 THR C -128.00 -80.00 -97.57 -83.87 -85.81 2.31 11 0 "[ . 1 . 2]"
2 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 GLU N 100.80 152.80 118.74 98.28 142.07 2.52 18 0 "[ . 1 . 2]"
3 . 1 17 THR C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -165.40 -76.80 -108.32 -114.87 -118.94 . . 0 "[ . 1 . 2]"
4 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ARG N 113.30 173.30 121.89 107.81 103.60 9.70 1 2 "[+ . - 1 . 2]"
5 . 1 18 GLU C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -152.90 -69.90 -89.52 -76.22 -81.66 2.61 19 0 "[ . 1 . 2]"
6 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 ALA N 107.90 166.50 146.50 133.31 132.48 . . 0 "[ . 1 . 2]"
7 . 1 19 ARG C 1 20 ALA N 1 20 ALA CA 1 20 ALA C 178.10 -85.90 -158.73 -169.25 -143.92 . . 0 "[ . 1 . 2]"
8 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 LEU N 129.50 -179.90 172.22 122.56 -173.22 6.94 6 3 "[ .+- 1 *. 2]"
9 . 1 20 ALA C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -137.40 -88.20 -138.16 -148.50 -85.56 11.10 15 12 "[ **** ** * + **-*]"
10 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 GLY N 109.90 164.90 153.96 121.97 168.66 3.76 7 0 "[ . 1 . 2]"
11 . 1 21 LEU C 1 22 GLY N 1 22 GLY CA 1 22 GLY C 154.00 -66.00 -154.86 -173.28 176.56 . . 0 "[ . 1 . 2]"
12 . 1 22 GLY N 1 22 GLY CA 1 22 GLY C 1 23 ARG N 100.70 -148.30 -169.64 -154.82 -158.32 1.64 2 0 "[ . 1 . 2]"
13 . 1 22 GLY C 1 23 ARG N 1 23 ARG CA 1 23 ARG C -166.10 -95.50 -130.52 -159.45 -91.70 3.80 8 0 "[ . 1 . 2]"
14 . 1 23 ARG N 1 23 ARG CA 1 23 ARG C 1 24 ARG N 113.40 168.40 148.73 151.68 148.53 2.41 15 0 "[ . 1 . 2]"
15 . 1 23 ARG C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -168.10 -109.10 -153.90 -156.95 -161.28 0.83 12 0 "[ . 1 . 2]"
16 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 THR N 119.00 159.00 133.42 128.09 126.66 4.17 18 0 "[ . 1 . 2]"
17 . 1 24 ARG C 1 25 THR N 1 25 THR CA 1 25 THR C -136.50 -53.30 -90.49 -138.27 -72.98 1.77 6 0 "[ . 1 . 2]"
18 . 1 25 THR N 1 25 THR CA 1 25 THR C 1 26 ILE N 93.10 156.90 123.71 94.20 152.66 . . 0 "[ . 1 . 2]"
19 . 1 25 THR C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -142.90 -43.70 -115.97 -129.62 -133.07 1.20 9 0 "[ . 1 . 2]"
20 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 PRO N 101.90 -168.50 162.22 152.45 168.76 . . 0 "[ . 1 . 2]"
21 . 1 27 PRO C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -111.40 -54.80 -76.13 -69.46 -70.71 . . 0 "[ . 1 . 2]"
22 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 GLY N -60.20 36.60 -27.90 -56.59 9.02 . . 0 "[ . 1 . 2]"
23 . 1 29 GLY C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -123.60 -38.80 -74.92 -94.81 -63.66 . . 0 "[ . 1 . 2]"
24 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 ALA N 96.20 163.60 115.08 105.09 100.73 4.60 10 0 "[ . 1 . 2]"
25 . 1 30 GLU C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -145.70 -70.10 -110.07 -138.83 -76.82 . . 0 "[ . 1 . 2]"
26 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ARG N 124.30 164.30 159.74 142.40 168.17 3.87 17 0 "[ . 1 . 2]"
27 . 1 31 ALA C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -160.50 -72.50 -103.08 -125.15 -83.95 . . 0 "[ . 1 . 2]"
28 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 SER N 128.30 168.30 162.03 154.41 149.12 3.48 4 0 "[ . 1 . 2]"
29 . 1 33 SER C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -171.80 -87.40 -88.74 -86.92 -87.32 3.54 6 0 "[ . 1 . 2]"
30 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 ILE N 136.40 176.40 138.97 131.00 150.73 5.40 3 1 "[ + . 1 . 2]"
31 . 1 34 ILE C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -147.30 -85.50 -121.96 -124.98 -126.86 . . 0 "[ . 1 . 2]"
32 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 ILE N 107.00 149.40 114.72 105.25 126.24 1.75 6 0 "[ . 1 . 2]"
33 . 1 35 ILE C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -146.40 -102.00 -106.87 -104.76 -105.65 2.24 20 0 "[ . 1 . 2]"
34 . 1 36 ILE N 1 36 ILE CA 1 36 ILE C 1 37 ARG N 110.90 158.50 107.71 103.90 111.03 7.00 18 2 "[ - . 1 . + 2]"
35 . 1 36 ILE C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -150.60 -90.40 -97.80 -101.53 -105.21 0.66 4 0 "[ . 1 . 2]"
36 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 GLN N 106.00 158.40 140.92 132.77 101.78 7.22 1 1 "[+ . 1 . 2]"
37 . 1 37 ARG C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -167.40 -111.00 -149.80 -168.92 -108.00 3.00 19 0 "[ . 1 . 2]"
38 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 ARG N 122.80 177.00 133.97 116.60 152.97 6.20 5 1 "[ + 1 . 2]"
39 . 1 38 GLN C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -154.40 -91.80 -98.33 -116.55 -87.26 4.54 8 0 "[ . 1 . 2]"
40 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 TYR N 107.30 160.10 109.45 101.96 128.96 5.34 9 1 "[ . +1 . 2]"
41 . 1 39 ARG C 1 40 TYR N 1 40 TYR CA 1 40 TYR C 168.10 -51.90 -90.13 -96.95 -116.19 . . 0 "[ . 1 . 2]"
42 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 ASP N 86.00 160.40 136.96 116.86 150.70 . . 0 "[ . 1 . 2]"
43 . 1 43 PRO C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -76.30 -28.70 -60.54 -47.78 -48.99 0.35 7 0 "[ . 1 . 2]"
44 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 ASP N -66.70 -21.10 -43.88 -45.09 -46.38 . . 0 "[ . 1 . 2]"
45 . 1 44 VAL C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -81.70 -41.70 -54.90 -63.87 -43.44 . . 0 "[ . 1 . 2]"
46 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 GLU N -60.50 -20.50 -42.84 -52.05 -34.03 . . 0 "[ . 1 . 2]"
47 . 1 45 ASP C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -87.20 -47.20 -69.60 -86.66 -59.96 . . 0 "[ . 1 . 2]"
48 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 VAL N -62.30 -22.30 -49.86 -36.57 -46.46 3.56 6 0 "[ . 1 . 2]"
49 . 1 46 GLU C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -85.80 -45.80 -62.00 -75.30 -76.86 . . 0 "[ . 1 . 2]"
50 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 TRP N -63.30 -23.30 -36.03 -49.48 -30.05 . . 0 "[ . 1 . 2]"
51 . 1 47 VAL C 1 48 TRP N 1 48 TRP CA 1 48 TRP C -85.40 -45.40 -66.52 -81.51 -58.46 . . 0 "[ . 1 . 2]"
52 . 1 48 TRP N 1 48 TRP CA 1 48 TRP C 1 49 SER N -60.50 -20.50 -43.50 -28.24 -30.26 . . 0 "[ . 1 . 2]"
53 . 1 48 TRP C 1 49 SER N 1 49 SER CA 1 49 SER C -83.90 -43.90 -62.74 -75.09 -52.83 . . 0 "[ . 1 . 2]"
54 . 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 ALA N -61.40 -21.40 -42.94 -55.41 -25.79 . . 0 "[ . 1 . 2]"
55 . 1 49 SER C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -90.10 -50.10 -61.83 -61.48 -62.57 . . 0 "[ . 1 . 2]"
56 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 CYS N -60.80 -20.80 -37.59 -47.91 -28.41 . . 0 "[ . 1 . 2]"
57 . 1 54 PRO C 1 55 ASN N 1 55 ASN CA 1 55 ASN C -89.90 -45.90 -65.46 -61.82 -63.37 . . 0 "[ . 1 . 2]"
58 . 1 55 ASN N 1 55 ASN CA 1 55 ASN C 1 56 ARG N -51.10 7.30 -33.27 -53.51 -6.42 2.41 12 0 "[ . 1 . 2]"
59 . 1 55 ASN C 1 56 ARG N 1 56 ARG CA 1 56 ARG C -97.50 -28.70 -84.67 -90.00 -91.95 11.05 6 1 "[ .+ 1 . 2]"
60 . 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 ILE N -61.80 -21.80 -30.85 -42.62 -20.06 1.74 4 0 "[ . 1 . 2]"
61 . 1 56 ARG C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -87.60 -47.60 -72.54 -73.91 -74.31 . . 0 "[ . 1 . 2]"
62 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 ASN N -63.40 -23.40 -38.72 -36.82 -38.07 . . 0 "[ . 1 . 2]"
63 . 1 57 ILE C 1 58 ASN N 1 58 ASN CA 1 58 ASN C -88.50 -42.90 -64.48 -73.87 -57.19 . . 0 "[ . 1 . 2]"
64 . 1 58 ASN N 1 58 ASN CA 1 58 ASN C 1 59 ARG N -48.70 6.50 -13.11 -4.29 -11.68 . . 0 "[ . 1 . 2]"
65 . 1 61 PHE C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -164.00 -89.40 -98.49 -149.42 -83.48 5.92 7 1 "[ . + 1 . 2]"
66 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 GLU N 113.70 171.30 139.37 142.73 140.86 0.04 3 0 "[ . 1 . 2]"
67 . 1 62 ILE C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -152.10 -43.50 -65.95 -65.96 -67.34 . . 0 "[ . 1 . 2]"
68 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 PRO N 67.50 165.10 120.78 108.06 105.02 . . 0 "[ . 1 . 2]"
69 . 1 71 GLY C 1 72 GLY N 1 72 GLY CA 1 72 GLY C -171.40 -68.00 -98.12 -132.24 -76.76 . . 0 "[ . 1 . 2]"
70 . 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 ASN N 70.60 -149.40 -166.01 170.40 -146.56 2.84 3 0 "[ . 1 . 2]"
71 . 1 72 GLY C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -166.30 -97.70 -133.26 -156.00 -109.05 . . 0 "[ . 1 . 2]"
72 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 PHE N 125.20 177.00 164.52 177.29 174.39 1.00 2 0 "[ . 1 . 2]"
73 . 1 73 ASN C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -173.50 -106.70 -126.98 -150.85 -101.32 5.38 12 1 "[ . 1 + . 2]"
74 . 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 ALA N 131.90 171.90 160.02 161.77 158.80 0.56 20 0 "[ . 1 . 2]"
75 . 1 74 PHE C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -162.20 -84.20 -154.35 -142.15 -144.77 4.86 10 0 "[ . 1 . 2]"
76 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 LEU N 96.50 152.50 122.60 135.39 122.13 . . 0 "[ . 1 . 2]"
77 . 1 83 ASP C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -106.10 -50.30 -98.98 -110.23 -110.30 4.20 1 0 "[ . 1 . 2]"
78 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 LEU N 93.60 147.60 105.57 119.53 117.46 1.94 7 0 "[ . 1 . 2]"
79 . 1 84 ILE C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -106.00 -63.60 -73.96 -84.63 -62.75 0.85 6 0 "[ . 1 . 2]"
80 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 ARG N -57.20 -17.20 -48.30 -38.40 -39.90 2.68 10 0 "[ . 1 . 2]"
81 . 1 85 LEU C 1 86 ARG N 1 86 ARG CA 1 86 ARG C 176.40 -99.60 -156.53 -175.77 -135.18 . . 0 "[ . 1 . 2]"
82 . 1 86 ARG N 1 86 ARG CA 1 86 ARG C 1 87 CYS N 114.50 154.50 138.38 111.54 155.29 2.96 2 0 "[ . 1 . 2]"
83 . 1 86 ARG C 1 87 CYS N 1 87 CYS CA 1 87 CYS C -159.90 -85.30 -137.05 -135.66 -141.54 0.47 13 0 "[ . 1 . 2]"
84 . 1 87 CYS N 1 87 CYS CA 1 87 CYS C 1 88 GLU N 104.90 152.10 120.11 103.10 138.25 1.80 2 0 "[ . 1 . 2]"
85 . 1 87 CYS C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -143.70 -97.70 -121.70 -108.89 -116.57 1.08 9 0 "[ . 1 . 2]"
86 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 PRO N 68.00 142.00 96.20 102.17 100.48 . . 0 "[ . 1 . 2]"
87 . 1 91 ARG C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -163.60 -108.00 -151.26 -163.11 -128.10 . . 0 "[ . 1 . 2]"
88 . 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 LEU N 99.60 157.40 154.98 154.11 148.96 5.49 18 1 "[ . 1 . + 2]"
89 . 1 92 ARG C 1 93 LEU N 1 93 LEU CA 1 93 LEU C -143.00 -98.40 -127.59 -107.04 -107.72 0.09 3 0 "[ . 1 . 2]"
90 . 1 93 LEU N 1 93 LEU CA 1 93 LEU C 1 94 THR N 104.00 144.00 131.91 145.44 144.04 2.61 2 0 "[ . 1 . 2]"
91 . 1 93 LEU C 1 94 THR N 1 94 THR CA 1 94 THR C -141.70 -67.30 -123.03 -131.53 -134.79 0.31 5 0 "[ . 1 . 2]"
92 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 ILE N 114.50 155.10 123.74 110.17 137.39 4.33 18 0 "[ . 1 . 2]"
93 . 1 94 THR C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -159.40 -94.60 -129.89 -147.78 -105.96 . . 0 "[ . 1 . 2]"
94 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 SER N 113.10 -177.30 153.93 141.88 173.77 . . 0 "[ . 1 . 2]"
95 . 1 95 ILE C 1 96 SER N 1 96 SER CA 1 96 SER C 172.60 -89.40 -92.42 -91.27 -96.14 8.21 6 4 "[ .+* 1- *. 2]"
96 . 1 96 SER N 1 96 SER CA 1 96 SER C 1 97 TRP N 134.70 -168.50 153.09 132.89 -175.24 1.81 17 0 "[ . 1 . 2]"
97 . 1 96 SER C 1 97 TRP N 1 97 TRP CA 1 97 TRP C 167.00 -65.80 -139.49 -123.70 -125.64 . . 0 "[ . 1 . 2]"
98 . 1 97 TRP N 1 97 TRP CA 1 97 TRP C 1 98 VAL N 95.30 162.10 102.73 92.85 117.82 2.45 12 0 "[ . 1 . 2]"
99 . 1 97 TRP C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -146.10 -74.90 -102.24 -99.18 -102.02 . . 0 "[ . 1 . 2]"
100 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 TYR N 104.70 144.70 106.84 101.48 144.29 3.22 2 0 "[ . 1 . 2]"
101 . 1 101 GLY C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -146.00 -53.60 -113.90 -138.70 -80.55 . . 0 "[ . 1 . 2]"
102 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 PRO N 65.20 -171.40 145.81 75.17 163.96 . . 0 "[ . 1 . 2]"
103 . 1 105 SER C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -169.60 -94.60 -120.38 -107.51 -112.06 0.60 5 0 "[ . 1 . 2]"
104 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 VAL N 110.20 151.40 115.34 123.81 119.98 7.12 4 1 "[ +. 1 . 2]"
105 . 1 106 GLU C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -144.40 -95.20 -107.63 -138.14 -93.95 1.25 7 0 "[ . 1 . 2]"
106 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 GLU N 106.90 146.90 138.49 118.37 149.00 2.10 1 0 "[ . 1 . 2]"
107 . 1 107 VAL C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -148.60 -93.00 -134.97 -139.80 -143.09 2.24 20 0 "[ . 1 . 2]"
108 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 LEU N 115.70 155.70 136.68 111.87 157.66 3.83 2 0 "[ . 1 . 2]"
109 . 1 108 GLU C 1 109 LEU N 1 109 LEU CA 1 109 LEU C -145.90 -92.30 -117.43 -101.48 -105.31 2.52 17 0 "[ . 1 . 2]"
110 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C 1 110 ARG N 114.40 154.40 126.79 108.56 152.52 5.84 19 1 "[ . 1 . +2]"
111 . 1 109 LEU C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -158.20 -96.20 -128.72 -132.42 -135.25 . . 0 "[ . 1 . 2]"
112 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 LEU N 105.20 175.00 124.33 105.22 145.76 . . 0 "[ . 1 . 2]"
113 . 1 110 ARG C 1 111 LEU N 1 111 LEU CA 1 111 LEU C -160.90 -90.70 -116.32 -123.31 -127.70 1.92 14 0 "[ . 1 . 2]"
114 . 1 111 LEU N 1 111 LEU CA 1 111 LEU C 1 112 SER N 117.00 171.40 136.52 147.06 142.80 . . 0 "[ . 1 . 2]"
115 . 1 111 LEU C 1 112 SER N 1 112 SER CA 1 112 SER C -179.00 -90.00 -142.59 -160.64 -125.25 . . 0 "[ . 1 . 2]"
116 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 GLU N 109.80 -174.60 140.06 115.24 174.16 . . 0 "[ . 1 . 2]"
117 . 1 112 SER C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -136.60 -52.40 -77.00 -113.88 -58.47 . . 0 "[ . 1 . 2]"
118 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 GLU N 92.40 177.40 132.10 96.14 152.74 . . 0 "[ . 1 . 2]"
119 . 1 113 GLU C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -172.40 -79.00 -143.35 -155.97 -164.52 . . 0 "[ . 1 . 2]"
120 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 GLY N 83.50 167.90 106.46 80.26 79.36 5.27 4 1 "[ +. 1 . 2]"
121 . 1 114 GLU C 1 115 GLY N 1 115 GLY CA 1 115 GLY C 51.20 91.20 67.07 75.78 73.31 . . 0 "[ . 1 . 2]"
122 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 ASP N -144.30 -104.30 -113.86 -111.84 -117.38 15.16 17 2 "[ . - 1 . + 2]"
123 . 1 116 ASP C 1 117 GLY N 1 117 GLY CA 1 117 GLY C -178.40 -38.40 -136.15 -130.13 -161.70 1.24 8 0 "[ . 1 . 2]"
124 . 1 117 GLY N 1 117 GLY CA 1 117 GLY C 1 118 THR N 68.50 -151.50 -164.40 159.32 -146.33 5.17 5 1 "[ + 1 . 2]"
125 . 1 117 GLY C 1 118 THR N 1 118 THR CA 1 118 THR C -160.20 -92.40 -142.01 -140.16 -140.43 . . 0 "[ . 1 . 2]"
126 . 1 118 THR N 1 118 THR CA 1 118 THR C 1 119 LEU N 100.80 147.60 132.09 108.13 149.85 2.25 5 0 "[ . 1 . 2]"
127 . 1 118 THR C 1 119 LEU N 1 119 LEU CA 1 119 LEU C -125.80 -82.00 -87.55 -81.74 -82.27 1.26 2 0 "[ . 1 . 2]"
128 . 1 119 LEU N 1 119 LEU CA 1 119 LEU C 1 120 LEU N 92.50 142.70 123.03 107.75 106.87 1.83 10 0 "[ . 1 . 2]"
129 . 1 119 LEU C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -131.60 -85.20 -105.02 -127.14 -83.38 1.82 19 0 "[ . 1 . 2]"
130 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 GLU N 110.50 158.10 122.64 106.13 143.64 4.37 15 0 "[ . 1 . 2]"
131 . 1 120 LEU C 1 121 GLU N 1 121 GLU CA 1 121 GLU C -140.70 -100.70 -122.29 -140.48 -107.12 . . 0 "[ . 1 . 2]"
132 . 1 121 GLU N 1 121 GLU CA 1 121 GLU C 1 122 LEU N 110.30 150.30 106.49 109.22 108.09 5.62 17 2 "[ . 1 - . + 2]"
133 . 1 121 GLU C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -143.10 -97.30 -103.17 -107.17 -111.22 2.04 2 0 "[ . 1 . 2]"
134 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 GLU N 104.20 144.20 116.24 101.05 143.07 3.15 12 0 "[ . 1 . 2]"
135 . 1 122 LEU C 1 123 GLU N 1 123 GLU CA 1 123 GLU C -134.00 -94.00 -110.35 -112.60 -122.01 1.60 16 0 "[ . 1 . 2]"
136 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C 1 124 HIS N 105.60 145.60 121.50 100.78 143.62 4.82 3 0 "[ . 1 . 2]"
137 . 1 123 GLU C 1 124 HIS N 1 124 HIS CA 1 124 HIS C -142.80 -86.80 -115.45 -121.88 -129.84 . . 0 "[ . 1 . 2]"
138 . 1 124 HIS N 1 124 HIS CA 1 124 HIS C 1 125 ALA N 115.70 155.70 116.23 111.10 124.85 4.60 8 0 "[ . 1 . 2]"
139 . 1 124 HIS C 1 125 ALA N 1 125 ALA CA 1 125 ALA C -140.00 -100.00 -112.29 -126.42 -101.39 . . 0 "[ . 1 . 2]"
140 . 1 125 ALA N 1 125 ALA CA 1 125 ALA C 1 126 THR N 108.00 153.60 114.52 107.37 104.52 6.21 4 2 "[ +. - 1 . 2]"
141 . 1 125 ALA C 1 126 THR N 1 126 THR CA 1 126 THR C -171.10 -86.90 -138.74 -154.73 -121.52 . . 0 "[ . 1 . 2]"
142 . 1 126 THR N 1 126 THR CA 1 126 THR C 1 127 THR N 125.80 -169.60 157.45 150.67 164.50 . . 0 "[ . 1 . 2]"
143 . 1 127 THR C 1 128 SER N 1 128 SER CA 1 128 SER C -162.50 -37.90 -95.04 -132.37 -76.62 . . 0 "[ . 1 . 2]"
144 . 1 128 SER N 1 128 SER CA 1 128 SER C 1 129 GLU N 60.10 147.50 120.17 115.89 113.73 . . 0 "[ . 1 . 2]"
145 . 1 128 SER C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -74.20 -34.20 -64.53 -73.42 -57.83 . . 0 "[ . 1 . 2]"
146 . 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 GLN N -71.90 -7.50 -35.61 -25.58 -28.28 . . 0 "[ . 1 . 2]"
147 . 1 129 GLU C 1 130 GLN N 1 130 GLN CA 1 130 GLN C -88.40 -44.20 -62.66 -69.50 -58.73 . . 0 "[ . 1 . 2]"
148 . 1 130 GLN N 1 130 GLN CA 1 130 GLN C 1 131 MET N -58.20 -1.80 -52.92 -47.76 -47.89 0.70 10 0 "[ . 1 . 2]"
149 . 1 130 GLN C 1 131 MET N 1 131 MET CA 1 131 MET C -84.40 -44.40 -56.36 -67.58 -68.48 0.26 16 0 "[ . 1 . 2]"
150 . 1 131 MET N 1 131 MET CA 1 131 MET C 1 132 LEU N -53.40 -13.40 -35.95 -34.25 -35.91 . . 0 "[ . 1 . 2]"
151 . 1 131 MET C 1 132 LEU N 1 132 LEU CA 1 132 LEU C -83.50 -43.50 -62.41 -67.24 -52.93 . . 0 "[ . 1 . 2]"
152 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C 1 133 VAL N -67.20 -10.80 -46.10 -53.76 -38.18 . . 0 "[ . 1 . 2]"
153 . 1 132 LEU C 1 133 VAL N 1 133 VAL CA 1 133 VAL C -84.50 -38.10 -64.94 -63.78 -64.16 . . 0 "[ . 1 . 2]"
154 . 1 133 VAL N 1 133 VAL CA 1 133 VAL C 1 134 GLU N -63.60 -23.60 -48.75 -46.93 -49.04 . . 0 "[ . 1 . 2]"
155 . 1 133 VAL C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -83.10 -43.10 -53.46 -67.65 -43.61 . . 0 "[ . 1 . 2]"
156 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 VAL N -65.50 -25.50 -49.95 -62.42 -36.42 . . 0 "[ . 1 . 2]"
157 . 1 134 GLU C 1 135 VAL N 1 135 VAL CA 1 135 VAL C -93.60 -43.40 -76.37 -83.62 -66.52 . . 0 "[ . 1 . 2]"
158 . 1 135 VAL N 1 135 VAL CA 1 135 VAL C 1 136 GLY N -55.80 -6.20 -24.98 -27.56 -29.37 . . 0 "[ . 1 . 2]"
159 . 1 135 VAL C 1 136 GLY N 1 136 GLY CA 1 136 GLY C -85.30 -45.30 -61.22 -64.72 -56.04 . . 0 "[ . 1 . 2]"
160 . 1 136 GLY N 1 136 GLY CA 1 136 GLY C 1 137 VAL N -62.20 -22.20 -36.50 -45.97 -29.05 . . 0 "[ . 1 . 2]"
161 . 1 136 GLY C 1 137 VAL N 1 137 VAL CA 1 137 VAL C -81.50 -41.50 -76.99 -81.83 -70.09 0.33 20 0 "[ . 1 . 2]"
162 . 1 137 VAL N 1 137 VAL CA 1 137 VAL C 1 138 GLY N -62.90 -22.90 -51.72 -52.66 -53.42 . . 0 "[ . 1 . 2]"
163 . 1 137 VAL C 1 138 GLY N 1 138 GLY CA 1 138 GLY C -88.70 -48.70 -58.69 -67.97 -48.77 . . 0 "[ . 1 . 2]"
164 . 1 138 GLY N 1 138 GLY CA 1 138 GLY C 1 139 TRP N -59.40 -16.40 -48.02 -63.10 -24.96 3.70 6 0 "[ . 1 . 2]"
165 . 1 138 GLY C 1 139 TRP N 1 139 TRP CA 1 139 TRP C -86.40 -46.40 -70.20 -88.05 -51.76 1.65 19 0 "[ . 1 . 2]"
166 . 1 139 TRP N 1 139 TRP CA 1 139 TRP C 1 140 GLU N -64.30 -24.30 -41.12 -44.32 -46.96 . . 0 "[ . 1 . 2]"
167 . 1 139 TRP C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -83.10 -43.10 -61.53 -62.71 -63.35 . . 0 "[ . 1 . 2]"
168 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 MET N -66.20 -23.00 -35.72 -51.92 -23.09 . . 0 "[ . 1 . 2]"
169 . 1 140 GLU C 1 141 MET N 1 141 MET CA 1 141 MET C -82.90 -42.90 -68.36 -61.48 -64.14 . . 0 "[ . 1 . 2]"
170 . 1 141 MET N 1 141 MET CA 1 141 MET C 1 142 ALA N -62.00 -22.00 -42.85 -56.03 -33.96 . . 0 "[ . 1 . 2]"
171 . 1 141 MET C 1 142 ALA N 1 142 ALA CA 1 142 ALA C -83.70 -43.70 -62.71 -61.21 -63.06 . . 0 "[ . 1 . 2]"
172 . 1 142 ALA N 1 142 ALA CA 1 142 ALA C 1 143 LEU N -64.10 -24.10 -47.92 -65.20 -22.98 1.12 14 0 "[ . 1 . 2]"
173 . 1 142 ALA C 1 143 LEU N 1 143 LEU CA 1 143 LEU C -82.30 -42.30 -70.02 -87.31 -42.31 5.01 7 1 "[ . + 1 . 2]"
174 . 1 143 LEU N 1 143 LEU CA 1 143 LEU C 1 144 ASP N -61.90 -21.90 -26.56 -38.79 -18.38 3.52 1 0 "[ . 1 . 2]"
175 . 1 143 LEU C 1 144 ASP N 1 144 ASP CA 1 144 ASP C -86.20 -46.20 -65.83 -69.65 -69.87 . . 0 "[ . 1 . 2]"
176 . 1 144 ASP N 1 144 ASP CA 1 144 ASP C 1 145 PHE N -60.20 -20.20 -46.95 -48.67 -50.15 2.14 4 0 "[ . 1 . 2]"
177 . 1 144 ASP C 1 145 PHE N 1 145 PHE CA 1 145 PHE C -83.50 -43.50 -69.64 -81.54 -62.64 . . 0 "[ . 1 . 2]"
178 . 1 145 PHE N 1 145 PHE CA 1 145 PHE C 1 146 LEU N -58.90 -18.90 -30.39 -46.28 -18.47 0.43 5 0 "[ . 1 . 2]"
179 . 1 145 PHE C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -83.60 -43.60 -69.59 -72.57 -75.01 . . 0 "[ . 1 . 2]"
180 . 1 146 LEU N 1 146 LEU CA 1 146 LEU C 1 147 GLY N -61.10 -21.10 -38.25 -58.01 -20.66 0.44 9 0 "[ . 1 . 2]"
181 . 1 146 LEU C 1 147 GLY N 1 147 GLY CA 1 147 GLY C -82.40 -42.40 -59.08 -76.73 -43.52 . . 0 "[ . 1 . 2]"
182 . 1 147 GLY N 1 147 GLY CA 1 147 GLY C 1 148 MET N -60.20 -20.20 -44.58 -54.80 -34.34 . . 0 "[ . 1 . 2]"
183 . 1 147 GLY C 1 148 MET N 1 148 MET CA 1 148 MET C -81.60 -41.60 -67.95 -66.70 -68.52 . . 0 "[ . 1 . 2]"
184 . 1 148 MET N 1 148 MET CA 1 148 MET C 1 149 PHE N -65.00 -24.20 -37.61 -38.89 -39.71 . . 0 "[ . 1 . 2]"
185 . 1 148 MET C 1 149 PHE N 1 149 PHE CA 1 149 PHE C -83.90 -43.90 -65.96 -57.40 -61.35 . . 0 "[ . 1 . 2]"
186 . 1 149 PHE N 1 149 PHE CA 1 149 PHE C 1 150 ILE N -61.50 -21.50 -49.36 -59.87 -33.15 . . 0 "[ . 1 . 2]"
187 . 1 149 PHE C 1 150 ILE N 1 150 ILE CA 1 150 ILE C -84.00 -44.00 -70.23 -72.46 -72.51 . . 0 "[ . 1 . 2]"
188 . 1 150 ILE N 1 150 ILE CA 1 150 ILE C 1 151 ARG N -60.30 -20.30 -42.50 -36.63 -43.52 3.16 1 0 "[ . 1 . 2]"
189 . 1 171 PRO C 1 172 GLU N 1 172 GLU CA 1 172 GLU C -83.90 -43.90 -67.55 -78.62 -59.49 . . 0 "[ . 1 . 2]"
190 . 1 172 GLU N 1 172 GLU CA 1 172 GLU C 1 173 MET N -53.70 -13.70 -47.47 -49.70 -50.94 2.50 5 0 "[ . 1 . 2]"
191 . 1 172 GLU C 1 173 MET N 1 173 MET CA 1 173 MET C -83.80 -43.80 -69.12 -70.73 -71.76 . . 0 "[ . 1 . 2]"
192 . 1 173 MET N 1 173 MET CA 1 173 MET C 1 174 MET N -61.70 -21.70 -39.82 -57.95 -24.35 . . 0 "[ . 1 . 2]"
193 . 1 173 MET C 1 174 MET N 1 174 MET CA 1 174 MET C -89.70 -49.70 -62.00 -64.13 -65.78 . . 0 "[ . 1 . 2]"
194 . 1 174 MET N 1 174 MET CA 1 174 MET C 1 175 ARG N -56.50 -16.50 -41.82 -47.01 -51.48 . . 0 "[ . 1 . 2]"
195 . 1 174 MET C 1 175 ARG N 1 175 ARG CA 1 175 ARG C -87.60 -47.60 -61.91 -69.56 -50.46 . . 0 "[ . 1 . 2]"
196 . 1 175 ARG N 1 175 ARG CA 1 175 ARG C 1 176 ILE N -60.80 -20.80 -47.83 -58.13 -38.23 . . 0 "[ . 1 . 2]"
197 . 1 175 ARG C 1 176 ILE N 1 176 ILE CA 1 176 ILE C -82.60 -42.60 -59.25 -76.14 -51.38 . . 0 "[ . 1 . 2]"
198 . 1 176 ILE N 1 176 ILE CA 1 176 ILE C 1 177 SER N -63.20 -23.20 -43.91 -30.26 -35.35 . . 0 "[ . 1 . 2]"
199 . 1 176 ILE C 1 177 SER N 1 177 SER CA 1 177 SER C -85.40 -45.40 -67.19 -77.78 -51.53 . . 0 "[ . 1 . 2]"
200 . 1 177 SER N 1 177 SER CA 1 177 SER C 1 178 GLN N -58.60 -18.60 -39.51 -40.91 -41.60 . . 0 "[ . 1 . 2]"
201 . 1 177 SER C 1 178 GLN N 1 178 GLN CA 1 178 GLN C -86.10 -46.10 -69.38 -54.63 -55.65 4.30 6 0 "[ . 1 . 2]"
202 . 1 178 GLN N 1 178 GLN CA 1 178 GLN C 1 179 GLU N -61.90 -21.90 -47.09 -60.65 -63.70 1.80 1 0 "[ . 1 . 2]"
203 . 1 178 GLN C 1 179 GLU N 1 179 GLU CA 1 179 GLU C -86.90 -46.90 -51.25 -41.44 -41.76 7.33 19 3 "[-* . 1 . +2]"
204 . 1 179 GLU N 1 179 GLU CA 1 179 GLU C 1 180 ARG N -60.10 -20.10 -48.46 -60.83 -34.50 0.73 6 0 "[ . 1 . 2]"
205 . 1 179 GLU C 1 180 ARG N 1 180 ARG CA 1 180 ARG C -84.40 -44.40 -64.17 -57.20 -58.01 . . 0 "[ . 1 . 2]"
206 . 1 180 ARG N 1 180 ARG CA 1 180 ARG C 1 181 GLY N -61.10 -21.10 -48.29 -60.79 -33.24 . . 0 "[ . 1 . 2]"
207 . 1 180 ARG C 1 181 GLY N 1 181 GLY CA 1 181 GLY C -86.50 -46.50 -63.94 -77.42 -80.95 . . 0 "[ . 1 . 2]"
208 . 1 181 GLY N 1 181 GLY CA 1 181 GLY C 1 182 GLU N -58.00 -18.00 -39.84 -58.88 -15.53 2.47 1 0 "[ . 1 . 2]"
209 . 1 181 GLY C 1 182 GLU N 1 182 GLU CA 1 182 GLU C -86.00 -46.00 -70.47 -82.91 -54.28 . . 0 "[ . 1 . 2]"
210 . 1 182 GLU N 1 182 GLU CA 1 182 GLU C 1 183 ALA N -61.50 -21.50 -34.39 -32.96 -34.98 3.18 13 0 "[ . 1 . 2]"
211 . 1 182 GLU C 1 183 ALA N 1 183 ALA CA 1 183 ALA C -85.00 -45.00 -65.84 -76.22 -51.44 . . 0 "[ . 1 . 2]"
212 . 1 183 ALA N 1 183 ALA CA 1 183 ALA C 1 184 TRP N -62.60 -22.60 -50.15 -55.11 -56.91 . . 0 "[ . 1 . 2]"
213 . 1 183 ALA C 1 184 TRP N 1 184 TRP CA 1 184 TRP C -83.30 -43.30 -71.20 -83.44 -62.73 0.14 11 0 "[ . 1 . 2]"
214 . 1 184 TRP N 1 184 TRP CA 1 184 TRP C 1 185 ALA N -63.20 -23.20 -26.16 -26.02 -27.21 3.14 6 0 "[ . 1 . 2]"
215 . 1 184 TRP C 1 185 ALA N 1 185 ALA CA 1 185 ALA C -80.70 -40.70 -67.73 -63.04 -64.75 . . 0 "[ . 1 . 2]"
216 . 1 185 ALA N 1 185 ALA CA 1 185 ALA C 1 186 ALA N -61.80 -21.80 -47.05 -61.18 -63.08 2.31 1 0 "[ . 1 . 2]"
217 . 1 185 ALA C 1 186 ALA N 1 186 ALA CA 1 186 ALA C -83.20 -43.20 -62.03 -45.70 -46.90 . . 0 "[ . 1 . 2]"
218 . 1 186 ALA N 1 186 ALA CA 1 186 ALA C 1 187 LEU N -62.30 -22.30 -37.18 -47.10 -26.53 . . 0 "[ . 1 . 2]"
219 . 1 186 ALA C 1 187 LEU N 1 187 LEU CA 1 187 LEU C -84.50 -44.50 -69.26 -82.65 -63.63 . . 0 "[ . 1 . 2]"
220 . 1 187 LEU N 1 187 LEU CA 1 187 LEU C 1 188 VAL N -63.90 -23.90 -51.45 -62.12 -40.78 . . 0 "[ . 1 . 2]"
221 . 1 187 LEU C 1 188 VAL N 1 188 VAL CA 1 188 VAL C -90.10 -48.90 -72.17 -84.03 -85.66 0.56 13 0 "[ . 1 . 2]"
222 . 1 188 VAL N 1 188 VAL CA 1 188 VAL C 1 189 HIS N -60.10 -20.10 -28.93 -23.74 -26.43 . . 0 "[ . 1 . 2]"
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